USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=13 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 22 THR OG1 : rot -159:sc= 0.598 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.612 K(o=1.2,f=0.23) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= 1.25 (180deg=1.16) USER MOD Single : A 2 GLN : amide:sc=-0.00114 K(o=-0.0011,f=-0.56) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.0178 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 1.7 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 171:sc= 1.56 (180deg=1.48) USER MOD Single : A 31 GLN : amide:sc= -0.493 K(o=-0.49,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 174:sc= 0.963 (180deg=0.938) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 41 GLN : amide:sc= 1.81 K(o=1.8,f=-0.96) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.24 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.666 USER MOD Single : A 60 ASN : amide:sc= -0.0867 K(o=-0.087,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= -0.0529 K(o=-0.053,f=-3.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc= 1.14 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.070 52.192 19.346 1.00 0.00 N ATOM 2 CA MET A 1 33.273 52.013 20.791 1.00 0.00 C ATOM 3 C MET A 1 34.701 52.415 21.165 1.00 0.00 C ATOM 4 O MET A 1 35.638 52.092 20.437 1.00 0.00 O ATOM 5 CB MET A 1 32.959 50.583 21.223 1.00 0.00 C ATOM 6 CG MET A 1 33.048 50.381 22.733 1.00 0.00 C ATOM 7 SD MET A 1 32.621 48.719 23.308 1.00 0.00 S ATOM 8 CE MET A 1 34.035 47.735 22.750 1.00 0.00 C ATOM 0 H1 MET A 1 32.052 52.252 19.143 1.00 0.00 H new ATOM 0 H2 MET A 1 33.537 53.068 19.036 1.00 0.00 H new ATOM 0 H3 MET A 1 33.478 51.383 18.835 1.00 0.00 H new ATOM 0 HA MET A 1 32.580 52.662 21.326 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.957 50.320 20.886 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.651 49.900 20.730 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.063 50.611 23.056 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.388 51.099 23.220 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.893 46.695 23.043 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.117 47.799 21.665 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.948 48.118 23.206 1.00 0.00 H new ATOM 20 N GLN A 2 34.901 53.083 22.297 1.00 0.00 N ATOM 21 CA GLN A 2 36.211 53.455 22.794 1.00 0.00 C ATOM 22 C GLN A 2 36.792 52.396 23.732 1.00 0.00 C ATOM 23 O GLN A 2 36.074 51.881 24.587 1.00 0.00 O ATOM 24 CB GLN A 2 36.100 54.813 23.480 1.00 0.00 C ATOM 25 CG GLN A 2 37.398 55.285 24.128 1.00 0.00 C ATOM 26 CD GLN A 2 37.345 56.789 24.405 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.984 57.243 25.489 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.650 57.602 23.399 1.00 0.00 N ATOM 0 H GLN A 2 34.138 53.385 22.903 1.00 0.00 H new ATOM 0 HA GLN A 2 36.905 53.523 21.956 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.780 55.554 22.748 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.322 54.762 24.242 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.564 54.744 25.059 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.240 55.060 23.474 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.949 57.216 22.503 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.586 58.612 23.522 1.00 0.00 H new ATOM 37 N ILE A 3 38.097 52.150 23.644 1.00 0.00 N ATOM 38 CA ILE A 3 38.909 51.519 24.665 1.00 0.00 C ATOM 39 C ILE A 3 40.254 52.239 24.779 1.00 0.00 C ATOM 40 O ILE A 3 40.627 52.999 23.889 1.00 0.00 O ATOM 41 CB ILE A 3 39.095 50.020 24.448 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.854 49.702 23.162 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.771 49.267 24.542 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.202 48.229 22.971 1.00 0.00 C ATOM 0 H ILE A 3 38.637 52.400 22.816 1.00 0.00 H new ATOM 0 HA ILE A 3 38.371 51.612 25.608 1.00 0.00 H new ATOM 0 HB ILE A 3 39.724 49.662 25.263 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.256 50.032 22.313 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.776 50.283 23.148 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.945 48.203 24.382 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.335 49.419 25.530 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.085 49.641 23.782 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.739 48.101 22.031 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.830 47.893 23.797 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.286 47.639 22.948 1.00 0.00 H new ATOM 56 N PHE A 4 41.010 51.962 25.838 1.00 0.00 N ATOM 57 CA PHE A 4 42.340 52.495 26.051 1.00 0.00 C ATOM 58 C PHE A 4 43.370 51.385 26.270 1.00 0.00 C ATOM 59 O PHE A 4 43.043 50.309 26.767 1.00 0.00 O ATOM 60 CB PHE A 4 42.354 53.443 27.247 1.00 0.00 C ATOM 61 CG PHE A 4 41.279 54.503 27.274 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.434 55.678 26.528 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.147 54.339 28.079 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.476 56.696 26.604 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.188 55.357 28.163 1.00 0.00 C ATOM 66 CZ PHE A 4 39.356 56.536 27.429 1.00 0.00 C ATOM 0 H PHE A 4 40.700 51.344 26.588 1.00 0.00 H new ATOM 0 HA PHE A 4 42.613 53.042 25.148 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.270 52.848 28.156 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.324 53.939 27.279 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.297 55.799 25.891 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.012 53.425 28.638 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.600 57.601 26.028 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.320 55.232 28.794 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.621 57.324 27.499 1.00 0.00 H new ATOM 76 N VAL A 5 44.636 51.661 25.968 1.00 0.00 N ATOM 77 CA VAL A 5 45.742 50.767 26.247 1.00 0.00 C ATOM 78 C VAL A 5 46.855 51.498 26.999 1.00 0.00 C ATOM 79 O VAL A 5 47.279 52.580 26.596 1.00 0.00 O ATOM 80 CB VAL A 5 46.251 50.095 24.975 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.361 49.088 25.265 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.141 49.345 24.245 1.00 0.00 C ATOM 0 H VAL A 5 44.921 52.529 25.515 1.00 0.00 H new ATOM 0 HA VAL A 5 45.379 49.971 26.897 1.00 0.00 H new ATOM 0 HB VAL A 5 46.632 50.906 24.354 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.693 48.634 24.331 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.200 49.598 25.739 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.984 48.312 25.932 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.546 48.881 23.345 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.732 48.574 24.898 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.351 50.043 23.969 1.00 0.00 H new ATOM 92 N LYS A 6 47.323 50.889 28.084 1.00 0.00 N ATOM 93 CA LYS A 6 48.476 51.279 28.869 1.00 0.00 C ATOM 94 C LYS A 6 49.748 50.660 28.288 1.00 0.00 C ATOM 95 O LYS A 6 49.739 49.489 27.912 1.00 0.00 O ATOM 96 CB LYS A 6 48.314 50.796 30.308 1.00 0.00 C ATOM 97 CG LYS A 6 47.162 51.440 31.075 1.00 0.00 C ATOM 98 CD LYS A 6 47.091 50.826 32.470 1.00 0.00 C ATOM 99 CE LYS A 6 46.236 51.677 33.405 1.00 0.00 C ATOM 100 NZ LYS A 6 46.433 51.274 34.806 1.00 0.00 N ATOM 0 H LYS A 6 46.872 50.054 28.458 1.00 0.00 H new ATOM 0 HA LYS A 6 48.553 52.366 28.846 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.167 49.716 30.299 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.242 50.987 30.847 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.312 52.517 31.145 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.222 51.282 30.546 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.675 49.821 32.407 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.097 50.730 32.879 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.495 52.729 33.285 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.184 51.575 33.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.842 51.866 35.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.164 50.276 34.