USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 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 55 THR OG1 : rot 127:sc= 0.108 USER MOD Set 1.2: A 57 SER OG : rot -80:sc= 1.26 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.27 (180deg=2.23) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 0.289 (180deg=-0.695) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0397 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 22 THR OG1 : rot 100:sc= 0.831 USER MOD Single : A 25 ASN : amide:sc= 0.877 K(o=0.88,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 1.06 (180deg=0.83) USER MOD Single : A 29 LYS NZ :NH3+ 144:sc= 1.28 (180deg=1.08) USER MOD Single : A 31 GLN : amide:sc= -0.592 X(o=-0.59,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.2) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 1.36 K(o=1.4,f=-3.3!) USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 1.2 (180deg=0.477) USER MOD Single : A 49 GLN : amide:sc= 1.86 K(o=1.9,f=-3.8!) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.403 USER MOD Single : A 60 ASN : amide:sc= -0.0603 X(o=-0.06,f=-0.082) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 77:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0641 X(o=-0.064,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.088 52.041 19.610 1.00 0.00 N ATOM 2 CA MET A 1 33.311 52.371 21.025 1.00 0.00 C ATOM 3 C MET A 1 34.786 52.686 21.280 1.00 0.00 C ATOM 4 O MET A 1 35.652 52.200 20.556 1.00 0.00 O ATOM 5 CB MET A 1 32.808 51.276 21.962 1.00 0.00 C ATOM 6 CG MET A 1 33.543 49.942 21.859 1.00 0.00 C ATOM 7 SD MET A 1 33.086 48.754 23.146 1.00 0.00 S ATOM 8 CE MET A 1 34.197 47.380 22.753 1.00 0.00 C ATOM 0 H1 MET A 1 32.088 51.797 19.464 1.00 0.00 H new ATOM 0 H2 MET A 1 33.335 52.861 19.019 1.00 0.00 H new ATOM 0 H3 MET A 1 33.684 51.231 19.344 1.00 0.00 H new ATOM 0 HA MET A 1 32.725 53.263 21.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.884 51.636 22.988 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.750 51.106 21.761 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.341 49.501 20.883 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.616 50.124 21.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.035 46.567 23.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.995 47.026 21.742 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.231 47.718 22.819 1.00 0.00 H new ATOM 20 N GLN A 2 35.069 53.461 22.324 1.00 0.00 N ATOM 21 CA GLN A 2 36.412 53.829 22.725 1.00 0.00 C ATOM 22 C GLN A 2 36.964 52.888 23.798 1.00 0.00 C ATOM 23 O GLN A 2 36.259 52.527 24.737 1.00 0.00 O ATOM 24 CB GLN A 2 36.411 55.290 23.165 1.00 0.00 C ATOM 25 CG GLN A 2 37.788 55.833 23.539 1.00 0.00 C ATOM 26 CD GLN A 2 37.860 57.354 23.386 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.706 58.133 24.324 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.062 57.848 22.168 1.00 0.00 N ATOM 0 H GLN A 2 34.347 53.857 22.926 1.00 0.00 H new ATOM 0 HA GLN A 2 37.087 53.723 21.876 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.999 55.899 22.361 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.745 55.399 24.021 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.019 55.560 24.569 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.546 55.368 22.908 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.192 57.217 21.377 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.087 58.858 22.025 1.00 0.00 H new ATOM 37 N ILE A 3 38.242 52.544 23.665 1.00 0.00 N ATOM 38 CA ILE A 3 39.056 51.940 24.699 1.00 0.00 C ATOM 39 C ILE A 3 40.391 52.681 24.798 1.00 0.00 C ATOM 40 O ILE A 3 40.745 53.442 23.900 1.00 0.00 O ATOM 41 CB ILE A 3 39.243 50.439 24.491 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.978 50.110 23.195 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.913 49.697 24.601 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.434 48.658 23.076 1.00 0.00 C ATOM 0 H ILE A 3 38.754 52.687 22.795 1.00 0.00 H new ATOM 0 HA ILE A 3 38.532 52.039 25.650 1.00 0.00 H new ATOM 0 HB ILE A 3 39.886 50.085 25.297 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.326 50.343 22.353 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.850 50.759 23.112 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.078 48.630 24.448 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.486 49.860 25.590 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.225 50.070 23.843 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.947 48.514 22.125 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.114 48.422 23.894 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.567 47.999 23.124 1.00 0.00 H new ATOM 56 N PHE A 4 41.149 52.420 25.859 1.00 0.00 N ATOM 57 CA PHE A 4 42.449 53.009 26.107 1.00 0.00 C ATOM 58 C PHE A 4 43.531 51.933 26.210 1.00 0.00 C ATOM 59 O PHE A 4 43.272 50.851 26.733 1.00 0.00 O ATOM 60 CB PHE A 4 42.382 53.855 27.375 1.00 0.00 C ATOM 61 CG PHE A 4 41.390 54.991 27.318 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.787 56.245 26.835 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.074 54.801 27.756 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.869 57.301 26.787 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.154 55.854 27.695 1.00 0.00 C ATOM 66 CZ PHE A 4 39.547 57.106 27.206 1.00 0.00 C ATOM 0 H PHE A 4 40.860 51.770 26.590 1.00 0.00 H new ATOM 0 HA PHE A 4 42.719 53.650 25.268 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.127 53.209 28.215 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.372 54.264 27.577 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.802 56.397 26.499 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.768 53.840 28.142 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.182 58.270 26.426 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.138 55.700 28.026 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.835 57.916 27.152 1.00 0.00 H new ATOM 76 N VAL A 5 44.749 52.198 25.743 1.00 0.00 N ATOM 77 CA VAL A 5 45.865 51.279 25.828 1.00 0.00 C ATOM 78 C VAL A 5 47.109 51.971 26.388 1.00 0.00 C ATOM 79 O VAL A 5 47.593 52.935 25.799 1.00 0.00 O ATOM 80 CB VAL A 5 46.168 50.615 24.487 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.303 49.602 24.607 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.949 49.866 23.955 1.00 0.00 C ATOM 0 H VAL A 5 44.985 53.079 25.286 1.00 0.00 H new ATOM 0 HA VAL A 5 45.573 50.489 26.520 1.00 0.00 H new ATOM 0 HB VAL A 5 46.451 51.419 23.807 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.491 49.149 23.633 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.205 50.106 24.953 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.024 48.826 25.320 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.195 49.403 22.999 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.657 49.094 24.667 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.124 50.565 23.818 1.00 0.00 H new ATOM 92 N LYS A 6 47.648 51.469 27.496 1.00 0.00 N ATOM 93 CA LYS A 6 48.911 51.909 28.055 1.00 0.00 C ATOM 94 C LYS A 6 50.081 51.248 27.325 1.00 0.00 C ATOM 95 O LYS A 6 50.214 50.026 27.332 1.00 0.00 O ATOM 96 CB LYS A 6 48.955 51.715 29.568 1.00 0.00 C ATOM 97 CG LYS A 6 50.270 52.251 30.126 1.00 0.00 C ATOM 98 CD LYS A 6 50.323 52.399 31.644 1.00 0.00 C ATOM 99 CE LYS A 6 49.377 53.489 32.140 1.00 0.00 C ATOM 100 NZ LYS A 6 49.735 53.928 33.498 1.00 0.00 N ATOM 0 H LYS A 6 47.204 50.728 28.038 1.00 0.00 H new ATOM 0 HA LYS A 6 49.007 52.983 27.895 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.116 52.232 30.033 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.852 50.657 29.810 1.00 0.00 H new ATOM 0 HG2 LYS A 6 51.076 51.586 29.814 1.00 0.00 H new ATOM 0 HG3 LYS A 6 50.467 53.224 29.676 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.061 51.450 32.111 1.00 0.00 H new ATOM 0 HD3 LYS A 6 51.342 52.635 31.951 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.410 54.340 31.460 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.353 53.116 32.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.075 54.669 33.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.680 53.120 34.