USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 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 6 LYS NZ :NH3+ -148:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 91:sc= 0.884 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.24 (180deg=1.17) USER MOD Single : A 2 GLN : amide:sc= 0.978 K(o=0.98,f=-0.52) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -100:sc= 0.0461 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0699 USER MOD Single : A 25 ASN : amide:sc= -0.0251 K(o=-0.025,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.37 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ -111:sc= 0.267 (180deg=-0.102) USER MOD Single : A 31 GLN : amide:sc= -1.03 X(o=-1,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.931) USER MOD Single : A 40 GLN : amide:sc=-0.00119 K(o=-0.0012,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 0.746 K(o=0.75,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.32 K(o=1.3,f=-6.4!) USER MOD Single : A 55 THR OG1 : rot -88:sc= 0.637 USER MOD Single : A 57 SER OG : rot 59:sc= 1.24 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.59 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 100:sc= 0.0101 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.555 52.042 20.244 1.00 0.00 N ATOM 2 CA MET A 1 33.079 52.292 21.595 1.00 0.00 C ATOM 3 C MET A 1 34.572 52.622 21.566 1.00 0.00 C ATOM 4 O MET A 1 35.289 52.074 20.731 1.00 0.00 O ATOM 5 CB MET A 1 32.784 51.142 22.553 1.00 0.00 C ATOM 6 CG MET A 1 33.403 49.795 22.188 1.00 0.00 C ATOM 7 SD MET A 1 33.016 48.476 23.364 1.00 0.00 S ATOM 8 CE MET A 1 34.099 47.170 22.735 1.00 0.00 C ATOM 0 H1 MET A 1 31.591 51.658 20.311 1.00 0.00 H new ATOM 0 H2 MET A 1 32.537 52.933 19.708 1.00 0.00 H new ATOM 0 H3 MET A 1 33.167 51.357 19.756 1.00 0.00 H new ATOM 0 HA MET A 1 32.552 53.166 21.977 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.133 51.423 23.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.703 51.018 22.619 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.054 49.501 21.198 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.485 49.907 22.125 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.986 46.277 23.349 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.829 46.939 21.705 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.135 47.507 22.772 1.00 0.00 H new ATOM 20 N GLN A 2 35.067 53.446 22.484 1.00 0.00 N ATOM 21 CA GLN A 2 36.487 53.664 22.675 1.00 0.00 C ATOM 22 C GLN A 2 37.105 52.664 23.654 1.00 0.00 C ATOM 23 O GLN A 2 36.442 52.212 24.584 1.00 0.00 O ATOM 24 CB GLN A 2 36.807 55.118 23.011 1.00 0.00 C ATOM 25 CG GLN A 2 36.353 55.620 24.380 1.00 0.00 C ATOM 26 CD GLN A 2 36.797 57.054 24.673 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.520 57.698 23.915 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.384 57.645 25.789 1.00 0.00 N ATOM 0 H GLN A 2 34.481 53.985 23.122 1.00 0.00 H new ATOM 0 HA GLN A 2 36.969 53.469 21.717 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.886 55.255 22.939 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.354 55.751 22.248 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.266 55.564 24.438 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.748 54.959 25.152 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.783 57.141 26.441 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.668 58.603 25.994 1.00 0.00 H new ATOM 37 N ILE A 3 38.383 52.344 23.464 1.00 0.00 N ATOM 38 CA ILE A 3 39.179 51.499 24.331 1.00 0.00 C ATOM 39 C ILE A 3 40.580 52.074 24.540 1.00 0.00 C ATOM 40 O ILE A 3 41.112 52.755 23.665 1.00 0.00 O ATOM 41 CB ILE A 3 39.263 50.061 23.828 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.838 49.952 22.419 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.905 49.373 23.930 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.306 48.547 22.049 1.00 0.00 C ATOM 0 H ILE A 3 38.911 52.687 22.661 1.00 0.00 H new ATOM 0 HA ILE A 3 38.666 51.479 25.293 1.00 0.00 H new ATOM 0 HB ILE A 3 39.966 49.542 24.480 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.082 50.273 21.703 