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.433 51.395 35.065 1.00 0.00 H new ATOM 168 N LYS A 11 52.884 55.833 29.302 1.00 0.00 N ATOM 169 CA LYS A 11 52.138 56.380 28.187 1.00 0.00 C ATOM 170 C LYS A 11 50.882 55.554 27.903 1.00 0.00 C ATOM 171 O LYS A 11 50.943 54.326 27.915 1.00 0.00 O ATOM 172 CB LYS A 11 53.088 56.433 26.994 1.00 0.00 C ATOM 173 CG LYS A 11 52.493 56.899 25.669 1.00 0.00 C ATOM 174 CD LYS A 11 52.098 58.373 25.685 1.00 0.00 C ATOM 175 CE LYS A 11 51.490 58.764 24.340 1.00 0.00 C ATOM 176 NZ LYS A 11 51.125 60.189 24.318 1.00 0.00 N ATOM 0 HA LYS A 11 51.778 57.384 28.412 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.917 57.094 27.247 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.508 55.438 26.848 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.216 56.730 24.871 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.616 56.295 25.437 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.381 58.557 26.485 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.972 58.990 25.892 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.202 58.555 23.541 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.606 58.156 24.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 50.714 60.428 23.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 50.428 60.380 25.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.974 60.767 24.480 1.00 0.00 H new ATOM 190 N THR A 12 49.771 56.208 27.578 1.00 0.00 N ATOM 191 CA THR A 12 48.546 55.575 27.132 1.00 0.00 C ATOM 192 C THR A 12 48.214 55.914 25.678 1.00 0.00 C ATOM 193 O THR A 12 48.685 56.921 25.153 1.00 0.00 O ATOM 194 CB THR A 12 47.352 55.910 28.022 1.00 0.00 C ATOM 195 OG1 THR A 12 47.033 57.280 27.922 1.00 0.00 O ATOM 196 CG2 THR A 12 47.591 55.596 29.495 1.00 0.00 C ATOM 0 H THR A 12 49.702 57.225 27.621 1.00 0.00 H new ATOM 0 HA THR A 12 48.734 54.504 27.205 1.00 0.00 H new ATOM 0 HB THR A 12 46.535 55.284 27.664 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.265 57.480 28.497 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.704 55.858 30.071 1.00 0.00 H new ATOM 0 HG22 THR A 12 47.799 54.532 29.611 1.00 0.00 H new ATOM 0 HG23 THR A 12 48.442 56.173 29.857 1.00 0.00 H new ATOM 204 N ILE A 13 47.385 55.092 25.043 1.00 0.00 N ATOM 205 CA ILE A 13 46.824 55.315 23.725 1.00 0.00 C ATOM 206 C ILE A 13 45.321 55.025 23.705 1.00 0.00 C ATOM 207 O ILE A 13 44.843 54.122 24.388 1.00 0.00 O ATOM 208 CB ILE A 13 47.577 54.548 22.641 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.553 53.039 22.863 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.998 55.085 22.500 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.245 52.214 21.782 1.00 0.00 C ATOM 0 H ILE A 13 47.075 54.213 25.457 1.00 0.00 H new ATOM 0 HA ILE A 13 46.951 56.372 23.492 1.00 0.00 H new ATOM 0 HB ILE A 13 47.055 54.714 21.699 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.024 52.821 23.822 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.515 52.715 22.937 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.522 54.528 21.723 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.963 56.140 22.229 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.526 54.971 23.447 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.174 51.155 22.031 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.762 52.394 20.822 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.294 52.502 21.720 1.00 0.00 H new ATOM 223 N THR A 14 44.585 55.775 22.889 1.00 0.00 N ATOM 224 CA THR A 14 43.143 55.732 22.754 1.00 0.00 C ATOM 225 C THR A 14 42.756 55.109 21.411 1.00 0.00 C ATOM 226 O THR A 14 43.265 55.525 20.373 1.00 0.00 O ATOM 227 CB THR A 14 42.563 57.139 22.867 1.00 0.00 C ATOM 228 OG1 THR A 14 42.988 57.784 24.047 1.00 0.00 O ATOM 229 CG2 THR A 14 41.037 57.149 22.887 1.00 0.00 C ATOM 0 H THR A 14 45.010 56.467 22.271 1.00 0.00 H new ATOM 0 HA THR A 14 42.734 55.117 23.556 1.00 0.00 H new ATOM 0 HB THR A 14 42.926 57.662 21.982 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.472 57.446 24.808 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.681 58.176 22.969 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.658 56.706 21.966 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.681 56.572 23.741 1.00 0.00 H new ATOM 237 N LEU A 15 41.862 54.125 21.424 1.00 0.00 N ATOM 238 CA LEU A 15 41.479 53.352 20.259 1.00 0.00 C ATOM 239 C LEU A 15 39.991 53.469 19.920 1.00 0.00 C ATOM 240 O LEU A 15 39.155 53.680 20.795 1.00 0.00 O ATOM 241 CB LEU A 15 41.855 51.886 20.452 1.00 0.00 C ATOM 242 CG LEU A 15 43.312 51.586 20.796 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.489 50.080 20.966 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.306 52.046 19.733 1.00 0.00 C ATOM 0 H LEU A 15 41.373 53.839 22.272 1.00 0.00 H new ATOM 0 HA LEU A 15 42.028 53.770 19.415 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.228 51.477 21.244 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.605 51.348 19.537 1.00 0.00 H new ATOM 0 HG LEU A 15 43.523 52.139 21.711 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.528 49.861 21.212 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.844 49.726 21.770 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.222 49.575 20.038 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.319 51.798 20.050 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.088 51.545 18.790 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.222 53.124 19.599 1.00 0.00 H new ATOM 256 N GLU A 16 39.667 53.263 18.646 1.00 0.00 N ATOM 257 CA GLU A 16 38.327 53.107 18.115 1.00 0.00 C ATOM 258 C GLU A 16 38.103 51.657 17.685 1.00 0.00 C ATOM 259 O GLU A 16 38.709 51.177 16.730 1.00 0.00 O ATOM 260 CB GLU A 16 38.125 54.057 16.938 1.00 0.00 C ATOM 261 CG GLU A 16 37.995 55.522 17.348 1.00 0.00 C ATOM 262 CD GLU A 16 36.562 55.831 17.785 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.280 55.831 19.003 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.695 56.067 16.917 1.00 0.00 O ATOM 0 H GLU A 16 40.379 53.198 17.919 1.00 0.00 H new ATOM 0 HA GLU A 16 37.600 53.353 18.889 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.965 53.954 16.251 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.229 53.760 16.393 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.685 55.740 18.163 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.274 56.165 16.513 1.00 0.00 H new ATOM 271 N VAL A 17 37.243 50.935 18.399 1.00 0.00 N ATOM 272 CA VAL A 17 36.957 49.526 18.213 1.00 0.00 C ATOM 273 C VAL A 17 35.452 49.257 18.139 1.00 0.00 C ATOM 274 O VAL A 17 34.634 50.114 18.466 1.00 0.00 O ATOM 275 CB VAL A 17 37.601 48.673 19.303 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.123 48.788 19.292 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.084 49.011 20.698 1.00 0.00 C ATOM 0 H VAL A 17 36.702 51.344 19.161 1.00 0.00 H new ATOM 0 HA VAL A 17 37.395 49.240 17.257 1.00 0.00 H new ATOM 0 HB VAL A 17 37.317 47.646 19.071 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.541 48.165 20.083 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.506 48.455 18.328 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.411 49.826 19.457 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.576 48.374 21.433 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.298 50.056 20.922 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.007 48.845 20.737 1.00 0.00 H new ATOM 287 N GLU A 18 35.072 48.040 17.760 1.00 0.00 N ATOM 288 CA GLU A 18 33.732 47.509 17.910 1.00 0.00 C ATOM 289 C GLU A 18 33.786 46.125 18.561 1.00 0.00 C ATOM 290 O GLU A 18 34.798 45.444 18.416 1.00 0.00 O ATOM 291 CB GLU A 18 33.038 47.464 16.552 1.00 0.00 C ATOM 292 CG GLU A 18 32.669 48.837 15.999 1.00 0.00 C ATOM 293 CD GLU A 18 31.748 49.654 16.907 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.815 49.094 17.523 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.922 50.889 16.987 1.00 0.00 O ATOM 0 H GLU A 18 35.715 47.378 17.326 1.00 0.00 H new ATOM 0 HA GLU A 18 33.152 48.161 18.563 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.690 46.959 15.839 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.133 46.863 16.638 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.584 49.403 15.825 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.185 48.708 15.031 1.00 0.00 H new ATOM 302 N PRO A 19 32.762 45.673 19.278 1.00 0.00 N ATOM 303 CA PRO A 19 32.820 44.425 20.014 1.00 0.00 C ATOM 304 C PRO A 19 33.046 43.185 19.146 1.00 0.00 C ATOM 305 O PRO A 19 33.600 42.202 19.634 1.00 0.00 O ATOM 306 CB PRO A 19 31.538 44.358 20.838 1.00 0.00 C ATOM 307 CG PRO A 19 30.573 45.272 20.091 1.00 0.00 C ATOM 308 CD PRO A 19 31.501 46.343 19.524 1.00 0.00 C ATOM 0 HA PRO A 19 33.701 44.417 20.656 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.156 43.339 20.900 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.702 44.700 21.860 