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.704 54.306 33.497 1.00 0.00 H new ATOM 168 N LYS A 11 52.758 56.203 28.492 1.00 0.00 N ATOM 169 CA LYS A 11 51.859 56.950 27.634 1.00 0.00 C ATOM 170 C LYS A 11 50.624 56.108 27.306 1.00 0.00 C ATOM 171 O LYS A 11 50.777 54.964 26.882 1.00 0.00 O ATOM 172 CB LYS A 11 52.645 57.335 26.384 1.00 0.00 C ATOM 173 CG LYS A 11 51.820 57.941 25.252 1.00 0.00 C ATOM 174 CD LYS A 11 52.599 58.126 23.954 1.00 0.00 C ATOM 175 CE LYS A 11 52.752 56.866 23.106 1.00 0.00 C ATOM 176 NZ LYS A 11 53.836 55.968 23.533 1.00 0.00 N ATOM 0 HA LYS A 11 51.495 57.853 28.124 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.420 58.047 26.668 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.152 56.447 26.006 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.959 57.301 25.060 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.433 58.908 25.574 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.102 58.890 23.356 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.592 58.506 24.195 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.812 56.314 23.126 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.928 57.160 22.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.177 55.422 22.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.619 56.530 23.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.480 55.316 24.261 1.00 0.00 H new ATOM 190 N THR A 12 49.427 56.673 27.429 1.00 0.00 N ATOM 191 CA THR A 12 48.189 55.982 27.129 1.00 0.00 C ATOM 192 C THR A 12 47.529 56.535 25.863 1.00 0.00 C ATOM 193 O THR A 12 47.358 57.747 25.750 1.00 0.00 O ATOM 194 CB THR A 12 47.220 56.004 28.308 1.00 0.00 C ATOM 195 OG1 THR A 12 47.892 55.669 29.502 1.00 0.00 O ATOM 196 CG2 THR A 12 46.096 54.985 28.142 1.00 0.00 C ATOM 0 H THR A 12 49.294 57.634 27.744 1.00 0.00 H new ATOM 0 HA THR A 12 48.448 54.940 26.942 1.00 0.00 H new ATOM 0 HB THR A 12 46.809 57.013 28.346 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.259 55.689 30.250 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.430 55.035 29.003 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.534 55.208 27.235 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.520 53.984 28.069 1.00 0.00 H new ATOM 204 N ILE A 13 47.147 55.675 24.923 1.00 0.00 N ATOM 205 CA ILE A 13 46.532 56.036 23.661 1.00 0.00 C ATOM 206 C ILE A 13 45.068 55.594 23.595 1.00 0.00 C ATOM 207 O ILE A 13 44.703 54.569 24.167 1.00 0.00 O ATOM 208 CB ILE A 13 47.337 55.518 22.473 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.380 53.996 22.377 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.741 56.115 22.492 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.053 53.457 21.118 1.00 0.00 C ATOM 0 H ILE A 13 47.265 54.667 25.030 1.00 0.00 H new ATOM 0 HA ILE A 13 46.538 57.124 23.600 1.00 0.00 H new ATOM 0 HB ILE A 13 46.817 55.848 21.573 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.904 53.605 23.249 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.360 53.614 22.420 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.308 55.739 21.640 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.675 57.201 22.433 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.244 55.831 23.416 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.038 52.367 21.135 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.517 53.814 20.238 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.085 53.805 21.080 1.00 0.00 H new ATOM 223 N THR A 14 44.235 56.333 22.868 1.00 0.00 N ATOM 224 CA THR A 14 42.875 55.959 22.536 1.00 0.00 C ATOM 225 C THR A 14 42.829 55.043 21.311 1.00 0.00 C ATOM 226 O THR A 14 43.600 55.236 20.373 1.00 0.00 O ATOM 227 CB THR A 14 41.999 57.180 22.272 1.00 0.00 C ATOM 228 OG1 THR A 14 42.690 58.213 21.606 1.00 0.00 O ATOM 229 CG2 THR A 14 41.467 57.775 23.572 1.00 0.00 C ATOM 0 H THR A 14 44.503 57.239 22.483 1.00 0.00 H new ATOM 0 HA THR A 14 42.486 55.424 23.402 1.00 0.00 H new ATOM 0 HB THR A 14 41.187 56.814 21.644 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.085 58.970 21.460 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.847 58.643 23.348 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.870 57.029 24.096 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.303 58.079 24.202 1.00 0.00 H new ATOM 237 N LEU A 15 41.899 54.093 21.288 1.00 0.00 N ATOM 238 CA LEU A 15 41.539 53.314 20.120 1.00 0.00 C ATOM 239 C LEU A 15 40.029 53.335 19.873 1.00 0.00 C ATOM 240 O LEU A 15 39.245 53.525 20.800 1.00 0.00 O ATOM 241 CB LEU A 15 42.020 51.873 20.255 1.00 0.00 C ATOM 242 CG LEU A 15 43.517 51.652 20.447 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.775 50.161 20.638 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.335 52.095 19.237 1.00 0.00 C ATOM 0 H LEU A 15 41.359 53.840 22.115 1.00 0.00 H new ATOM 0 HA LEU A 15 42.033 53.774 19.264 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.501 51.422 21.100 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.710 51.329 19.363 1.00 0.00 H new ATOM 0 HG LEU A 15 43.818 52.243 21.312 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.843 49.991 20.776 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.235 49.808 21.516 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.432 49.617 19.758 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.393 51.915 19.428 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.023 51.528 18.360 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.174 53.158 19.058 1.00 0.00 H new ATOM 256 N GLU A 16 39.615 53.105 18.630 1.00 0.00 N ATOM 257 CA GLU A 16 38.239 52.914 18.220 1.00 0.00 C ATOM 258 C GLU A 16 38.026 51.469 17.762 1.00 0.00 C ATOM 259 O GLU A 16 38.695 51.009 16.839 1.00 0.00 O ATOM 260 CB GLU A 16 37.902 53.926 17.130 1.00 0.00 C ATOM 261 CG GLU A 16 36.440 53.920 16.689 1.00 0.00 C ATOM 262 CD GLU A 16 35.459 54.273 17.808 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.786 55.098 18.690 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.329 53.738 17.799 1.00 0.00 O ATOM 0 H GLU A 16 40.267 53.045 17.848 1.00 0.00 H new ATOM 0 HA GLU A 16 37.563 53.084 19.058 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.156 54.924 17.487 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.531 53.729 16.262 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.314 54.628 15.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.192 52.933 16.298 1.00 0.00 H new ATOM 271 N VAL A 17 37.123 50.745 18.418 1.00 0.00 N ATOM 272 CA VAL A 17 36.870 49.331 18.232 1.00 0.00 C ATOM 273 C VAL A 17 35.377 49.017 18.333 1.00 0.00 C ATOM 274 O VAL A 17 34.604 49.854 18.795 1.00 0.00 O ATOM 275 CB VAL A 17 37.640 48.493 19.249 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.152 48.664 19.141 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.226 48.783 20.690 1.00 0.00 C ATOM 0 H VAL A 17 36.520 51.157 19.130 1.00 0.00 H new ATOM 0 HA VAL A 17 37.216 49.073 17.231 1.00 0.00 H new ATOM 0 HB VAL A 17 37.379 47.464 18.999 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.643 48.043 19.890 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.482 48.363 18.147 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.413 49.709 19.309 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.807 48.158 21.368 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.410 49.833 20.917 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.165 48.565 20.815 1.00 0.00 H new ATOM 287 N GLU A 18 34.952 47.804 17.992 1.00 0.00 N ATOM 288 CA GLU A 18 33.623 47.300 18.275 1.00 0.00 C ATOM 289 C GLU A 18 33.655 45.894 18.876 1.00 0.00 C ATOM 290 O GLU A 18 34.619 45.169 18.636 1.00 0.00 O ATOM 291 CB GLU A 18 32.766 47.336 17.013 1.00 0.00 C ATOM 292 CG GLU A 18 32.421 48.738 16.519 1.00 0.00 C ATOM 293 CD GLU A 18 31.562 49.560 17.482 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.683 48.993 18.165 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.719 50.799 17.527 1.00 0.00 O ATOM 0 H GLU A 18 35.541 47.132 17.499 1.00 0.00 H new ATOM 0 HA GLU A 18 33.175 47.952 19.024 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.290 46.804 16.219 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.840 46.794 17.203 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.347 49.279 16.327 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.897 48.655 15.567 1.00 0.00 H new ATOM 302 N PRO A 19 32.652 45.456 19.631 1.00 0.00 N ATOM 303 CA PRO A 19 32.655 44.186 20.330 1.00 0.00 C ATOM 304 C PRO A 19 32.875 42.931 19.485 1.00 0.00 C ATOM 305 O PRO A 19 33.259 41.892 20.018 1.00 0.00 O ATOM 306 CB PRO A 19 31.305 44.102 21.037 1.00 0.00 C ATOM 307 CG PRO A 19 30.958 45.564 21.304 1.00 0.00 C ATOM 308 CD PRO A 19 31.504 46.236 20.047 1.00 0.00 C ATOM 0 HA PRO A 19 33.519 44.186 20.995 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.554 