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.678 50.640 22.326 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.988 48.349 23.566 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.579 49.363 24.970 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.176 49.915 23.327 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.701 48.551 21.033 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.086 48.229 22.741 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.465 47.856 22.108 1.00 0.00 H new ATOM 56 N PHE A 4 41.206 51.754 25.669 1.00 0.00 N ATOM 57 CA PHE A 4 42.524 52.238 26.025 1.00 0.00 C ATOM 58 C PHE A 4 43.536 51.104 26.210 1.00 0.00 C ATOM 59 O PHE A 4 43.186 50.024 26.682 1.00 0.00 O ATOM 60 CB PHE A 4 42.431 53.093 27.285 1.00 0.00 C ATOM 61 CG PHE A 4 41.407 54.199 27.223 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.648 55.340 26.447 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.205 54.084 27.933 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.697 56.365 26.389 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.249 55.106 27.875 1.00 0.00 C ATOM 66 CZ PHE A 4 39.496 56.245 27.098 1.00 0.00 C ATOM 0 H PHE A 4 40.798 51.138 26.372 1.00 0.00 H new ATOM 0 HA PHE A 4 42.890 52.845 25.197 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.196 52.446 28.130 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.409 53.532 27.482 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.570 55.429 25.892 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.014 53.203 28.528 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.890 57.248 25.798 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.325 55.016 28.427 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.758 57.032 27.046 1.00 0.00 H new ATOM 76 N VAL A 5 44.805 51.353 25.900 1.00 0.00 N ATOM 77 CA VAL A 5 45.904 50.439 26.132 1.00 0.00 C ATOM 78 C VAL A 5 47.055 51.173 26.823 1.00 0.00 C ATOM 79 O VAL A 5 47.509 52.202 26.328 1.00 0.00 O ATOM 80 CB VAL A 5 46.359 49.779 24.833 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.543 48.843 25.057 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.250 48.951 24.189 1.00 0.00 C ATOM 0 H VAL A 5 45.100 52.228 25.466 1.00 0.00 H new ATOM 0 HA VAL A 5 45.561 49.641 26.790 1.00 0.00 H new ATOM 0 HB VAL A 5 46.642 50.603 24.177 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.836 48.394 24.108 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.381 49.408 25.465 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.259 48.058 25.758 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.620 48.501 23.268 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.937 48.165 24.876 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.400 49.595 23.962 1.00 0.00 H new ATOM 92 N LYS A 6 47.525 50.656 27.955 1.00 0.00 N ATOM 93 CA LYS A 6 48.547 51.246 28.795 1.00 0.00 C ATOM 94 C LYS A 6 49.910 50.580 28.594 1.00 0.00 C ATOM 95 O LYS A 6 50.020 49.361 28.702 1.00 0.00 O ATOM 96 CB LYS A 6 48.079 51.187 30.246 1.00 0.00 C ATOM 97 CG LYS A 6 48.810 52.167 31.159 1.00 0.00 C ATOM 98 CD LYS A 6 48.279 53.590 31.011 1.00 0.00 C ATOM 99 CE LYS A 6 49.247 54.575 31.660 1.00 0.00 C ATOM 100 NZ LYS A 6 48.849 55.968 31.404 1.00 0.00 N ATOM 0 H LYS A 6 47.182 49.769 28.324 1.00 0.00 H new ATOM 0 HA LYS A 6 48.691 52.289 28.511 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.010 51.395 30.284 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.220 50.175 30.625 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.703 51.846 32.195 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.875 52.152 30.929 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.153 53.832 29.956 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.297 53.671 31.477 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.283 54.397 32.735 1.00 0.00 H new ATOM 0 HE3 LYS A 6 50.253 54.406 31.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.698 56.567 31.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.328 56.021 30.