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.039 44.740 19.304 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.821 45.698 20.756 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.096 46.766 18.605 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.625 47.167 20.227 1.00 0.00 H new ATOM 316 N SER A 20 32.713 43.232 17.859 1.00 0.00 N ATOM 317 CA SER A 20 33.042 42.206 16.890 1.00 0.00 C ATOM 318 C SER A 20 34.505 42.155 16.447 1.00 0.00 C ATOM 319 O SER A 20 34.877 41.213 15.750 1.00 0.00 O ATOM 320 CB SER A 20 32.144 42.339 15.663 1.00 0.00 C ATOM 321 OG SER A 20 32.246 43.631 15.107 1.00 0.00 O ATOM 0 H SER A 20 32.192 44.010 17.456 1.00 0.00 H new ATOM 0 HA SER A 20 32.868 41.266 17.414 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.425 41.594 14.918 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.109 42.138 15.940 1.00 0.00 H new ATOM 0 HG SER A 20 31.664 43.696 14.321 1.00 0.00 H new ATOM 327 N ASP A 21 35.354 43.112 16.808 1.00 0.00 N ATOM 328 CA ASP A 21 36.754 43.107 16.433 1.00 0.00 C ATOM 329 C ASP A 21 37.507 41.969 17.124 1.00 0.00 C ATOM 330 O ASP A 21 37.388 41.776 18.332 1.00 0.00 O ATOM 331 CB ASP A 21 37.427 44.436 16.768 1.00 0.00 C ATOM 332 CG ASP A 21 36.956 45.646 15.960 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.361 45.489 14.872 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.274 46.788 16.358 1.00 0.00 O ATOM 0 H ASP A 21 35.083 43.917 17.373 1.00 0.00 H new ATOM 0 HA ASP A 21 36.792 42.956 15.354 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.267 44.645 17.826 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.502 44.323 16.624 1.00 0.00 H new ATOM 339 N THR A 22 38.325 41.233 16.376 1.00 0.00 N ATOM 340 CA THR A 22 39.258 40.278 16.940 1.00 0.00 C ATOM 341 C THR A 22 40.397 40.991 17.672 1.00 0.00 C ATOM 342 O THR A 22 40.762 42.108 17.312 1.00 0.00 O ATOM 343 CB THR A 22 39.816 39.276 15.934 1.00 0.00 C ATOM 344 OG1 THR A 22 40.747 39.838 15.035 1.00 0.00 O ATOM 345 CG2 THR A 22 38.728 38.624 15.085 1.00 0.00 C ATOM 0 H THR A 22 38.355 41.287 15.358 1.00 0.00 H new ATOM 0 HA THR A 22 38.676 39.693 17.652 1.00 0.00 H new ATOM 0 HB THR A 22 40.310 38.536 16.564 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.814 39.273 14.237 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.183 37.921 14.388 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.031 38.093 15.733 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.192 39.392 14.528 1.00 0.00 H new ATOM 353 N ILE A 23 41.018 40.361 18.664 1.00 0.00 N ATOM 354 CA ILE A 23 42.103 40.992 19.388 1.00 0.00 C ATOM 355 C ILE A 23 43.339 41.180 18.505 1.00 0.00 C ATOM 356 O ILE A 23 44.048 42.171 18.666 1.00 0.00 O ATOM 357 CB ILE A 23 42.409 40.269 20.697 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.187 40.037 21.581 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.473 41.013 21.499 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.341 41.264 21.906 1.00 0.00 C ATOM 0 H ILE A 23 40.786 39.419 18.980 1.00 0.00 H new ATOM 0 HA ILE A 23 41.773 41.993 19.667 1.00 0.00 H new ATOM 0 HB ILE A 23 42.778 39.288 20.397 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.548 39.301 21.094 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.523 39.596 22.519 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.671 40.476 22.426 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.390 41.078 20.914 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.118 42.017 21.730 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.504 40.971 22.539 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.952 41.999 22.429 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.962 41.700 20.982 1.00 0.00 H new ATOM 372 N GLU A 24 43.552 40.353 17.488 1.00 0.00 N ATOM 373 CA GLU A 24 44.505 40.634 16.433 1.00 0.00 C ATOM 374 C GLU A 24 44.204 41.954 15.720 1.00 0.00 C ATOM 375 O GLU A 24 45.118 42.748 15.513 1.00 0.00 O ATOM 376 CB GLU A 24 44.516 39.474 15.442 1.00 0.00 C ATOM 377 CG GLU A 24 45.533 39.644 14.317 1.00 0.00 C ATOM 378 CD GLU A 24 45.562 38.469 13.338 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.601 38.303 12.662 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.561 37.737 13.184 1.00 0.00 O ATOM 0 H GLU A 24 43.063 39.465 17.376 1.00 0.00 H new ATOM 0 HA GLU A 24 45.491 40.741 16.884 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.731 38.550 15.979 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.521 39.367 15.009 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.307 40.558 13.768 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.525 39.770 14.751 1.00 0.00 H new ATOM 387 N ASN A 25 42.944 42.244 15.410 1.00 0.00 N ATOM 388 CA ASN A 25 42.546 43.528 14.868 1.00 0.00 C ATOM 389 C ASN A 25 42.720 44.685 15.855 1.00 0.00 C ATOM 390 O ASN A 25 43.075 45.782 15.429 1.00 0.00 O ATOM 391 CB ASN A 25 41.131 43.460 14.304 1.00 0.00 C ATOM 392 CG ASN A 25 41.154 42.934 12.867 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.377 43.684 11.920 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.006 41.626 12.675 1.00 0.00 N ATOM 0 H ASN A 25 42.171 41.589 15.530 1.00 0.00 H new ATOM 0 HA ASN A 25 43.229 43.749 14.047 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.516 42.810 14.926 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.675 44.450 14.328 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.077 41.237 11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.821 41.012 13.468 1.00 0.00 H new ATOM 401 N VAL A 26 42.576 44.469 17.160 1.00 0.00 N ATOM 402 CA VAL A 26 42.929 45.464 18.153 1.00 0.00 C ATOM 403 C VAL A 26 44.435 45.735 18.134 1.00 0.00 C ATOM 404 O VAL A 26 44.834 46.896 18.084 1.00 0.00 O ATOM 405 CB VAL A 26 42.424 45.098 19.546 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.759 46.179 20.569 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.908 44.923 19.568 1.00 0.00 C ATOM 0 H VAL A 26 42.212 43.600 17.552 1.00 0.00 H new ATOM 0 HA VAL A 26 42.422 46.391 17.887 1.00 0.00 H new ATOM 0 HB VAL A 26 42.921 44.162 19.802 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.383 45.882 21.548 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.840 46.310 20.619 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.293 47.119 20.271 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.586 44.663 20.576 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.430 45.854 19.263 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.624 44.127 18.880 1.00 0.00 H new ATOM 417 N LYS A 27 45.277 44.709 18.059 1.00 0.00 N ATOM 418 CA LYS A 27 46.710 44.859 17.900 1.00 0.00 C ATOM 419 C LYS A 27 47.095 45.513 16.570 1.00 0.00 C ATOM 420 O LYS A 27 48.042 46.296 16.542 1.00 0.00 O ATOM 421 CB LYS A 27 47.419 43.525 18.107 1.00 0.00 C ATOM 422 CG LYS A 27 47.308 43.043 19.551 1.00 0.00 C ATOM 423 CD LYS A 27 48.245 41.885 19.884 1.00 0.00 C ATOM 424 CE LYS A 27 47.959 40.609 19.099 1.00 0.00 C ATOM 425 NZ LYS A 27 48.920 39.552 19.450 1.00 0.00 N ATOM 0 H LYS A 27 44.973 43.737 18.108 1.00 0.00 H new ATOM 0 HA LYS A 27 47.049 45.545 18.676 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.989 42.778 17.440 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.470 43.626 17.837 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.522 43.876 20.220 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.280 42.735 19.744 1.00 0.00 H new ATOM 0 HD2 LYS A 27 49.272 42.195 19.691 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.172 41.668 20.950 1.00 0.00 H new ATOM 0 HE2 LYS A 27 46.945 40.268 19.308 1.00 0.00 H new ATOM 0 HE3 LYS A 27 48.013 40.815 18.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.528 38.625 19.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.812 39.710 18.