43.617 20.413 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.370 43.528 21.962 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.885 45.717 21.419 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.433 45.940 22.210 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.748 46.263 19.262 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.789 47.268 20.251 1.00 0.00 H new ATOM 316 N SER A 20 32.623 43.003 18.181 1.00 0.00 N ATOM 317 CA SER A 20 32.841 41.950 17.210 1.00 0.00 C ATOM 318 C SER A 20 34.262 41.880 16.647 1.00 0.00 C ATOM 319 O SER A 20 34.577 40.920 15.948 1.00 0.00 O ATOM 320 CB SER A 20 31.837 42.111 16.072 1.00 0.00 C ATOM 321 OG SER A 20 31.883 43.414 15.534 1.00 0.00 O ATOM 0 H SER A 20 32.240 43.847 17.756 1.00 0.00 H new ATOM 0 HA SER A 20 32.697 41.009 17.741 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.051 41.383 15.289 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.832 41.900 16.437 1.00 0.00 H new ATOM 0 HG SER A 20 31.232 43.490 14.806 1.00 0.00 H new ATOM 327 N ASP A 21 35.142 42.835 16.936 1.00 0.00 N ATOM 328 CA ASP A 21 36.523 42.793 16.499 1.00 0.00 C ATOM 329 C ASP A 21 37.299 41.660 17.173 1.00 0.00 C ATOM 330 O ASP A 21 37.207 41.466 18.383 1.00 0.00 O ATOM 331 CB ASP A 21 37.220 44.128 16.749 1.00 0.00 C ATOM 332 CG ASP A 21 36.926 45.168 15.665 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.062 44.817 14.472 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.674 46.350 15.980 1.00 0.00 O ATOM 0 H ASP A 21 34.909 43.663 17.484 1.00 0.00 H new ATOM 0 HA ASP A 21 36.510 42.600 15.426 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.906 44.520 17.716 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.296 43.965 16.806 1.00 0.00 H new ATOM 339 N THR A 22 38.111 40.947 16.398 1.00 0.00 N ATOM 340 CA THR A 22 39.079 40.009 16.928 1.00 0.00 C ATOM 341 C THR A 22 40.371 40.717 17.342 1.00 0.00 C ATOM 342 O THR A 22 40.672 41.797 16.837 1.00 0.00 O ATOM 343 CB THR A 22 39.340 38.790 16.047 1.00 0.00 C ATOM 344 OG1 THR A 22 39.930 39.119 14.809 1.00 0.00 O ATOM 345 CG2 THR A 22 38.100 37.955 15.745 1.00 0.00 C ATOM 0 H THR A 22 38.111 41.009 15.380 1.00 0.00 H new ATOM 0 HA THR A 22 38.617 39.594 17.824 1.00 0.00 H new ATOM 0 HB THR A 22 40.028 38.201 16.654 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.894 38.950 14.851 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.375 37.110 15.114 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.673 37.587 16.678 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.364 38.570 15.227 1.00 0.00 H new ATOM 353 N ILE A 23 41.131 40.147 18.272 1.00 0.00 N ATOM 354 CA ILE A 23 42.221 40.841 18.927 1.00 0.00 C ATOM 355 C ILE A 23 43.301 41.320 17.956 1.00 0.00 C ATOM 356 O ILE A 23 43.891 42.376 18.177 1.00 0.00 O ATOM 357 CB ILE A 23 42.798 40.004 20.066 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.761 39.390 21.002 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.775 40.812 20.916 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.730 40.337 21.612 1.00 0.00 C ATOM 0 H ILE A 23 41.003 39.186 18.590 1.00 0.00 H new ATOM 0 HA ILE A 23 41.800 41.748 19.360 1.00 0.00 H new ATOM 0 HB ILE A 23 43.304 39.186 19.552 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.226 38.615 20.453 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.291 38.896 21.817 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.166 40.184 21.717 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.599 41.159 20.292 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.259 41.670 21.347 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.054 39.774 22.255 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.240 41.100 22.201 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.159 40.815 20.816 1.00 0.00 H new ATOM 372 N GLU A 24 43.518 40.643 16.833 1.00 0.00 N ATOM 373 CA GLU A 24 44.464 41.065 15.820 1.00 0.00 C ATOM 374 C GLU A 24 44.097 42.410 15.192 1.00 0.00 C ATOM 375 O GLU A 24 44.988 43.173 14.823 1.00 0.00 O ATOM 376 CB GLU A 24 44.637 40.046 14.698 1.00 0.00 C ATOM 377 CG GLU A 24 44.608 38.568 15.077 1.00 0.00 C ATOM 378 CD GLU A 24 43.188 38.020 14.923 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.344 38.281 15.808 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.891 37.364 13.901 1.00 0.00 O ATOM 0 H GLU A 24 43.033 39.776 16.603 1.00 0.00 H new ATOM 0 HA GLU A 24 45.406 41.161 16.360 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.852 40.220 13.962 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.587 40.248 14.204 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.295 38.007 14.443 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.947 38.440 16.105 1.00 0.00 H new ATOM 387 N ASN A 25 42.811 42.735 15.098 1.00 0.00 N ATOM 388 CA ASN A 25 42.339 44.002 14.578 1.00 0.00 C ATOM 389 C ASN A 25 42.770 45.157 15.484 1.00 0.00 C ATOM 390 O ASN A 25 43.130 46.231 15.007 1.00 0.00 O ATOM 391 CB ASN A 25 40.817 44.005 14.464 1.00 0.00 C ATOM 392 CG ASN A 25 40.209 42.886 13.616 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.880 42.101 12.949 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.882 42.804 13.588 1.00 0.00 N ATOM 0 H ASN A 25 42.059 42.110 15.388 1.00 0.00 H new ATOM 0 HA ASN A 25 42.779 44.135 13.589 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.397 43.943 15.468 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.505 44.962 14.046 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.427 42.093 13.016 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.319 43.452 14.139 1.00 0.00 H new ATOM 401 N VAL A 26 42.767 44.914 16.791 1.00 0.00 N ATOM 402 CA VAL A 26 43.163 45.865 17.812 1.00 0.00 C ATOM 403 C VAL A 26 44.688 45.995 17.833 1.00 0.00 C ATOM 404 O VAL A 26 45.204 47.110 17.806 1.00 0.00 O ATOM 405 CB VAL A 26 42.618 45.475 19.182 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.832 46.594 20.198 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.124 45.163 19.141 1.00 0.00 C ATOM 0 H VAL A 26 42.477 44.015 17.177 1.00 0.00 H new ATOM 0 HA VAL A 26 42.733 46.836 17.567 1.00 0.00 H new ATOM 0 HB VAL A 26 43.166 44.581 19.478 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.434 46.288 21.165 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.898 46.800 20.293 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.317 47.494 19.862 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.782 44.891 20.139 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.578 46.042 18.797 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.944 44.334 18.457 1.00 0.00 H new ATOM 417 N LYS A 27 45.414 44.884 17.761 1.00 0.00 N ATOM 418 CA LYS A 27 46.861 44.856 17.691 1.00 0.00 C ATOM 419 C LYS A 27 47.393 45.523 16.421 1.00 0.00 C ATOM 420 O LYS A 27 48.386 46.244 16.480 1.00 0.00 O ATOM 421 CB LYS A 27 47.349 43.423 17.880 1.00 0.00 C ATOM 422 CG LYS A 27 47.092 42.901 19.290 1.00 0.00 C ATOM 423 CD LYS A 27 47.222 41.388 19.444 1.00 0.00 C ATOM 424 CE LYS A 27 48.630 40.856 19.195 1.00 0.00 C ATOM 425 NZ LYS A 27 48.676 39.390 19.300 1.00 0.00 N ATOM 0 H LYS A 27 44.995 43.954 17.750 1.00 0.00 H new ATOM 0 HA LYS A 27 47.270 45.455 18.505 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.851 42.775 17.159 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.417 43.375 17.667 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.790 43.383 19.974 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.089 43.199 19.596 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.912 41.108 20.451 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.534 40.903 18.752 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.966 41.162 18.204 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.319 41.296 19.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.539 39.036 18.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.680 39.114 20.