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.240 56.303 32.178 1.00 0.00 H new ATOM 168 N LYS A 11 52.632 55.381 29.155 1.00 0.00 N ATOM 169 CA LYS A 11 51.830 56.106 28.190 1.00 0.00 C ATOM 170 C LYS A 11 50.495 55.399 27.949 1.00 0.00 C ATOM 171 O LYS A 11 50.312 54.255 28.357 1.00 0.00 O ATOM 172 CB LYS A 11 52.608 56.259 26.887 1.00 0.00 C ATOM 173 CG LYS A 11 53.970 56.931 27.033 1.00 0.00 C ATOM 174 CD LYS A 11 54.719 56.875 25.704 1.00 0.00 C ATOM 175 CE LYS A 11 56.137 57.439 25.760 1.00 0.00 C ATOM 176 NZ LYS A 11 56.136 58.893 25.982 1.00 0.00 N ATOM 0 HA LYS A 11 51.611 57.097 28.588 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.750 55.272 26.447 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.006 56.837 26.186 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.843 57.967 27.346 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.550 56.433 27.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.765 55.839 25.369 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.150 57.427 24.956 1.00 0.00 H new ATOM 0 HE2 LYS A 11 56.692 56.949 26.560 1.00 0.00 H new ATOM 0 HE3 LYS A 11 56.655 57.214 24.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 57.116 59.240 26.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.628 59.362 25.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 55.664 59.106 26.884 1.00 0.00 H new ATOM 190 N THR A 12 49.581 56.050 27.235 1.00 0.00 N ATOM 191 CA THR A 12 48.316 55.481 26.815 1.00 0.00 C ATOM 192 C THR A 12 48.112 55.585 25.303 1.00 0.00 C ATOM 193 O THR A 12 48.431 56.604 24.696 1.00 0.00 O ATOM 194 CB THR A 12 47.143 56.120 27.551 1.00 0.00 C ATOM 195 OG1 THR A 12 47.425 56.265 28.925 1.00 0.00 O ATOM 196 CG2 THR A 12 45.856 55.306 27.457 1.00 0.00 C ATOM 0 H THR A 12 49.709 57.014 26.927 1.00 0.00 H new ATOM 0 HA THR A 12 48.352 54.423 27.075 1.00 0.00 H new ATOM 0 HB THR A 12 47.001 57.084 27.063 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.832 57.142 29.085 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.062 55.817 28.002 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.568 55.200 26.411 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.017 54.319 27.891 1.00 0.00 H new ATOM 204 N ILE A 13 47.550 54.537 24.705 1.00 0.00 N ATOM 205 CA ILE A 13 47.115 54.455 23.326 1.00 0.00 C ATOM 206 C ILE A 13 45.587 54.355 23.325 1.00 0.00 C ATOM 207 O ILE A 13 45.024 53.573 24.086 1.00 0.00 O ATOM 208 CB ILE A 13 47.751 53.267 22.611 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.274 53.271 22.716 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.320 53.225 21.148 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.942 51.991 22.221 1.00 0.00 C ATOM 0 H ILE A 13 47.378 53.668 25.211 1.00 0.00 H new ATOM 0 HA ILE A 13 47.432 55.344 22.781 1.00 0.00 H new ATOM 0 HB ILE A 13 47.395 52.368 23.114 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.663 54.114 22.145 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.554 53.434 23.757 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.785 52.370 20.656 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.236 53.131 21.091 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.631 54.143 20.650 1.00 0.00 H new ATOM 0 HD11 ILE A 13 51.023 52.079 22.331 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.585 51.144 22.807 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.696 51.835 21.171 1.00 0.00 H new ATOM 223 N THR A 14 44.909 55.113 22.467 1.00 0.00 N ATOM 224 CA THR A 14 43.465 55.189 22.393 1.00 0.00 C ATOM 225 C THR A 14 42.984 54.759 21.006 1.00 0.00 C ATOM 226 O THR A 14 43.548 55.209 20.011 1.00 0.00 O ATOM 227 CB THR A 14 42.980 56.600 22.717 1.00 0.00 C ATOM 228 OG1 THR A 14 43.461 56.999 23.979 1.00 0.00 O ATOM 229 CG2 THR A 14 41.458 56.709 22.766 1.00 0.00 C ATOM 0 H THR A 14 45.373 55.710 21.783 1.00 0.00 H new ATOM 0 HA THR A 14 43.044 54.509 23.134 1.00 0.00 H new ATOM 0 HB THR A 14 43.357 57.236 21.917 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.756 56.883 24.649 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.174 57.735 23.000 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.042 56.430 21.798 1.00 0.00 H