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.100 39.573 20.474 1.00 0.00 H new ATOM 439 N ALA A 28 46.344 45.281 15.497 1.00 0.00 N ATOM 440 CA ALA A 28 46.519 45.950 14.223 1.00 0.00 C ATOM 441 C ALA A 28 46.102 47.421 14.258 1.00 0.00 C ATOM 442 O ALA A 28 46.726 48.246 13.594 1.00 0.00 O ATOM 443 CB ALA A 28 45.751 45.182 13.152 1.00 0.00 C ATOM 0 H ALA A 28 45.580 44.605 15.495 1.00 0.00 H new ATOM 0 HA ALA A 28 47.583 45.954 13.986 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.876 45.677 12.189 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.135 44.164 13.089 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.693 45.156 13.412 1.00 0.00 H new ATOM 449 N LYS A 29 45.115 47.798 15.066 1.00 0.00 N ATOM 450 CA LYS A 29 44.751 49.176 15.326 1.00 0.00 C ATOM 451 C LYS A 29 45.777 49.903 16.198 1.00 0.00 C ATOM 452 O LYS A 29 46.030 51.083 15.965 1.00 0.00 O ATOM 453 CB LYS A 29 43.346 49.239 15.918 1.00 0.00 C ATOM 454 CG LYS A 29 42.274 48.956 14.870 1.00 0.00 C ATOM 455 CD LYS A 29 40.886 48.846 15.493 1.00 0.00 C ATOM 456 CE LYS A 29 39.834 48.658 14.404 1.00 0.00 C ATOM 457 NZ LYS A 29 38.466 48.760 14.933 1.00 0.00 N ATOM 0 H LYS A 29 44.533 47.129 15.570 1.00 0.00 H new ATOM 0 HA LYS A 29 44.750 49.708 14.374 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.261 48.516 16.729 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.179 50.225 16.352 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.276 49.751 14.125 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.512 48.029 14.348 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.856 48.006 16.187 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.666 49.744 16.070 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.979 49.409 13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.969 47.684 13.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.789 48.779 14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.267 47.940 15.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.373 49.634 15.490 1.00 0.00 H new ATOM 471 N ILE A 30 46.427 49.213 17.131 1.00 0.00 N ATOM 472 CA ILE A 30 47.595 49.716 17.824 1.00 0.00 C ATOM 473 C ILE A 30 48.744 49.921 16.835 1.00 0.00 C ATOM 474 O ILE A 30 49.342 50.995 16.818 1.00 0.00 O ATOM 475 CB ILE A 30 47.988 48.799 18.979 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.895 48.803 20.046 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.328 49.197 19.591 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.068 47.703 21.089 1.00 0.00 C ATOM 0 H ILE A 30 46.149 48.277 17.426 1.00 0.00 H new ATOM 0 HA ILE A 30 47.355 50.685 18.262 1.00 0.00 H new ATOM 0 HB ILE A 30 48.099 47.791 18.579 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.889 49.771 20.546 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.925 48.687 19.563 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.570 48.519 20.409 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.107 49.140 18.830 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.266 50.217 19.971 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.259 47.762 21.817 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.045 46.730 20.599 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.024 47.831 21.597 1.00 0.00 H new ATOM 490 N GLN A 31 49.018 48.953 15.966 1.00 0.00 N ATOM 491 CA GLN A 31 50.007 49.051 14.912 1.00 0.00 C ATOM 492 C GLN A 31 49.755 50.252 13.998 1.00 0.00 C ATOM 493 O GLN A 31 50.706 50.940 13.632 1.00 0.00 O ATOM 494 CB GLN A 31 50.027 47.736 14.139 1.00 0.00 C ATOM 495 CG GLN A 31 51.147 47.614 13.108 1.00 0.00 C ATOM 496 CD GLN A 31 51.129 46.251 12.413 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.111 45.573 12.302 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.277 45.771 11.942 1.00 0.00 N ATOM 0 H GLN A 31 48.539 48.052 15.981 1.00 0.00 H new ATOM 0 HA GLN A 31 50.988 49.221 15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.116 46.915 14.850 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.070 47.615 13.631 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.044 48.404 12.364 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.110 47.761 13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.132 46.321 12.026 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.302 44.853 11.497 1.00 0.00 H new ATOM 507 N ASP A 32 48.500 50.575 13.697 1.00 0.00 N ATOM 508 CA ASP A 32 48.105 51.721 12.904 1.00 0.00 C ATOM 509 C ASP A 32 48.464 53.080 13.511 1.00 0.00 C ATOM 510 O ASP A 32 48.468 54.076 12.790 1.00 0.00 O ATOM 511 CB ASP A 32 46.611 51.621 12.616 1.00 0.00 C ATOM 512 CG ASP A 32 46.153 52.506 11.455 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.730 52.378 10.353 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.183 53.279 11.616 1.00 0.00 O ATOM 0 H ASP A 32 47.705 50.020 14.014 1.00 0.00 H new ATOM 0 HA ASP A 32 48.683 51.683 11.981 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.361 50.584 12.393 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.057 51.897 13.513 1.00 0.00 H new ATOM 519 N LYS A 33 48.803 53.154 14.795 1.00 0.00 N ATOM 520 CA LYS A 33 49.340 54.329 15.450 1.00 0.00 C ATOM 521 C LYS A 33 50.814 54.199 15.837 1.00 0.00 C ATOM 522 O LYS A 33 51.565 55.158 15.676 1.00 0.00 O ATOM 523 CB LYS A 33 48.494 54.706 16.663 1.00 0.00 C ATOM 524 CG LYS A 33 47.132 55.277 16.283 1.00 0.00 C ATOM 525 CD LYS A 33 46.333 55.785 17.480 1.00 0.00 C ATOM 526 CE LYS A 33 44.967 56.280 17.010 1.00 0.00 C ATOM 527 NZ LYS A 33 44.204 56.944 18.078 1.00 0.00 N ATOM 0 H LYS A 33 48.705 52.361 15.428 1.00 0.00 H new ATOM 0 HA LYS A 33 49.292 55.131 14.714 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.351 53.824 17.288 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.034 55.438 17.263 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.273 56.095 15.576 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.554 54.508 15.770 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.210 54.988 18.213 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.873 56.592 17.975 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.103 56.974 16.181 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.391 55.437 16.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.332 57.349 17.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.961 56.250 18.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.779 57.703 18.495 1.00 0.00 H new ATOM 541 N GLU A 34 51.235 53.050 16.359 1.00 0.00 N ATOM 542 CA GLU A 34 52.518 52.865 17.007 1.00 0.00 C ATOM 543 C GLU A 34 53.538 52.057 16.202 1.00 0.00 C ATOM 544 O GLU A 34 54.714 52.035 16.557 1.00 0.00 O ATOM 545 CB GLU A 34 52.295 52.227 18.374 1.00 0.00 C ATOM 546 CG GLU A 34 51.477 53.081 19.338 1.00 0.00 C ATOM 547 CD GLU A 34 52.174 54.406 19.654 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.339 54.377 20.107 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.591 55.483 19.404 1.00 0.00 O ATOM 0 H GLU A 34 50.671 52.200 16.339 1.00 0.00 H new ATOM 0 HA GLU A 34 52.960 53.857 17.100 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.792 51.270 18.238 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.264 52.016 18.826 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.497 53.280 18.905 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.311 52.528 20.262 1.00 0.00 H new ATOM 556 N GLY A 35 53.136 51.372 15.134 1.00 0.00 N ATOM 557 CA GLY A 35 54.036 50.652 14.256 1.00 0.00 C ATOM 558 C GLY A 35 54.669 49.386 14.839 1.00 0.00 C ATOM 559 O GLY A 35 55.665 48.904 14.305 1.00 0.00 O ATOM 0 H GLY A 35 52.157 51.305 14.855 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.490 50.379 13.353 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.835 51.328 13.953 1.00 0.00 H new ATOM 563 N ILE A 36 54.127 48.831 15.919 1.00 0.00 N ATOM 564 CA ILE A 36 54.616 47.628 16.563 1.00 0.00 C ATOM 565 C ILE A 36 53.917 46.411 15.955 1.00 0.00 C ATOM 566 O ILE A 36 52.688 46.384 15.983 1.00 0.00 O ATOM 567 CB ILE A 36 54.395 47.667 18.072 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.870 48.961 18.727 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.087 46.470 18.717 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.431 49.124 20.180 1.00 0.00 C ATOM 0 H ILE A 36 53.307 49.224 16.382 1.00 0.00 H new ATOM 0 HA ILE A 36 55.691 47.560 16.394 1.00 0.00 H new ATOM 0 HB ILE A 36 53.318 47.622 18.234 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.958 49.000 18.681 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.496 49.806 18.149 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.930 46.497 19.795 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.671 45.548 18.312 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.155 46.510 18.505 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.810 50.069 20.571 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.342 49.119 20.234 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.827 48.301 20.774 1.00 0.00 H new ATOM 582 N PRO A 37 54.610 45.383 15.472 1.00 0.00 N ATOM 583 CA PRO A 37 53.987 44.188 14.940 1.00 0.00 C ATOM 584 C PRO A 37 53.143 43.418 15.957 1.00 0.00 C ATOM 585 O PRO A 37 53.617 43.176 17.065 1.00 0.00 O ATOM 586 CB PRO A 37 55.124 