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 47.841 38.982 18.832 1.00 0.00 H new ATOM 439 N ALA A 28 46.696 45.409 15.293 1.00 0.00 N ATOM 440 CA ALA A 28 46.996 46.143 14.080 1.00 0.00 C ATOM 441 C ALA A 28 46.659 47.633 14.154 1.00 0.00 C ATOM 442 O ALA A 28 47.336 48.441 13.523 1.00 0.00 O ATOM 443 CB ALA A 28 46.290 45.464 12.909 1.00 0.00 C ATOM 0 H ALA A 28 45.891 44.789 15.201 1.00 0.00 H new ATOM 0 HA ALA A 28 48.076 46.115 13.936 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.507 46.007 11.989 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.644 44.437 12.817 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.214 45.463 13.084 1.00 0.00 H new ATOM 449 N LYS A 29 45.683 48.043 14.960 1.00 0.00 N ATOM 450 CA LYS A 29 45.409 49.435 15.252 1.00 0.00 C ATOM 451 C LYS A 29 46.426 50.052 16.214 1.00 0.00 C ATOM 452 O LYS A 29 46.747 51.229 16.065 1.00 0.00 O ATOM 453 CB LYS A 29 43.972 49.582 15.746 1.00 0.00 C ATOM 454 CG LYS A 29 43.009 49.747 14.575 1.00 0.00 C ATOM 455 CD LYS A 29 41.557 49.824 15.036 1.00 0.00 C ATOM 456 CE LYS A 29 40.687 50.332 13.889 1.00 0.00 C ATOM 457 NZ LYS A 29 39.260 50.331 14.245 1.00 0.00 N ATOM 0 H LYS A 29 45.051 47.398 15.435 1.00 0.00 H new ATOM 0 HA LYS A 29 45.517 50.003 14.328 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.693 48.706 16.331 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.897 50.445 16.408 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.262 50.652 14.022 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.127 48.909 13.888 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.214 48.841 15.359 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.471 50.490 15.895 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.994 51.343 13.620 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.843 49.707 13.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.793 51.153 13.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.816 49.457 13.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.160 50.382 15.279 1.00 0.00 H new ATOM 471 N ILE A 30 46.990 49.263 17.124 1.00 0.00 N ATOM 472 CA ILE A 30 48.141 49.624 17.927 1.00 0.00 C ATOM 473 C ILE A 30 49.385 49.755 17.046 1.00 0.00 C ATOM 474 O ILE A 30 50.099 50.747 17.171 1.00 0.00 O ATOM 475 CB ILE A 30 48.351 48.644 19.078 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.197 48.712 20.074 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.668 48.900 19.805 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.126 47.540 21.048 1.00 0.00 C ATOM 0 H ILE A 30 46.643 48.325 17.325 1.00 0.00 H new ATOM 0 HA ILE A 30 47.952 50.597 18.381 1.00 0.00 H new ATOM 0 HB ILE A 30 48.387 47.646 18.640 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.282 49.637 20.645 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.260 48.764 19.520 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.781 48.182 20.617 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.497 48.790 19.106 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.668 49.911 20.212 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.276 47.674 21.717 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.007 46.611 20.491 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.045 47.497 21.633 1.00 0.00 H new ATOM 490 N GLN A 31 49.627 48.843 16.107 1.00 0.00 N ATOM 491 CA GLN A 31 50.715 48.938 15.155 1.00 0.00 C ATOM 492 C GLN A 31 50.680 50.260 14.385 1.00 0.00 C ATOM 493 O GLN A 31 51.714 50.901 14.202 1.00 0.00 O ATOM 494 CB GLN A 31 50.655 47.746 14.204 1.00 0.00 C ATOM 495 CG GLN A 31 51.829 47.671 13.232 1.00 0.00 C ATOM 496 CD GLN A 31 51.703 46.549 12.199 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.621 46.086 11.844 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.829 46.070 11.679 1.00 0.00 N ATOM 0 H GLN A 31 49.058 48.005 15.990 1.00 0.00 H new ATOM 0 HA GLN A 31 51.659 48.918 15.700 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.622 46.827 14.790 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.727 47.794 13.634 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.919 48.624 12.711 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.749 47.529 13.798 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.729 46.452 11.971 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.793 45.321 10.988 1.00 0.00 H new ATOM 507 N ASP A 32 49.500 50.719 13.980 1.00 0.00 N ATOM 508 CA ASP A 32 49.332 51.948 13.230 1.00 0.00 C ATOM 509 C ASP A 32 49.517 53.229 14.045 1.00 0.00 C ATOM 510 O ASP A 32 49.723 54.297 13.472 1.00 0.00 O ATOM 511 CB ASP A 32 47.973 51.892 12.536 1.00 0.00 C ATOM 512 CG ASP A 32 47.911 52.649 11.209 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.955 52.830 10.543 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.784 52.981 10.781 1.00 0.00 O ATOM 0 H ASP A 32 48.622 50.235 14.170 1.00 0.00 H new ATOM 0 HA ASP A 32 50.136 52.006 12.496 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.712 50.849 12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.218 52.299 13.208 1.00 0.00 H new ATOM 519 N LYS A 33 49.489 53.148 15.372 1.00 0.00 N ATOM 520 CA LYS A 33 49.697 54.255 16.283 1.00 0.00 C ATOM 521 C LYS A 33 51.023 54.252 17.048 1.00 0.00 C ATOM 522 O LYS A 33 51.447 55.317 17.490 1.00 0.00 O ATOM 523 CB LYS A 33 48.541 54.338 17.276 1.00 0.00 C ATOM 524 CG LYS A 33 47.325 55.033 16.669 1.00 0.00 C ATOM 525 CD LYS A 33 46.311 55.376 17.756 1.00 0.00 C ATOM 526 CE LYS A 33 45.176 56.230 17.200 1.00 0.00 C ATOM 527 NZ LYS A 33 44.427 56.872 18.293 1.00 0.00 N ATOM 0 H LYS A 33 49.313 52.268 15.857 1.00 0.00 H new ATOM 0 HA LYS A 33 49.740 55.134 15.639 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.264 53.334 17.597 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.863 54.879 18.166 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.637 55.942 16.154 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.863 54.386 15.923 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.905 54.458 18.181 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.808 55.910 18.566 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.580 56.991 16.533 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.504 55.610 16.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.618 57.394 17.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.083 56.145 18.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.051 57.531 18.801 1.00 0.00 H new ATOM 541 N GLU A 34 51.649 53.093 17.234 1.00 0.00 N ATOM 542 CA GLU A 34 52.798 52.899 18.095 1.00 0.00 C ATOM 543 C GLU A 34 53.937 52.124 17.431 1.00 0.00 C ATOM 544 O GLU A 34 55.039 52.076 17.973 1.00 0.00 O ATOM 545 CB GLU A 34 52.303 52.263 19.390 1.00 0.00 C ATOM 546 CG GLU A 34 53.271 52.192 20.568 1.00 0.00 C ATOM 547 CD GLU A 34 53.678 53.534 21.179 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.313 54.624 20.686 1.00 0.00 O ATOM 549 OE2 GLU A 34 54.367 53.536 22.223 1.00 0.00 O ATOM 0 H GLU A 34 51.354 52.235 16.769 1.00 0.00 H new ATOM 0 HA GLU A 34 53.254 53.865 18.314 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.420 52.813 19.716 1.00 0.00 H new ATOM 0 HB3 GLU A 34 51.980 51.247 19.161 1.00 0.00 H new ATOM 0 HG2 GLU A 34 52.818 51.581 21.349 1.00 0.00 H new ATOM 0 HG3 GLU A 34 54.173 51.675 20.242 1.00 0.00 H new ATOM 556 N GLY A 35 53.734 51.563 16.242 1.00 0.00 N ATOM 557 CA GLY A 35 54.768 51.012 15.389 1.00 0.00 C ATOM 558 C GLY A 35 55.158 49.553 15.639 1.00 0.00 C ATOM 559 O GLY A 35 55.809 48.954 14.786 1.00 0.00 O ATOM 0 H GLY A 35 52.803 51.479 15.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.440 51.104 14.354 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.662 51.627 15.497 1.00 0.00 H new ATOM 563 N ILE A 36 54.746 48.959 16.755 1.00 0.00 N ATOM 564 CA ILE A 36 55.093 47.611 17.159 1.00 0.00 C ATOM 565 C ILE A 36 54.267 46.559 16.418 1.00 0.00 C ATOM 566 O ILE A 36 53.041 46.648 16.455 1.00 0.00 O ATOM 567 CB ILE A 36 55.043 47.487 18.679 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.427 46.076 19.118 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.721 47.927 19.300 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.713 45.928 20.609 1.00 0.00 C ATOM 0 H ILE A 36 54.137 49.427 17.426 1.00 0.00 H new ATOM 0 HA ILE A 36 56.122 47.407 16.864 1.00 0.00 H new ATOM 0 HB ILE A 36 55.782 48.191 19.062 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.621 45.394 18.847 1.00 0.00 H new ATOM 0 HG13 ILE A 36 56.310 45.764 18.560 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.770 47.807 20.382 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.536 48.974 19.059 1.00 0.00 H new ATOM 0 HG23 ILE A 36 52.911 47.315 18.903 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.977 44.893 20.828 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.541 46.580 20.887 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.826 46.204 21.179 1.00 0.00 H new ATOM 582 N PRO A 37 54.853 45.563 15.758 1.00 0.00 N ATOM 583 CA PRO A 37 54.107 44.544 15.049 1.00 0.00 C ATOM 584 C PRO A 37 53.199 43.699 15.945 1.00 