new ATOM 0 HG23 THR A 14 41.070 56.040 23.534 1.00 0.00 H new ATOM 237 N LEU A 15 41.971 53.901 20.934 1.00 0.00 N ATOM 238 CA LEU A 15 41.400 53.375 19.710 1.00 0.00 C ATOM 239 C LEU A 15 39.877 53.268 19.798 1.00 0.00 C ATOM 240 O LEU A 15 39.312 53.280 20.889 1.00 0.00 O ATOM 241 CB LEU A 15 42.014 52.013 19.392 1.00 0.00 C ATOM 242 CG LEU A 15 43.473 52.022 18.947 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.958 50.584 18.779 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.678 52.741 17.616 1.00 0.00 C ATOM 0 H LEU A 15 41.509 53.540 21.769 1.00 0.00 H new ATOM 0 HA LEU A 15 41.632 54.071 18.904 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.929 51.383 20.278 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.419 51.543 18.609 1.00 0.00 H new ATOM 0 HG LEU A 15 44.035 52.553 19.716 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.001 50.586 18.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.870 50.057 19.729 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.350 50.081 18.027 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.734 52.717 17.348 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.096 52.244 16.840 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.351 53.777 17.708 1.00 0.00 H new ATOM 256 N GLU A 16 39.217 53.133 18.651 1.00 0.00 N ATOM 257 CA GLU A 16 37.779 53.017 18.526 1.00 0.00 C ATOM 258 C GLU A 16 37.404 51.740 17.773 1.00 0.00 C ATOM 259 O GLU A 16 37.942 51.458 16.704 1.00 0.00 O ATOM 260 CB GLU A 16 37.197 54.257 17.852 1.00 0.00 C ATOM 261 CG GLU A 16 37.307 55.502 18.728 1.00 0.00 C ATOM 262 CD GLU A 16 36.951 56.758 17.930 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.865 57.385 17.350 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.757 57.118 17.848 1.00 0.00 O ATOM 0 H GLU A 16 39.695 53.101 17.750 1.00 0.00 H new ATOM 0 HA GLU A 16 37.347 52.950 19.525 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.716 54.432 16.910 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.149 54.078 17.610 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.641 55.409 19.586 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.321 55.589 19.119 1.00 0.00 H new ATOM 271 N VAL A 17 36.511 50.947 18.358 1.00 0.00 N ATOM 272 CA VAL A 17 36.190 49.582 17.991 1.00 0.00 C ATOM 273 C VAL A 17 34.710 49.285 18.243 1.00 0.00 C ATOM 274 O VAL A 17 34.041 50.023 18.963 1.00 0.00 O ATOM 275 CB VAL A 17 37.032 48.593 18.791 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.521 48.705 18.474 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.840 48.750 20.296 1.00 0.00 C ATOM 0 H VAL A 17 35.959 51.268 19.153 1.00 0.00 H new ATOM 0 HA VAL A 17 36.408 49.470 16.929 1.00 0.00 H new ATOM 0 HB VAL A 17 36.677 47.608 18.487 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.075 47.980 19.070 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.684 48.505 17.415 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.869 49.711 18.711 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.461 48.023 20.820 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.128 49.757 20.596 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.793 48.582 20.549 1.00 0.00 H new ATOM 287 N GLU A 18 34.207 48.169 17.723 1.00 0.00 N ATOM 288 CA GLU A 18 32.905 47.625 18.056 1.00 0.00 C ATOM 289 C GLU A 18 33.028 46.243 18.701 1.00 0.00 C ATOM 290 O GLU A 18 34.039 45.577 18.496 1.00 0.00 O ATOM 291 CB GLU A 18 32.010 47.597 16.820 1.00 0.00 C ATOM 292 CG GLU A 18 31.714 48.971 16.224 1.00 0.00 C ATOM 293 CD GLU A 18 30.985 49.900 17.197 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.843 49.579 17.594 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.500 50.980 17.558 1.00 0.00 O ATOM 0 H GLU A 18 34.713 47.606 17.039 1.00 0.00 H new ATOM 0 HA GLU A 18 32.437 48.277 18.794 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.483 46.978 16.058 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.067 47.117 17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.650 49.437 15.917 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.110 48.849 15.325 1.00 0.00 