43.321 14.408 1.00 0.00 C ATOM 587 CG PRO A 37 56.223 44.331 14.094 1.00 0.00 C ATOM 588 CD PRO A 37 56.034 45.359 15.206 1.00 0.00 C ATOM 0 HA PRO A 37 53.277 44.469 14.162 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.450 42.589 15.147 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.824 42.765 13.520 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.214 43.878 14.121 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.101 44.772 13.105 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.595 45.080 16.098 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.392 46.341 14.898 1.00 0.00 H new ATOM 596 N PRO A 38 51.932 42.976 15.628 1.00 0.00 N ATOM 597 CA PRO A 38 51.107 42.134 16.470 1.00 0.00 C ATOM 598 C PRO A 38 51.740 40.847 17.003 1.00 0.00 C ATOM 599 O PRO A 38 51.298 40.379 18.051 1.00 0.00 O ATOM 600 CB PRO A 38 49.870 41.813 15.636 1.00 0.00 C ATOM 601 CG PRO A 38 49.690 43.085 14.813 1.00 0.00 C ATOM 602 CD PRO A 38 51.136 43.484 14.530 1.00 0.00 C ATOM 0 HA PRO A 38 50.904 42.687 17.387 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.022 40.938 15.004 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.001 41.607 16.261 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.130 42.902 13.896 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.154 43.857 15.366 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.474 43.066 13.582 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.230 44.567 14.453 1.00 0.00 H new ATOM 610 N ASP A 39 52.766 40.299 16.360 1.00 0.00 N ATOM 611 CA ASP A 39 53.519 39.166 16.858 1.00 0.00 C ATOM 612 C ASP A 39 54.600 39.518 17.883 1.00 0.00 C ATOM 613 O ASP A 39 55.098 38.642 18.585 1.00 0.00 O ATOM 614 CB ASP A 39 54.077 38.327 15.712 1.00 0.00 C ATOM 615 CG ASP A 39 55.288 38.938 15.005 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.096 39.662 14.003 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.437 38.662 15.413 1.00 0.00 O ATOM 0 H ASP A 39 53.100 40.642 15.459 1.00 0.00 H new ATOM 0 HA ASP A 39 52.799 38.563 17.412 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.355 37.347 16.099 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.287 38.167 14.978 1.00 0.00 H new ATOM 622 N GLN A 40 54.953 40.794 18.008 1.00 0.00 N ATOM 623 CA GLN A 40 55.779 41.318 19.078 1.00 0.00 C ATOM 624 C GLN A 40 54.917 41.766 20.260 1.00 0.00 C ATOM 625 O GLN A 40 55.262 41.488 21.406 1.00 0.00 O ATOM 626 CB GLN A 40 56.662 42.449 18.561 1.00 0.00 C ATOM 627 CG GLN A 40 57.676 41.970 17.525 1.00 0.00 C ATOM 628 CD GLN A 40 58.584 43.061 16.954 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.744 44.161 17.478 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.229 42.787 15.823 1.00 0.00 N ATOM 0 H GLN A 40 54.660 41.510 17.343 1.00 0.00 H new ATOM 0 HA GLN A 40 56.433 40.524 19.437 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.034 43.223 18.120 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.190 42.905 19.398 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.300 41.200 17.979 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.137 41.500 16.702 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.108 41.879 15.374 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.844 43.485 15.405 1.00 0.00 H new ATOM 639 N GLN A 41 53.776 42.395 19.993 1.00 0.00 N ATOM 640 CA GLN A 41 52.795 42.795 20.982 1.00 0.00 C ATOM 641 C GLN A 41 52.139 41.606 21.688 1.00 0.00 C ATOM 642 O GLN A 41 51.832 40.600 21.051 1.00 0.00 O ATOM 643 CB GLN A 41 51.666 43.568 20.308 1.00 0.00 C ATOM 644 CG GLN A 41 51.954 44.908 19.638 1.00 0.00 C ATOM 645 CD GLN A 41 50.660 45.506 19.080 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.626 45.548 19.744 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.616 45.949 17.828 1.00 0.00 N ATOM 0 H GLN A 41 53.504 42.647 19.043 1.00 0.00 H new ATOM 0 HA GLN A 41 53.337 43.396 21.712 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.232 42.914 19.552 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.897 43.740 21.061 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.400 45.595 20.357 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.678 44.773 18.834 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.456 45.928 17.250 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.742 46.310 17.445 1.00 0.00 H new ATOM 656 N ARG A 42 51.778 41.749 22.959 1.00 0.00 N ATOM 657 CA ARG A 42 50.748 40.982 23.631 1.00 0.00 C ATOM 658 C ARG A 42 49.831 41.904 24.436 1.00 0.00 C ATOM 659 O ARG A 42 50.321 42.824 25.088 1.00 0.00 O ATOM 660 CB ARG A 42 51.332 39.946 24.587 1.00 0.00 C ATOM 661 CG ARG A 42 52.256 38.904 23.960 1.00 0.00 C ATOM 662 CD ARG A 42 51.554 37.951 22.996 1.00 0.00 C ATOM 663 NE ARG A 42 52.501 36.981 22.445 1.00 0.00 N ATOM 664 CZ ARG A 42 53.529 37.261 21.632 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.646 38.437 20.999 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.527 36.388 21.449 1.00 0.00 N ATOM 0 H ARG A 42 52.219 42.435 23.572 1.00 0.00 H new ATOM 0 HA ARG A 42 50.188 40.468 22.850 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.884 40.470 25.367 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.508 39.426 25.075 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.057 39.417 23.428 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.722 38.322 24.755 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.751 37.428 23.515 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.095 38.518 22.186 1.00 0.00 H new ATOM 0 HE ARG A 42 52.367 36.003 22.703 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.937 39.158 21.128 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.444 38.610 20.388 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.514 35.490 21.933 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.300 36.621 20.826 1.00 0.00 H new ATOM 680 N LEU A 43 48.527 41.643 24.412 1.00 0.00 N ATOM 681 CA LEU A 43 47.545 42.374 25.186 1.00 0.00 C ATOM 682 C LEU A 43 47.040 41.564 26.383 1.00 0.00 C ATOM 683 O LEU A 43 46.721 40.384 26.252 1.00 0.00 O ATOM 684 CB LEU A 43 46.397 42.848 24.300 1.00 0.00 C ATOM 685 CG LEU A 43 46.771 43.941 23.301 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.566 44.262 22.423 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.218 45.235 23.975 1.00 0.00 C ATOM 0 H LEU A 43 48.122 40.902 23.841 1.00 0.00 H new ATOM 0 HA LEU A 43 48.039 43.257 25.593 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.003 41.993 23.751 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.593 43.217 24.937 1.00 0.00 H new ATOM 0 HG LEU A 43 47.606 43.555 22.716 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.833 45.042 21.710 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.260 43.366 21.883 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.742 44.608 23.048 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.470 45.973 23.214 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.410 45.618 24.599 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.093 45.039 24.595 1.00 0.00 H new ATOM 699 N ILE A 44 46.956 42.225 27.533 1.00 0.00 N ATOM 700 CA ILE A 44 46.513 41.671 28.797 1.00 0.00 C ATOM 701 C ILE A 44 45.300 42.455 29.303 1.00 0.00 C ATOM 702 O ILE A 44 45.331 43.682 29.356 1.00 0.00 O ATOM 703 CB ILE A 44 47.662 41.626 29.800 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.792 40.728 29.303 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.193 41.173 31.179 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.062 40.740 30.149 1.00 0.00 C ATOM 0 H ILE A 44 47.209 43.210 27.607 1.00 0.00 H new ATOM 0 HA ILE A 44 46.195 40.638 28.659 1.00 0.00 H new ATOM 0 HB ILE A 44 48.043 42.643 29.894 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.422 39.704 29.249 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.050 41.027 28.287 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.041 41.154 31.864 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.440 41.866 31.553 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.763 40.174 31.107 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.799 40.069 29.708 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.467 41.752 30.184 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.828 40.408 31.161 1.00 0.00 H new ATOM 718 N PHE A 45 44.246 41.746 29.698 1.00 0.00 N ATOM 719 CA PHE A 45 43.051 42.289 30.310 1.00 0.00 C ATOM 720 C PHE A 45 42.712 41.530 31.594 1.00 0.00 C ATOM 721 O PHE A 45 42.591 40.307 