0.00 C ATOM 585 O PRO A 37 53.581 43.428 17.081 1.00 0.00 O ATOM 586 CB PRO A 37 55.127 43.650 14.348 1.00 0.00 C ATOM 587 CG PRO A 37 56.349 44.554 14.216 1.00 0.00 C ATOM 588 CD PRO A 37 56.267 45.418 15.472 1.00 0.00 C ATOM 0 HA PRO A 37 53.435 45.039 14.347 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.348 42.757 14.932 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.767 43.314 13.375 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.275 43.980 14.180 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.311 45.156 13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.789 44.947 16.305 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.735 46.389 15.310 1.00 0.00 H new ATOM 596 N PRO A 38 52.048 43.230 15.473 1.00 0.00 N ATOM 597 CA PRO A 38 51.103 42.481 16.277 1.00 0.00 C ATOM 598 C PRO A 38 51.677 41.283 17.034 1.00 0.00 C ATOM 599 O PRO A 38 51.357 41.108 18.208 1.00 0.00 O ATOM 600 CB PRO A 38 49.996 42.049 15.320 1.00 0.00 C ATOM 601 CG PRO A 38 49.981 43.170 14.285 1.00 0.00 C ATOM 602 CD PRO A 38 51.457 43.546 14.187 1.00 0.00 C ATOM 0 HA PRO A 38 50.749 43.125 17.082 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.210 41.082 14.865 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.036 41.956 15.828 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.583 42.834 13.328 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.368 44.012 14.607 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.947 42.990 13.388 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.573 44.605 13.956 1.00 0.00 H new ATOM 610 N ASP A 39 52.561 40.488 16.438 1.00 0.00 N ATOM 611 CA ASP A 39 53.123 39.316 17.080 1.00 0.00 C ATOM 612 C ASP A 39 54.087 39.618 18.228 1.00 0.00 C ATOM 613 O ASP A 39 54.427 38.711 18.983 1.00 0.00 O ATOM 614 CB ASP A 39 53.713 38.351 16.055 1.00 0.00 C ATOM 615 CG ASP A 39 55.118 38.735 15.584 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.257 39.408 14.541 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.099 38.319 16.239 1.00 0.00 O ATOM 0 H ASP A 39 52.906 40.644 15.491 1.00 0.00 H new ATOM 0 HA ASP A 39 52.284 38.818 17.565 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.745 37.351 16.488 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.050 38.303 15.191 1.00 0.00 H new ATOM 622 N GLN A 40 54.490 40.876 18.382 1.00 0.00 N ATOM 623 CA GLN A 40 55.300 41.379 19.473 1.00 0.00 C ATOM 624 C GLN A 40 54.476 41.966 20.620 1.00 0.00 C ATOM 625 O GLN A 40 55.042 42.359 21.637 1.00 0.00 O ATOM 626 CB GLN A 40 56.299 42.409 18.952 1.00 0.00 C ATOM 627 CG GLN A 40 57.174 41.877 17.821 1.00 0.00 C ATOM 628 CD GLN A 40 58.322 42.816 17.442 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.777 43.656 18.213 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.857 42.713 16.228 1.00 0.00 N ATOM 0 H GLN A 40 54.245 41.605 17.712 1.00 0.00 H new ATOM 0 HA GLN A 40 55.833 40.523 19.887 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.757 43.287 18.601 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.937 42.735 19.774 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.587 40.912 18.115 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.552 41.703 16.943 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.497 42.023 15.569 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.627 43.324 15.957 1.00 0.00 H new ATOM 639 N GLN A 41 53.151 42.009 20.500 1.00 0.00 N ATOM 640 CA GLN A 41 52.254 42.593 21.476 1.00 0.00 C ATOM 641 C GLN A 41 51.565 41.522 22.325 1.00 0.00 C ATOM 642 O GLN A 41 50.933 40.626 21.772 1.00 0.00 O ATOM 643 CB GLN A 41 51.202 43.448 20.774 1.00 0.00 C ATOM 644 CG GLN A 41 51.725 44.623 19.954 1.00 0.00 C ATOM 645 CD GLN A 41 50.583 45.306 19.199 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.449 45.380 19.665 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.793 45.810 17.987 1.00 0.00 N ATOM 0 H GLN A 41 52.663 41.624 19.691 1.00 0.00 H new ATOM 0 HA GLN A 41 52.851 43.217 22.141 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.620 42.803 20.115 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.517 43.835 21.528 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.215 45.342 20.611 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.477 44.273 19.247 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.723 45.765 17.570 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.024 46.241 17.474 1.00 0.00 H new ATOM 656 N ARG A 42 51.630 41.631 23.649 1.00 0.00 N ATOM 657 CA ARG A 42 50.964 40.748 24.585 1.00 0.00 C ATOM 658 C ARG A 42 50.008 41.524 25.494 1.00 0.00 C ATOM 659 O ARG A 42 50.405 42.479 26.158 1.00 0.00 O ATOM 660 CB ARG A 42 52.023 39.981 25.372 1.00 0.00 C ATOM 661 CG ARG A 42 51.468 38.812 26.180 1.00 0.00 C ATOM 662 CD ARG A 42 52.624 38.135 26.911 1.00 0.00 C ATOM 663 NE ARG A 42 52.206 36.890 27.555 1.00 0.00 N ATOM 664 CZ ARG A 42 52.960 36.121 28.353 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.218 36.456 28.668 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.454 34.985 28.854 1.00 0.00 N ATOM 0 H ARG A 42 52.168 42.365 24.110 1.00 0.00 H new ATOM 0 HA ARG A 42 50.346 40.031 24.044 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.776 39.606 24.679 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.528 40.670 26.049 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.723 39.165 26.894 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.968 38.101 25.523 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.428 37.927 26.205 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.027 38.815 27.662 1.00 0.00 H new ATOM 0 HE ARG A 42 51.251 36.578 27.380 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.625 37.315 28.298 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.769 35.852 29.278 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.499 34.709 28.627 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.024 34.397 29.462 1.00 0.00 H new ATOM 680 N LEU A 43 48.751 41.093 25.539 1.00 0.00 N ATOM 681 CA LEU A 43 47.661 41.788 26.193 1.00 0.00 C ATOM 682 C LEU A 43 46.962 40.877 27.204 1.00 0.00 C ATOM 683 O LEU A 43 46.350 39.883 26.818 1.00 0.00 O ATOM 684 CB LEU A 43 46.685 42.281 25.127 1.00 0.00 C ATOM 685 CG LEU A 43 47.219 43.311 24.137 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.169 43.591 23.065 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.575 44.639 24.798 1.00 0.00 C ATOM 0 H LEU A 43 48.459 40.218 25.104 1.00 0.00 H new ATOM 0 HA LEU A 43 48.051 42.642 26.747 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.332 41.418 24.563 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.818 42.710 25.630 1.00 0.00 H new ATOM 0 HG LEU A 43 48.126 42.884 23.709 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.556 44.327 22.361 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.936 42.668 22.534 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.264 43.978 23.534 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.949 45.332 24.044 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.687 45.060 25.269 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.343 44.475 25.553 1.00 0.00 H new ATOM 699 N ILE A 44 47.034 41.222 28.486 1.00 0.00 N ATOM 700 CA ILE A 44 46.332 40.573 29.575 1.00 0.00 C ATOM 701 C ILE A 44 45.187 41.452 30.079 1.00 0.00 C ATOM 702 O ILE A 44 45.333 42.669 30.172 1.00 0.00 O ATOM 703 CB ILE A 44 47.294 40.187 30.695 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.573 39.482 30.250 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.585 39.343 31.750 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.401 38.187 29.461 1.00 0.00 C ATOM 0 H ILE A 44 47.613 42.000 28.803 1.00 0.00 H new ATOM 0 HA ILE A 44 45.893 39.649 29.200 1.00 0.00 H new ATOM 0 HB ILE A 44 47.616 41.141 31.113 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.151 40.177 29.641 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.168 39.264 31.137 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.290 39.079 32.539 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.759 39.912 32.177 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.199 38.434 31.289 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.381 37.785 29.204 1.00 0.00 H new ATOM 0 HD12 ILE A 44 47.858 37.461 30.067 1.00 0.00 H new ATOM 0 HD13 ILE A 44 47.841 38.389 28.548 1.00 0.00 H new ATOM 718 N PHE A 45 44.050 40.849 30.417 1.00 0.00 N ATOM 719 CA PHE A 45 42.871 41.469 30.986 1.00 0.00 C ATOM 720 C PHE A 45 42.166 40.510 31.947 1.00 0.00 C ATOM 721 O PHE A 45 41.880 39.375 31.574 1.00 0.00 O ATOM 722 CB PHE A 45 41.937 41.857 29.843 1.00 0.00 C ATOM 723 CG PHE A 45 40.615 42.463 30.250 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.575 43.732 30.840 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.421 41.777 30.008 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.348 44.319 31.171 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.193 42.365 30.334 1.00 0.00 C ATOM 728 CZ PHE A 45 38.152 43.639 30.915 1.00 0.00 C ATOM 0 H PHE A 45 43.927 39.845 30.289 1.00 0.00 H new ATOM 0 HA PHE A 45 43.157 42.354 31.554 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.457 42.566 29.199 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.739 40.968 29.244 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.495 44.261 31.041 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.446 40.791 29.568 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.324 45.299 31.625 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.273 41.834 30.137 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.204 44.093 31.164 1.00 0.00 H new ATOM 738 N ALA A 46 41.908 40.924 33.184 1.00 0.00 N ATOM 739 CA ALA A 46 41.362 40.100 34.244 1.00 0.00 C ATOM 740 C ALA A 46 42.045 38.740 34.400 1.00 0.00 C ATOM 741 O ALA A 46 41.400 37.705 34.556 1.00 0.00 O ATOM 742 CB ALA A 46 39.843 40.039 34.112 1.00 0.00 C ATOM 0 H ALA A 46 42.083 41.884 33.482 1.00 0.00 H new ATOM 0 HA ALA A 46 41.591 40.579 35.196 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.433 39.419 34.909 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.431 41.045 34.186 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.579 39.609 33.146 1.00 0.00 H new ATOM 748 N GLY A 47 43.371 38.725 34.298 1.00 0.00 N ATOM 749 CA GLY A 47 44.214 37.546 34.315 1.00 0.00 C ATOM 750 C GLY A 47 44.180 36.682 33.053 1.00 0.00 C ATOM 751 O GLY A 47 44.957 35.734 32.962 1.00 0.00 O ATOM 0 H GLY A 47 43.910 39.585 34.196 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.243 37.861 34.489 1.00 0.00 H new ATOM 0 HA3 GLY A 47 43.923 36.927 35.164 1.00 0.00 H new ATOM 755 N LYS A 48 43.343 36.988 32.065 1.00 0.00 N ATOM 756 CA LYS A 48 43.214 36.252 30.824 1.00 0.00 C ATOM 757 C LYS A 48 44.104 36.871 29.743 1.00 0.00 C ATOM 758 O LYS A 48 44.127 38.090 29.592 1.00 0.00 O ATOM 759 CB LYS A 48 41.771 36.207 30.327 1.00 0.00 C ATOM 760 CG LYS A 48 40.682 35.997 31.376 1.00 0.00 C ATOM 761 CD LYS A 48 40.936 34.847 32.345 1.00 0.00 C ATOM 762 CE LYS A 48 39.763 34.610 33.294 1.00 0.00 C ATOM 763 NZ LYS A 48 39.378 35.824 34.029 1.00 0.00 N ATOM 0 H LYS A 48 42.714 37.789 32.116 1.00 0.00 H new ATOM 0 HA LYS A 48 43.532 35.229 31.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.563 37.141 29.806 1.00 0.00 H new ATOM 0 HB3 LYS A 48 41.691 35.407 29.591 1.00 0.00 H new ATOM 0 HG2 LYS A 48 40.568 36.917 31.949 1.00 0.00 H new ATOM 0 HG3 LYS A 48 39.735 35.820 30.865 1.00 0.00 H new ATOM 0 HD2 LYS A 48 41.131 33.936 31.779 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.833 35.058 32.927 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.907 34.247 32.725 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.028 33.827 34.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.956 35.558 34.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.220 36.411 34.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.685 36.363 33.471 1.00 0.00 H new ATOM 777 N GLN A 49 44.803 36.045 28.968 1.00 0.00 N ATOM 778 CA GLN A 49 45.502 36.503 27.785 1.00 0.00 C ATOM 779 C GLN A 49 44.519 36.666 26.625 1.00 0.00 C ATOM 780 O GLN A 49 43.705 35.779 26.379 1.00 0.00 O ATOM 781 CB GLN A 49 46.656 35.553 27.470 1.00 0.00 C ATOM 782 CG GLN A 49 47.498 36.031 26.292 1.00 0.00 C ATOM 783 CD GLN A 49 48.817 35.261 26.197 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.862 35.726 26.645 1.00 0.00 O ATOM 785 NE2 GLN A 49 48.820 34.048 25.651 1.00 0.00 N ATOM 0 H GLN A 49 44.896 35.045 29.147 1.00 0.00 H new ATOM 0 HA GLN A 49 45.939 37.486 27.960 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.291 35.453 28.350 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.258 34.562 27.250 1.00 0.00 H new ATOM 0 HG2 GLN A 49 46.935 35.906 25.367 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.704 37.096 26.399 1.00 0.00 H new ATOM 0 HE21 GLN A 49 47.956 33.655 25.277 1.00 0.00 H new ATOM 0 HE22 GLN A 49 49.686 33.511 25.607 1.00 0.00 H new ATOM 794 N LEU A 50 44.598 37.787 25.914 1.00 0.00 N ATOM 795 CA LEU A 50 43.762 38.092 24.771 1.00 0.00 C ATOM 796 C LEU A 50 44.392 37.490 23.513 1.00 0.00 C ATOM 797 O LEU A 50 45.378 38.006 22.991 1.00 0.00 O ATOM 798 CB LEU A 50 43.530 39.597 24.678 1.00 0.00 C ATOM 799 CG LEU A 50 42.938 40.262 25.918 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.687 41.741 25.638 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.611 39.638 26.343 1.00 0.00 C ATOM 0 H LEU A 50 45.267 38.526 26.129 1.00 0.00 H new ATOM 0 HA LEU A 50 42.776 37.641 24.882 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.482 40.078 24.452 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.867 39.791 23.835 1.00 0.00 H new ATOM 0 HG LEU A 50 43.661 40.122 26.721 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.264 42.213 26.525 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.628 42.228 25.382 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.989 41.841 24.807 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.236 40.150 27.229 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.887 39.736 25.534 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.761 38.582 26.570 1.00 0.00 H new ATOM 813 N GLU A 51 43.856 36.358 23.069 1.00 0.00 N ATOM 814 CA GLU A 51 44.397 35.532 22.009 1.00 0.00 C ATOM 815 C GLU A 51 43.912 35.942 20.616 1.00 0.00 C ATOM 816 O GLU A 51 42.828 36.494 20.444 1.00 0.00 O ATOM 817 CB GLU A 51 44.077 34.062 22.265 1.00 0.00 C ATOM 818 CG GLU A 51 44.535 33.498 23.606 1.00 0.00 C ATOM 819 CD GLU A 51 46.045 33.354 23.809 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.859 33.775 22.958 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.429 32.806 24.865 1.00 0.00 O ATOM 0 H GLU A 51 42.993 35.979 23.460 1.00 0.00 H new ATOM 0 HA GLU A 51 45.477 35.682 22.022 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.998 33.927 22.187 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.531 33.469 21.471 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.145 34.139 24.396 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.079 32.517 23.737 1.00 0.00 H new ATOM 828 N ASP A 52 44.700 35.623 19.593 1.00 0.00 N ATOM 829 CA ASP A 52 44.377 35.934 18.215 1.00 0.00 C ATOM 830 C ASP A 52 43.205 35.076 17.731 1.00 0.00 C ATOM 831 O ASP A 52 43.140 33.880 18.008 1.00 0.00 O ATOM 832 CB ASP A 52 45.608 35.756 17.333 1.00 0.00 C ATOM 833 CG ASP A 52 46.785 36.656 17.716 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.945 36.239 17.504 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.599 37.792 18.203 1.00 0.00 O ATOM 0 H ASP A 52 45.589 35.136 19.705 1.00 0.00 H new ATOM 0 HA ASP A 52 44.067 36.977 18.149 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.929 34.715 17.381 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.332 35.957 16.298 1.00 0.00 H new ATOM 840 N GLY A 53 42.252 35.670 17.019 1.00 0.00 N ATOM 841 CA GLY A 53 41.068 35.000 16.520 1.00 0.00 C ATOM 842 C GLY A 53 39.941 34.809 17.537 1.00 0.00 C ATOM 843 O GLY A 53 38.935 34.185 17.205 1.00 0.00 O ATOM 0 H GLY A 53 42.288 36.658 16.769 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.679 35.569 15.675 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.359 34.021 16.139 1.00 0.00 H new ATOM 847 N ARG A 54 40.065 35.340 18.750 1.00 0.00 N ATOM 848 CA ARG A 54 38.994 35.541 19.706 1.00 0.00 C ATOM 849 C ARG A 54 38.523 36.995 19.642 1.00 0.00 C ATOM 850 O ARG A 54 39.296 37.845 19.206 1.00 0.00 O ATOM 851 CB ARG A 54 39.482 35.176 21.105 1.00 0.00 C ATOM 852 CG ARG A 54 39.829 33.701 21.288 1.00 0.00 C ATOM 853 CD ARG A 54 38.825 32.922 22.133 1.00 0.00 C ATOM 854 NE ARG A 54 37.497 32.886 21.519 1.00 0.00 N ATOM 855 CZ ARG A 54 36.775 31.815 21.164 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.217 30.552 21.247 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.536 32.029 20.702 1.00 0.00 N ATOM 0 H ARG A 54 40.967 35.657 19.106 1.00 0.00 H new ATOM 0 HA ARG A 54 38.149 34.896 19.463 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.363 