31.577 1.00 0.00 O ATOM 722 CB PHE A 45 41.891 42.238 29.320 1.00 0.00 C ATOM 723 CG PHE A 45 40.572 42.702 29.893 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.302 44.068 30.031 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.625 41.765 30.323 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.102 44.497 30.612 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.425 42.190 30.904 1.00 0.00 C ATOM 728 CZ PHE A 45 38.161 43.558 31.051 1.00 0.00 C ATOM 0 H PHE A 45 44.206 40.732 29.593 1.00 0.00 H new ATOM 0 HA PHE A 45 43.231 43.330 30.577 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.137 42.855 28.456 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.779 41.215 28.960 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.023 44.795 29.688 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.821 40.709 30.206 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.902 45.553 30.721 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.701 41.462 31.240 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.236 43.887 31.501 1.00 0.00 H new ATOM 738 N ALA A 46 42.566 42.251 32.701 1.00 0.00 N ATOM 739 CA ALA A 46 42.316 41.699 34.017 1.00 0.00 C ATOM 740 C ALA A 46 43.233 40.526 34.366 1.00 0.00 C ATOM 741 O ALA A 46 42.776 39.452 34.754 1.00 0.00 O ATOM 742 CB ALA A 46 40.823 41.412 34.158 1.00 0.00 C ATOM 0 H ALA A 46 42.621 43.269 32.701 1.00 0.00 H new ATOM 0 HA ALA A 46 42.581 42.438 34.773 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.624 40.996 35.146 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.261 42.338 34.034 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.516 40.697 33.395 1.00 0.00 H new ATOM 748 N GLY A 47 44.537 40.688 34.163 1.00 0.00 N ATOM 749 CA GLY A 47 45.552 39.693 34.447 1.00 0.00 C ATOM 750 C GLY A 47 45.678 38.528 33.464 1.00 0.00 C ATOM 751 O GLY A 47 46.607 37.736 33.606 1.00 0.00 O ATOM 0 H GLY A 47 44.925 41.551 33.781 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.516 40.198 34.498 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.355 39.281 35.437 1.00 0.00 H new ATOM 755 N LYS A 48 44.803 38.404 32.469 1.00 0.00 N ATOM 756 CA LYS A 48 44.826 37.338 31.489 1.00 0.00 C ATOM 757 C LYS A 48 45.352 37.832 30.139 1.00 0.00 C ATOM 758 O LYS A 48 44.925 38.883 29.665 1.00 0.00 O ATOM 759 CB LYS A 48 43.450 36.694 31.351 1.00 0.00 C ATOM 760 CG LYS A 48 42.836 36.283 32.685 1.00 0.00 C ATOM 761 CD LYS A 48 41.707 35.270 32.520 1.00 0.00 C ATOM 762 CE LYS A 48 41.091 34.980 33.886 1.00 0.00 C ATOM 763 NZ LYS A 48 40.070 33.925 33.812 1.00 0.00 N ATOM 0 H LYS A 48 44.039 39.065 32.324 1.00 0.00 H new ATOM 0 HA LYS A 48 45.516 36.573 31.844 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.779 37.392 30.851 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.531 35.815 30.711 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.611 35.858 33.323 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.454 37.168 33.194 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.949 35.660 31.841 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.089 34.350 32.077 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.875 34.679 34.582 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.644 35.891 34.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.675 33.757 34.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.310 34.222 33.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.502 33.048 33.456 1.00 0.00 H new ATOM 777 N GLN A 49 46.268 37.094 29.519 1.00 0.00 N ATOM 778 CA GLN A 49 46.754 37.396 28.187 1.00 0.00 C ATOM 779 C GLN A 49 45.747 36.908 27.143 1.00 0.00 C ATOM 780 O GLN A 49 45.276 35.775 27.214 1.00 0.00 O ATOM 781 CB GLN A 49 48.154 36.823 27.985 1.00 0.00 C ATOM 782 CG GLN A 49 48.782 37.247 26.661 1.00 0.00 C ATOM 783 CD GLN A 49 50.236 36.782 26.542 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.169 37.460 26.967 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.498 35.617 25.957 1.00 0.00 N ATOM 0 H GLN A 49 46.693 36.265 29.934 1.00 0.00 H new ATOM 0 HA GLN A 49 46.845 38.475 28.062 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.795 37.145 28.805 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.106 35.735 28.027 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.201 36.836 25.836 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.740 38.332 26.571 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.735 35.043 25.599 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.462 35.297 25.866 1.00 0.00 H new ATOM 794 N LEU A 50 45.413 37.756 26.174 1.00 0.00 N ATOM 795 CA LEU A 50 44.385 37.496 25.188 1.00 0.00 C ATOM 796 C LEU A 50 44.917 36.711 23.986 1.00 0.00 C ATOM 797 O LEU A 50 46.062 36.888 23.576 1.00 0.00 O ATOM 798 CB LEU A 50 43.759 38.822 24.766 1.00 0.00 C ATOM 799 CG LEU A 50 43.171 39.673 25.886 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.543 40.938 25.309 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.099 38.929 26.679 1.00 0.00 C ATOM 0 H LEU A 50 45.864 38.663 26.056 1.00 0.00 H new ATOM 0 HA LEU A 50 43.620 36.863 25.638 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.518 39.411 24.250 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.970 38.614 24.043 1.00 0.00 H new ATOM 0 HG LEU A 50 43.994 39.918 26.557 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.126 41.539 26.117 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.304 41.515 24.784 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.750 40.665 24.613 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.712 39.578 27.465 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.286 38.642 26.012 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.533 38.035 27.127 1.00 0.00 H new ATOM 813 N GLU A 51 44.079 35.857 23.403 1.00 0.00 N ATOM 814 CA GLU A 51 44.352 35.141 22.174 1.00 0.00 C ATOM 815 C GLU A 51 44.043 35.992 20.941 1.00 0.00 C ATOM 816 O GLU A 51 43.660 37.155 21.060 1.00 0.00 O ATOM 817 CB GLU A 51 43.618 33.803 22.184 1.00 0.00 C ATOM 818 CG GLU A 51 44.165 32.859 23.250 1.00 0.00 C ATOM 819 CD GLU A 51 43.612 31.443 23.081 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.784 30.987 23.899 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.006 30.773 22.101 1.00 0.00 O ATOM 0 H GLU A 51 43.161 35.642 23.792 1.00 0.00 H new ATOM 0 HA GLU A 51 45.419 34.928 22.114 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.556 33.973 22.361 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.706 33.334 21.204 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.253 32.835 23.193 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.906 33.236 24.239 1.00 0.00 H new ATOM 828 N ASP A 52 44.267 35.478 19.736 1.00 0.00 N ATOM 829 CA ASP A 52 44.298 36.261 18.517 1.00 0.00 C ATOM 830 C ASP A 52 43.048 36.193 17.639 1.00 0.00 C ATOM 831 O ASP A 52 42.719 37.176 16.978 1.00 0.00 O ATOM 832 CB ASP A 52 45.549 35.895 17.722 1.00 0.00 C ATOM 833 CG ASP A 52 46.814 36.341 18.458 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.580 35.479 18.942 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.034 37.565 18.587 1.00 0.00 O ATOM 0 H ASP A 52 44.435 34.484 19.582 1.00 0.00 H new ATOM 0 HA ASP A 52 44.323 37.303 18.838 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.579 34.818 17.559 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.511 36.365 16.739 1.00 0.00 H new ATOM 840 N GLY A 53 42.334 35.071 17.616 1.00 0.00 N ATOM 841 CA GLY A 53 41.120 34.902 16.842 1.00 0.00 C ATOM 842 C GLY A 53 39.855 35.405 17.539 1.00 0.00 C ATOM 843 O GLY A 53 38.935 35.865 16.866 1.00 0.00 O ATOM 0 H GLY A 53 42.593 34.240 18.148 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.232 35.427 15.893 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.996 33.845 16.608 1.00 0.00 H new ATOM 847 N ARG A 54 39.803 35.345 18.867 1.00 0.00 N ATOM 848 CA ARG A 54 38.658 35.728 19.669 1.00 0.00 C ATOM 849 C ARG A 54 38.407 37.237 19.641 1.00 0.00 C ATOM 850 O ARG A 54 39.312 38.021 19.362 1.00 0.00 O ATOM 851 CB ARG A 54 38.797 35.177 21.084 1.00 0.00 C ATOM 852 CG ARG A 54 38.662 33.657 21.103 1.00 0.00 C ATOM 853 CD ARG A 54 38.903 33.051 22.482 1.00 0.00 C ATOM 854 NE ARG A 54 37.719 33.166 23.334 1.00 0.00 N ATOM 855 CZ ARG A 54 37.661 33.110 24.672 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.721 32.978 25.480 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.465 33.162 25.275 1.00 0.00 N ATOM 0 H ARG A 54 40.588 35.016 19.429 1.00 0.00 H new ATOM 0 HA