35.775 21.337 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.712 35.448 21.827 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.902 33.232 20.307 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.813 33.626 21.751 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.185 31.903 22.275 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.754 33.376 23.121 1.00 0.00 H new ATOM 0 HE ARG A 54 37.066 33.793 21.338 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.156 30.362 21.598 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.614 29.781 20.959 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.175 32.980 20.631 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.953 31.240 20.421 1.00 0.00 H new ATOM 871 N THR A 55 37.301 37.312 20.060 1.00 0.00 N ATOM 872 CA THR A 55 36.770 38.660 20.025 1.00 0.00 C ATOM 873 C THR A 55 36.797 39.401 21.364 1.00 0.00 C ATOM 874 O THR A 55 36.858 38.798 22.433 1.00 0.00 O ATOM 875 CB THR A 55 35.361 38.737 19.447 1.00 0.00 C ATOM 876 OG1 THR A 55 34.506 37.851 20.134 1.00 0.00 O ATOM 877 CG2 THR A 55 35.360 38.417 17.954 1.00 0.00 C ATOM 0 H THR A 55 36.647 36.626 20.437 1.00 0.00 H new ATOM 0 HA THR A 55 37.464 39.169 19.356 1.00 0.00 H new ATOM 0 HB THR A 55 34.997 39.757 19.575 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.718 38.338 20.453 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.342 38.480 17.569 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.992 39.133 17.428 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.746 37.410 17.798 1.00 0.00 H new ATOM 885 N LEU A 56 36.692 40.725 21.306 1.00 0.00 N ATOM 886 CA LEU A 56 36.489 41.552 22.478 1.00 0.00 C ATOM 887 C LEU A 56 35.278 41.105 23.298 1.00 0.00 C ATOM 888 O LEU A 56 35.365 41.021 24.522 1.00 0.00 O ATOM 889 CB LEU A 56 36.358 43.014 22.058 1.00 0.00 C ATOM 890 CG LEU A 56 37.616 43.634 21.459 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.342 45.088 21.084 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.797 43.638 22.426 1.00 0.00 C ATOM 0 H LEU A 56 36.747 41.253 20.435 1.00 0.00 H new ATOM 0 HA LEU A 56 37.359 41.441 23.125 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.551 43.095 21.330 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.063 43.600 22.928 1.00 0.00 H new ATOM 0 HG LEU A 56 37.872 43.025 20.592 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.242 45.529 20.656 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.535 45.129 20.353 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.053 45.645 21.975 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.662 44.092 21.942 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.537 44.211 23.316 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.037 42.614 22.712 1.00 0.00 H new ATOM 904 N SER A 57 34.179 40.732 22.648 1.00 0.00 N ATOM 905 CA SER A 57 33.017 40.162 23.299 1.00 0.00 C ATOM 906 C SER A 57 33.212 38.752 23.862 1.00 0.00 C ATOM 907 O SER A 57 32.644 38.474 24.915 1.00 0.00 O ATOM 908 CB SER A 57 31.783 40.232 22.403 1.00 0.00 C ATOM 909 OG SER A 57 32.028 39.705 21.118 1.00 0.00 O ATOM 0 H SER A 57 34.075 40.821 21.637 1.00 0.00 H new ATOM 0 HA SER A 57 32.859 40.793 24.174 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.965 39.682 22.870 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.460 41.269 22.313 1.00 0.00 H new ATOM 0 HG SER A 57 32.494 40.374 20.574 1.00 0.00 H new ATOM 915 N ASP A 58 34.060 37.896 23.300 1.00 0.00 N ATOM 916 CA ASP A 58 34.424 36.637 23.917 1.00 0.00 C ATOM 917 C ASP A 58 35.076 36.811 25.290 1.00 0.00 C ATOM 918 O ASP A 58 34.932 35.942 26.147 1.00 0.00 O ATOM 919 CB ASP A 58 35.385 35.820 23.058 1.00 0.00 C ATOM 920 CG ASP A 58 34.776 35.079 21.866 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.626 34.595 21.940 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.524 34.854 20.891 1.00 0.00 O ATOM 0 H ASP A 58 34.512 38.062 22.401 1.00 0.00 H new ATOM 0 HA ASP A 58 33.476 36.110 24.025 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.160 36.489 22.684 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.877 35.088 23.699 1.00 0.00 H new ATOM 927 N TYR A 59 35.749 37.932 25.534 1.00 0.00 N ATOM 928 CA TYR A 59 36.315 38.300 26.816 1.00 0.00 C ATOM 929 C TYR A 59 35.470 39.300 27.609 1.00 0.00 C ATOM 930 O TYR A 59 35.896 39.736 28.676 1.00 0.00 O ATOM 931 CB TYR A 59 37.749 38.784 26.623 1.00 0.00 C ATOM 932 CG TYR A 59 38.685 37.767 26.016 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.197 36.721 26.793 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.084 37.905 24.681 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.108 35.814 26.239 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.003 37.009 24.120 1.00 0.00 C ATOM 937 CZ TYR A 59 40.511 35.950 24.897 1.00 0.00 C ATOM 938 OH TYR A 59 41.399 35.072 24.346 1.00 0.00 O ATOM 0 H TYR A 59 35.918 38.632 24.812 1.00 0.00 H new ATOM 0 HA TYR A 59 36.319 37.402 27.434 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.736 39.670 25.988 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.147 39.091 27.590 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.888 36.614 27.822 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.681 38.707 24.080 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.502 35.009 26.842 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.321 37.130 23.095 1.00 0.00 H new ATOM 0 HH TYR A 59 40.914 34.407 23.814 1.00 0.00 H new ATOM 948 N ASN A 60 34.281 39.663 27.139 1.00 0.00 N ATOM 949 CA ASN A 60 33.419 40.678 27.708 1.00 0.00 C ATOM 950 C ASN A 60 34.098 42.026 27.954 1.00 0.00 C ATOM 951 O ASN A 60 33.844 42.693 28.955 1.00 0.00 O ATOM 952 CB ASN A 60 32.643 40.112 28.894 1.00 0.00 C ATOM 953 CG ASN A 60 31.414 40.955 29.246 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.522 41.174 28.431 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.327 41.465 30.471 1.00 0.00 N ATOM 0 H ASN A 60 33.877 39.231 26.308 1.00 0.00 H new ATOM 0 HA ASN A 60 32.681 40.943 26.950 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.328 39.094 28.666 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.301 40.055 29.761 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.522 42.035 30.730 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.065 41.286 31.152 1.00 0.00 H new ATOM 962 N ILE A 61 34.967 42.452 27.042 1.00 0.00 N ATOM 963 CA ILE A 61 35.549 43.778 27.055 1.00 0.00 C ATOM 964 C ILE A 61 34.487 44.774 26.583 1.00 0.00 C ATOM 965 O ILE A 61 33.862 44.586 25.540 1.00 0.00 O ATOM 966 CB ILE A 61 36.834 43.827 26.233 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.909 42.963 26.885 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.345 45.256 26.079 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.064 42.605 25.953 1.00 0.00 C ATOM 0 H ILE A 61 35.287 41.873 26.265 1.00 0.00 H new ATOM 0 HA ILE A 61 35.849 44.053 28.066 1.00 0.00 H new ATOM 0 HB ILE A 61 36.607 43.439 25.240 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.306 43.488 27.754 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.451 42.044 27.250 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.261 45.253 25.488 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.590 45.860 25.575 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.549 45.677 27.063 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.787 41.990 26.489 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.681 42.051 25.096 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.550 43.518 25.608 1.00 0.00 H new ATOM 981 N GLN A 62 34.279 45.825 27.371 1.00 0.00 N ATOM 982 CA GLN A 62 33.273 46.848 27.168 1.00 0.00 C ATOM 983 C GLN A 62 33.884 48.249 27.244 1.00 0.00 C ATOM 984 O GLN A 62 34.961 48.452 27.799 1.00 0.00 O ATOM 985 CB GLN A 62 32.169 46.684 28.208 1.00 0.00 C ATOM 986 CG GLN A 62 31.335 45.422 28.007 1.00 0.00 C ATOM 987 CD GLN A 62 30.289 45.218 29.105 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.095 45.447 28.928 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.694 44.757 30.285 1.00 0.00 N ATOM 0 H GLN A 62 34.838 45.989 28.208 1.00 0.00 H new ATOM 0 HA GLN A 62 32.850 46.731 26.170 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.616 46.662 29.202 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.513 47.554 28.173 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.834 45.474 27.040 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.997 44.556 27.977 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.683 44.563 30.445 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.016 44.598 31.030 1.00 0.00 H new ATOM 998 N LYS A 63 33.161 49.238 26.729 1.00 0.00 N ATOM 999 CA LYS A 63 33.434 50.648 26.919 1.00 0.00 C ATOM 1000 C LYS A 63 33.450 50.986 28.411 1.00 0.00 C ATOM 1001 O LYS A 63 32.538 50.586 29.131 1.00 0.00 O ATOM 1002 CB LYS A 63 32.349 51.419 26.172 1.00 0.00 C ATOM 1003 CG LYS A 63 32.535 52.934 26.230 1.00 0.00 C ATOM 1004 CD LYS A 63 31.457 53.632 25.407 1.00 0.00 C ATOM 1005 CE LYS A 63 31.569 55.145 25.581 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.511 55.832 24.824 1.00 0.00 N ATOM 0 H LYS A 63 32.340 49.068 26.148 1.00 0.00 H new ATOM 0 HA LYS A 63 34.414 50.921 26.528 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.339 51.101 25.130 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.376 51.163 26.592 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.489 53.273 27.265 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.521 53.201 25.851 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.563 53.369 24.355 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.470 53.293 25.722 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.493 55.402 26.638 1.00 0.00 H new ATOM 0 HE3 LYS A 63 32.547 55.485 25.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 30.603 56.860 24.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.601 55.601 23.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.580 55.521 25.168 1.00 0.00 H new ATOM 1020 N GLU A 64 34.423 51.701 28.968 1.00 0.00 N ATOM 1021 CA GLU A 64 35.530 52.443 28.399 1.00 0.00 C ATOM 1022 C GLU A 64 36.853 51.943 28.985 1.00 0.00 C ATOM 1023 O GLU A 64 37.633 52.692 29.568 1.00 0.00 O ATOM 1024 CB GLU A 64 35.277 53.940 28.549 1.00 0.00 C ATOM 1025 CG GLU A 64 34.901 54.425 29.947 1.00 0.00 C ATOM 1026 CD GLU A 64 34.348 55.851 29.931 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.175 56.044 29.544 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.048 56.777 30.397 1.00 0.00 O ATOM 0 H GLU A 64 34.449 51.780 29.985 1.00 0.00 H new ATOM 0 HA GLU A 64 35.611 52.268 27.326 1.00 0.00 H new ATOM 0 HB2 GLU A 64 36.174 54.472 28.232 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.479 54.223 27.862 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.158 53.753 30.376 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.778 54.384 30.593 1.00 0.00 H new ATOM 1035 N SER A 65 37.067 50.635 28.874 1.00 0.00 N ATOM 1036 CA SER A 65 38.176 49.910 29.460 1.00 0.00 C ATOM 1037 C SER A 65 39.559 50.432 29.063 1.00 0.00 C ATOM 1038 O SER A 65 39.785 50.805 27.914 1.00 0.00 O ATOM 1039 CB SER A 65 38.114 48.435 29.078 1.00 0.00 C ATOM 1040 OG SER A 65 36.916 47.828 29.507 1.00 0.00 O ATOM 0 H SER A 65 36.439 50.029 28.347 1.00 0.00 H new ATOM 0 HA SER A 65 38.062 50.058 30.534 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.203 48.337 27.996 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.963 47.911 29.517 1.00 0.00 H new ATOM 0 HG SER A 65 36.184 48.093 28.912 1.00 0.00 H new ATOM 1046 N THR A 66 40.506 50.353 29.993 1.00 0.00 N ATOM 1047 CA THR A 66 41.927 50.461 29.732 1.00 0.00 C ATOM 1048 C THR A 66 42.542 49.062 29.636 1.00 0.00 C ATOM 1049 O THR A 66 42.183 48.173 30.404 1.00 0.00 O ATOM 1050 CB THR A 66 42.655 51.280 30.792 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.072 52.559 30.920 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.122 51.540 30.463 1.00 0.00 C ATOM 0 H THR A 66 40.292 50.207 30.980 1.00 0.00 H new ATOM 0 HA THR A 66 42.046 50.987 28.785 1.00 0.00 H new ATOM 0 HB THR A 66 42.576 50.683 31.700 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.551 53.070 31.606 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.575 52.128 31.261 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.648 50.590 30.369 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.193 52.088 29.524 1.00 0.00 H new ATOM 1060 N LEU A 67 43.499 48.868 28.732 1.00 0.00 N ATOM 1061 CA LEU A 67 44.311 47.676 28.588 1.00 0.00 C ATOM 1062 C LEU A 67 45.796 48.022 28.701 1.00 0.00 C ATOM 1063 O LEU A 67 46.219 49.111 28.320 1.00 0.00 O ATOM 1064 CB LEU A 67 44.002 47.011 27.248 1.00 0.00 C ATOM 1065 CG LEU A 67 42.595 46.441 27.096 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.433 45.866 25.691 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.309 45.320 28.090 1.00 0.00 C ATOM 0 H LEU A 67 43.737 49.583 28.044 1.00 0.00 H new ATOM 0 HA LEU A 67 44.073 46.977 29.390 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.165 47.742 26.456 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.719 46.205 27.090 1.00 0.00 H new ATOM 0 HG LEU A 67 41.899 47.258 27.283 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.429 45.458 25.579 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.589 46.655 24.955 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.166 45.075 25.535 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.295 44.950 27.939 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.019 44.507 27.936 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.409 45.701 29.106 1.00 0.00 H new ATOM 1079 N HIS A 68 46.605 47.102 29.218 1.00 0.00 N ATOM 1080 CA HIS A 68 48.031 47.277 29.401 1.00 0.00 C ATOM 1081 C HIS A 68 48.828 46.386 28.446 1.00 0.00 C ATOM 1082 O HIS A 68 48.610 45.177 28.410 1.00 0.00 O ATOM 1083 CB HIS A 68 48.407 47.022 30.858 1.00 0.00 C ATOM 1084 CG HIS A 68 47.925 48.108 31.780 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.736 49.092 32.342 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.628 48.331 32.165 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.928 49.875 33.062 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.656 49.458 32.963 1.00 0.00 N ATOM 0 H HIS A 68 46.271 46.190 29.528 1.00 0.00 H new ATOM 0 HA HIS A 68 48.289 48.308 29.159 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.987 46.068 31.176 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.491 46.936 30.940 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.761 47.745 31.899 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.253 50.725 33.643 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.848 49.898 33.402 1.00 0.00 H new ATOM 1096 N LEU A 69 49.768 46.964 27.703 1.00 0.00 N ATOM 1097 CA LEU A 69 50.646 46.263 26.788 1.00 0.00 C ATOM 1098 C LEU A 69 51.932 45.822 27.489 1.00 0.00 C ATOM 1099 O LEU A 69 52.551 46.626 28.182 1.00 0.00 O ATOM 1100 CB LEU A 69 50.931 47.185 25.606 1.00 0.00 C ATOM 1101 CG LEU A 69 51.893 46.645 24.551 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.351 45.405 23.847 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.147 47.710 23.487 1.00 0.00 C ATOM 0 H LEU A 69 49.940 47.969 27.727 1.00 0.00 H new ATOM 0 HA LEU A 69 50.166 45.353 26.429 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.985 47.421 25.119 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.334 48.122 25.991 1.00 0.00 H new ATOM 0 HG LEU A 69 52.811 46.378 25.075 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.074 45.062 23.107 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.180 44.616 24.580 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.412 45.650 23.351 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.834 47.318 22.737 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.205 47.980 23.010 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.584 48.593 23.953 1.00 0.00 H new ATOM 1115 N VAL A 70 52.364 44.587 27.255 1.00 0.00 N ATOM 1116 CA VAL A 70 53.707 44.120 27.534 1.00 0.00 C ATOM 1117 C VAL A 70 54.319 43.490 26.280 1.00 0.00 C ATOM 1118 O VAL A 70 53.604 43.075 25.370 1.00 0.00 O ATOM 1119 CB VAL A 70 53.800 43.200 28.747 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.214 43.856 29.993 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.166 41.826 28.546 1.00 0.00 C ATOM 0 H VAL A 70 51.766 43.865 26.853 1.00 0.00 H new ATOM 0 HA VAL A 70 54.296 44.995 27.807 1.00 0.00 H new ATOM 0 HB VAL A 70 54.869 43.035 28.884 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.297 43.172 30.838 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.761 44.773 30.213 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.164 44.093 29.820 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.277 41.237 29.457 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.107 41.944 28.317 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.661 41.314 27.720 1.00 0.00 H new