ARG A 54 37.768 35.280 19.227 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.765 35.463 21.495 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.035 35.620 21.725 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.664 33.383 20.762 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.370 33.227 20.395 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.176 32.001 22.376 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.745 33.553 22.959 1.00 0.00 H new ATOM 0 HE ARG A 54 36.831 33.306 22.852 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.659 32.912 25.084 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.590 32.943 26.491 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.615 33.243 24.716 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.405 33.120 26.292 1.00 0.00 H new ATOM 871 N THR A 55 37.169 37.641 19.915 1.00 0.00 N ATOM 872 CA THR A 55 36.700 39.010 19.843 1.00 0.00 C ATOM 873 C THR A 55 36.590 39.710 21.199 1.00 0.00 C ATOM 874 O THR A 55 36.523 39.068 22.245 1.00 0.00 O ATOM 875 CB THR A 55 35.384 39.138 19.081 1.00 0.00 C ATOM 876 OG1 THR A 55 34.325 38.479 19.740 1.00 0.00 O ATOM 877 CG2 THR A 55 35.451 38.577 17.664 1.00 0.00 C ATOM 0 H THR A 55 36.439 36.990 20.205 1.00 0.00 H new ATOM 0 HA THR A 55 37.481 39.526 19.284 1.00 0.00 H new ATOM 0 HB THR A 55 35.202 40.212 19.037 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.395 37.513 19.588 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.483 38.699 17.178 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.212 39.112 17.096 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.706 37.518 17.704 1.00 0.00 H new ATOM 885 N LEU A 56 36.515 41.038 21.175 1.00 0.00 N ATOM 886 CA LEU A 56 36.175 41.835 22.337 1.00 0.00 C ATOM 887 C LEU A 56 34.854 41.398 22.973 1.00 0.00 C ATOM 888 O LEU A 56 34.766 41.350 24.198 1.00 0.00 O ATOM 889 CB LEU A 56 36.136 43.310 21.947 1.00 0.00 C ATOM 890 CG LEU A 56 37.485 43.956 21.643 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.265 45.354 21.072 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.349 44.114 22.891 1.00 0.00 C ATOM 0 H LEU A 56 36.691 41.591 20.337 1.00 0.00 H new ATOM 0 HA LEU A 56 36.946 41.681 23.092 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.498 43.417 21.070 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.662 43.867 22.755 1.00 0.00 H new ATOM 0 HG LEU A 56 37.993 43.300 20.936 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.229 45.814 20.855 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.682 45.284 20.154 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.727 45.963 21.798 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.297 44.578 22.621 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.831 44.743 23.615 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.537 43.134 23.330 1.00 0.00 H new ATOM 904 N SER A 57 33.864 41.007 22.175 1.00 0.00 N ATOM 905 CA SER A 57 32.610 40.427 22.611 1.00 0.00 C ATOM 906 C SER A 57 32.782 39.082 23.318 1.00 0.00 C ATOM 907 O SER A 57 32.172 38.878 24.366 1.00 0.00 O ATOM 908 CB SER A 57 31.694 40.255 21.403 1.00 0.00 C ATOM 909 OG SER A 57 30.414 39.797 21.777 1.00 0.00 O ATOM 0 H SER A 57 33.923 41.093 21.160 1.00 0.00 H new ATOM 0 HA SER A 57 32.174 41.111 23.339 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.601 41.206 20.879 1.00 0.00 H new ATOM 0 HB3 SER A 57 32.143 39.549 20.704 1.00 0.00 H new ATOM 0 HG SER A 57 29.855 39.700 20.978 1.00 0.00 H new ATOM 915 N ASP A 58 33.637 38.194 22.818 1.00 0.00 N ATOM 916 CA ASP A 58 33.923 36.917 23.441 1.00 0.00 C ATOM 917 C ASP A 58 34.585 37.073 24.812 1.00 0.00 C ATOM 918 O ASP A 58 34.266 36.322 25.731 1.00 0.00 O ATOM 919 CB ASP A 58 34.830 36.055 22.569 1.00 0.00 C ATOM 920 CG ASP A 58 34.245 35.671 21.209 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.145 35.079 21.142 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.908 35.960 20.189 1.00 0.00 O ATOM 0 H ASP A 58 34.156 38.350 21.954 1.00 0.00 H new ATOM 0 HA ASP A 58 32.956 36.430 23.564 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.767 36.588 22.407 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.073 35.143 23.114 1.00 0.00 H new ATOM 927 N TYR A 59 35.450 38.068 24.984 1.00 0.00 N ATOM 928 CA TYR A 59 36.043 38.430 26.256 1.00 0.00 C ATOM 929 C TYR A 59 35.191 39.377 27.104 1.00 0.00 C ATOM 930 O TYR A 59 35.564 39.671 28.238 1.00 0.00 O ATOM 931 CB TYR A 59 37.443 38.991 26.026 1.00 0.00 C ATOM 932 CG TYR A 59 38.456 37.976 25.552 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.829 36.927 26.401 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.042 38.097 24.286 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.800 36.002 25.997 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.024 37.186 23.877 1.00 0.00 C ATOM 937 CZ TYR A 59 40.402 36.130 24.730 1.00 0.00 C ATOM 938 OH TYR A 59 41.353 35.245 24.316 1.00 0.00 O ATOM 0 H TYR A 59 35.764 38.660 24.215 1.00 0.00 H new ATOM 0 HA TYR A 59 36.103 37.515 26.845 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.382 39.795 25.292 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.800 39.435 26.956 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.366 36.831 27.372 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.736 38.894 23.624 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.086 35.194 26.654 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.491 37.293 22.909 1.00 0.00 H new ATOM 0 HH TYR A 59 41.188 34.371 24.727 1.00 0.00 H new ATOM 948 N ASN A 60 34.051 39.840 26.601 1.00 0.00 N ATOM 949 CA ASN A 60 33.147 40.776 27.238 1.00 0.00 C ATOM 950 C ASN A 60 33.779 42.110 27.643 1.00 0.00 C ATOM 951 O ASN A 60 33.470 42.665 28.696 1.00 0.00 O ATOM 952 CB ASN A 60 32.378 40.076 28.355 1.00 0.00 C ATOM 953 CG ASN A 60 30.998 40.687 28.611 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.344 41.216 27.716 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.482 40.577 29.832 1.00 0.00 N ATOM 0 H ASN A 60 33.719 39.550 25.681 1.00 0.00 H new ATOM 0 HA ASN A 60 32.426 41.092 26.484 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.260 39.022 28.102 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.964 40.120 29.273 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.545 40.932 30.024 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.023 40.138 30.577 1.00 0.00 H new ATOM 962 N ILE A 61 34.704 42.629 26.840 1.00 0.00 N ATOM 963 CA ILE A 61 35.430 43.853 27.114 1.00 0.00 C ATOM 964 C ILE A 61 34.580 45.047 26.676 1.00 0.00 C ATOM 965 O ILE A 61 34.132 45.116 25.533 1.00 0.00 O ATOM 966 CB ILE A 61 36.823 43.810 26.494 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.641 42.686 27.125 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.540 45.146 26.671 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.010 42.424 26.505 1.00 0.00 C ATOM 0 H ILE A 61 34.972 42.193 25.958 1.00 0.00 H new ATOM 0 HA ILE A 61 35.604 43.965 28.184 1.00 0.00 H new ATOM 0 HB ILE A 61 36.718 43.619 25.426 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.781 42.915 28.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.059 41.766 27.072 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.531 45.090 26.221 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.965 45.935 26.186 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.637 45.369 27.734 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.498 41.606 27.034 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.889 42.156 25.455 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.622 43.323 26.582 1.00 0.00 H new ATOM 981 N GLN A 62 34.315 45.968 27.598 1.00 0.00 N ATOM 982 CA GLN A 62 33.321 47.014 27.458 1.00 0.00 C ATOM 983 C GLN A 62 33.889 48.365 27.022 1.00 0.00 C ATOM 984 O GLN A 62 35.090 48.604 27.125 1.00 0.00 O ATOM 985 CB GLN A 62 32.594 47.188 28.788 1.00 0.00 C ATOM 986 CG GLN A 62 32.060 45.933 29.475 1.00 0.00 C ATOM 987 CD GLN A 62 30.954 45.187 28.728 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.775 45.272 27.515 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.154 44.405 29.447 1.00 0.00 N ATOM 0 H GLN A 62 34.806 46.003 28.491 1.00 0.00 H new ATOM 0 HA GLN A 62 32.646 46.693 26.664 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.274 47.685 29.479 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.755 47.864 28.625 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.892 45.247 29.635 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.684 46.212 30.459 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.291 44.325 30.455 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.404 43.886 28.991 1.00 0.00 H new ATOM 998 N LYS A 63 33.014 49.300 26.660 1.00 0.00 N ATOM 999 CA LYS A 63 33.292 50.710 26.481 1.00 0.00 C ATOM 1000 C LYS A 63 34.153 51.286 27.606 1.00 0.00 C ATOM 1001 O LYS A 63 33.895 51.037 28.781 1.00 0.00 O ATOM 1002 CB LYS A 63 31.949 51.425 26.365 1.00 0.00 C ATOM 1003 CG LYS A 63 32.022 52.945 26.238 1.00 0.00 C ATOM 1004 CD LYS A 63 30.641 53.546 25.991 1.00 0.00 C ATOM 1005 CE LYS A 63 30.714 55.069 25.927 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.424 55.681 25.571 1.00 0.00 N ATOM 0 H LYS A 63 32.037 49.073 26.475 1.00 0.00 H new ATOM 0 HA LYS A 63 33.881 50.858 25.576 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.421 51.030 25.497 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.350 51.180 27.242 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.448 53.368 27.148 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.690 53.212 25.419 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.233 53.158 25.058 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.961 53.244 26.787 1.00 0.00 H new ATOM 0 HE2 LYS A 63 31.041 55.455 26.893 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.466 55.363 25.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.527 56.715 25.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.122 55.336 24.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.710 55.425 26.283 1.00 0.00 H new ATOM 1020 N GLU A 64 35.171 52.063 27.245 1.00 0.00 N ATOM 1021 CA GLU A 64 36.140 52.700 28.114 1.00 0.00 C ATOM 1022 C GLU A 64 37.007 51.762 28.957 1.00 0.00 C ATOM 1023 O GLU A 64 37.708 52.227 29.853 1.00 0.00 O ATOM 1024 CB GLU A 64 35.495 53.815 28.933 1.00 0.00 C ATOM 1025 CG GLU A 64 35.025 54.991 28.084 1.00 0.00 C ATOM 1026 CD GLU A 64 34.224 55.995 28.916 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.059 56.270 28.555 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.750 56.513 29.925 1.00 0.00 O ATOM 0 H GLU A 64 35.348 52.276 26.263 1.00 0.00 H new ATOM 0 HA GLU A 64 36.868 53.147 27.437 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.645 53.409 29.481 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.210 54.173 29.673 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.887 55.489 27.641 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.410 54.625 27.261 1.00 0.00 H new ATOM 1035 N SER A 65 37.017 50.461 28.682 1.00 0.00 N ATOM 1036 CA SER A 65 37.903 49.530 29.353 1.00 0.00 C ATOM 1037 C SER A 65 39.374 49.762 29.004 1.00 0.00 C ATOM 1038 O SER A 65 39.696 50.310 27.953 1.00 0.00 O ATOM 1039 CB SER A 65 37.556 48.077 29.039 1.00 0.00 C ATOM 1040 OG SER A 65 36.213 47.801 29.368 1.00 0.00 O ATOM 0 H SER A 65 36.409 50.028 27.987 1.00 0.00 H new ATOM 0 HA SER A 65 37.757 49.717 30.417 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.724 47.879 27.980 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.216 47.412 29.596 1.00 0.00 H new ATOM 0 HG SER A 65 35.620 48.310 28.777 1.00 0.00 H new ATOM 1046 N THR A 66 40.267 49.302 29.876 1.00 0.00 N ATOM 1047 CA THR A 66 41.703 49.436 29.742 1.00 0.00 C ATOM 1048 C THR A 66 42.399 48.075 29.657 1.00 0.00 C ATOM 1049 O THR A 66 42.011 47.118 30.322 1.00 0.00 O ATOM 1050 CB THR A 66 42.313 50.309 30.836 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.297 49.666 32.090 1.00 0.00 O ATOM 1052 CG2 THR A 66 41.580 51.635 31.015 1.00 0.00 C ATOM 0 H THR A 66 39.993 48.808 30.725 1.00 0.00 H new ATOM 0 HA THR A 66 41.875 49.950 28.796 1.00 0.00 H new ATOM 0 HB THR A 66 43.335 50.491 30.503 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.697 50.254 32.764 1.00 0.00 H new ATOM 0 HG21 THR A 66 42.059 52.212 31.806 1.00 0.00 H new ATOM 0 HG22 THR A 66 41.615 52.199 30.083 1.00 0.00 H new ATOM 0 HG23 THR A 66 40.541 51.443 31.284 1.00 0.00 H new ATOM 1060 N LEU A 67 43.446 47.994 28.842 1.00 0.00 N ATOM 1061 CA LEU A 67 44.316 46.843 28.704 1.00 0.00 C ATOM 1062 C LEU A 67 45.772 47.255 28.929 1.00 0.00 C ATOM 1063 O LEU A 67 46.117 48.417 28.730 1.00 0.00 O ATOM 1064 CB LEU A 67 44.163 46.191 27.332 1.00 0.00 C ATOM 1065 CG LEU A 67 42.780 45.645 26.987 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.900 46.676 26.286 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.917 44.461 26.034 1.00 0.00 C ATOM 0 H LEU A 67 43.719 48.767 28.235 1.00 0.00 H new ATOM 0 HA LEU A 67 44.027 46.111 29.459 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.439 46.924 26.574 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.880 45.373 27.261 1.00 0.00 H new ATOM 0 HG LEU A 67 42.318 45.361 27.933 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.929 46.234 26.064 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.765 47.541 26.935 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.377 46.990 25.357 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.928 44.074 25.790 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.415 44.785 25.120 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.506 43.677 26.510 1.00 0.00 H new ATOM 1079 N HIS A 68 46.639 46.307 29.275 1.00 0.00 N ATOM 1080 CA HIS A 68 48.076 46.491 29.277 1.00 0.00 C ATOM 1081 C HIS A 68 48.698 45.913 28.003 1.00 0.00 C ATOM 1082 O HIS A 68 48.317 44.831 27.565 1.00 0.00 O ATOM 1083 CB HIS A 68 48.708 45.864 30.517 1.00 0.00 C ATOM 1084 CG HIS A 68 48.185 46.391 31.825 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.168 45.812 32.583 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.693 47.459 32.518 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.052 46.558 33.684 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.967 47.541 33.691 1.00 0.00 N ATOM 0 H HIS A 68 46.350 45.373 29.567 1.00 0.00 H new ATOM 0 HA HIS A 68 48.277 47.562 29.302 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.547 44.786 30.485 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.785 46.026 30.480 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.500 48.107 32.209 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.322 46.393 34.463 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.102 48.228 34.433 1.00 0.00 H new ATOM 1096 N LEU A 69 49.685 46.607 27.442 1.00 0.00 N ATOM 1097 CA LEU A 69 50.544 46.133 26.376 1.00 0.00 C ATOM 1098 C LEU A 69 51.914 45.751 26.938 1.00 0.00 C ATOM 1099 O LEU A 69 52.557 46.553 27.613 1.00 0.00 O ATOM 1100 CB LEU A 69 50.642 47.214 25.304 1.00 0.00 C ATOM 1101 CG LEU A 69 51.637 46.954 24.175 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.312 45.708 23.355 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.663 48.140 23.215 1.00 0.00 C ATOM 0 H LEU A 69 49.913 47.557 27.736 1.00 0.00 H new ATOM 0 HA LEU A 69 50.125 45.236 25.919 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.654 47.352 24.865 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.910 48.153 25.788 1.00 0.00 H new ATOM 0 HG LEU A 69 52.601 46.805 24.661 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.059 45.584 22.571 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.319 44.833 24.005 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.326 45.817 22.903 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.376 47.944 22.414 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.670 48.286 22.790 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.962 49.039 23.755 1.00 0.00 H new ATOM 1115 N VAL A 70 52.392 44.556 26.599 1.00 0.00 N ATOM 1116 CA VAL A 70 53.756 44.115 26.807 1.00 0.00 C ATOM 1117 C VAL A 70 54.317 43.538 25.506 1.00 0.00 C ATOM 1118 O VAL A 70 53.555 43.136 24.628 1.00 0.00 O ATOM 1119 CB VAL A 70 53.884 43.120 27.957 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.436 43.734 29.281 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.113 41.821 27.734 1.00 0.00 C ATOM 0 H VAL A 70 51.811 43.845 26.155 1.00 0.00 H new ATOM 0 HA VAL A 70 54.346 44.985 27.096 1.00 0.00 H new ATOM 0 HB VAL A 70 54.945 42.875 27.996 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.541 42.997 30.078 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.054 44.603 29.507 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.393 44.041 29.205 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.251 41.164 28.593 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.053 42.043 27.614 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.484 41.327 26.836 1.00 0.00 H new