H new ATOM 302 N PRO A 19 32.050 45.763 19.464 1.00 0.00 N ATOM 303 CA PRO A 19 32.208 44.580 20.287 1.00 0.00 C ATOM 304 C PRO A 19 32.533 43.273 19.561 1.00 0.00 C ATOM 305 O PRO A 19 32.984 42.323 20.197 1.00 0.00 O ATOM 306 CB PRO A 19 30.916 44.444 21.088 1.00 0.00 C ATOM 307 CG PRO A 19 30.394 45.876 21.162 1.00 0.00 C ATOM 308 CD PRO A 19 30.803 46.421 19.796 1.00 0.00 C ATOM 0 HA PRO A 19 33.094 44.732 20.904 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.205 43.782 20.594 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.100 44.031 22.080 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.315 45.912 21.311 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.848 46.436 21.980 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.039 46.212 19.047 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.929 47.503 19.829 1.00 0.00 H new ATOM 316 N SER A 20 32.304 43.192 18.253 1.00 0.00 N ATOM 317 CA SER A 20 32.612 42.057 17.408 1.00 0.00 C ATOM 318 C SER A 20 33.989 42.114 16.743 1.00 0.00 C ATOM 319 O SER A 20 34.356 41.168 16.051 1.00 0.00 O ATOM 320 CB SER A 20 31.519 41.910 16.352 1.00 0.00 C ATOM 321 OG SER A 20 31.354 43.118 15.644 1.00 0.00 O ATOM 0 H SER A 20 31.877 43.959 17.734 1.00 0.00 H new ATOM 0 HA SER A 20 32.646 41.185 18.061 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.778 41.108 15.660 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.580 41.629 16.828 1.00 0.00 H new ATOM 0 HG SER A 20 30.652 43.008 14.969 1.00 0.00 H new ATOM 327 N ASP A 21 34.758 43.183 16.929 1.00 0.00 N ATOM 328 CA ASP A 21 36.099 43.297 16.392 1.00 0.00 C ATOM 329 C ASP A 21 37.067 42.364 17.123 1.00 0.00 C ATOM 330 O ASP A 21 36.910 42.087 18.311 1.00 0.00 O ATOM 331 CB ASP A 21 36.572 44.748 16.414 1.00 0.00 C ATOM 332 CG ASP A 21 35.798 45.681 15.480 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.247 45.223 14.455 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.816 46.908 15.713 1.00 0.00 O ATOM 0 H ASP A 21 34.459 43.999 17.463 1.00 0.00 H new ATOM 0 HA ASP A 21 36.078 42.980 15.349 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.493 45.127 17.433 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.627 44.777 16.143 1.00 0.00 H new ATOM 339 N THR A 22 38.068 41.855 16.410 1.00 0.00 N ATOM 340 CA THR A 22 39.045 40.918 16.924 1.00 0.00 C ATOM 341 C THR A 22 40.222 41.586 17.639 1.00 0.00 C ATOM 342 O THR A 22 40.631 42.694 17.298 1.00 0.00 O ATOM 343 CB THR A 22 39.587 39.965 15.862 1.00 0.00 C ATOM 344 OG1 THR A 22 40.117 40.659 14.755 1.00 0.00 O ATOM 345 CG2 THR A 22 38.539 38.974 15.365 1.00 0.00 C ATOM 0 H THR A 22 38.220 42.094 15.430 1.00 0.00 H new ATOM 0 HA THR A 22 38.481 40.341 17.657 1.00 0.00 H new ATOM 0 HB THR A 22 40.382 39.408 16.357 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.456 40.016 14.097 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.982 38.323 14.612 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.182 38.372 16.201 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.702 39.518 14.927 1.00 0.00 H new ATOM 353 N ILE A 23 40.845 40.853 18.557 1.00 0.00 N ATOM 354 CA ILE A 23 42.112 41.224 19.157 1.00 0.00 C ATOM 355 C ILE A 23 43.199 41.349 18.089 1.00 0.00 C ATOM 356 O ILE A 23 44.032 42.250 18.167 1.00 0.00 O ATOM 357 CB ILE A 23 42.484 40.219 20.244 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.451 40.114 21.362 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.868 40.480 20.830 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.186 41.388 22.159 1.00 0.00 C ATOM 0 H ILE A 23 40.473 39.970 18.907 1.00 0.00 H new ATOM 0 HA ILE A 23 42.017 42.203 19.627 1.00 0.00 H new ATOM 0 HB ILE A 23 42.501 39.257 19.732 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.509 39.780 20.927 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.775 39.338 22.055 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.084 39.738 21.598 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.616 40.413 20.040 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.894 41.477 21.271 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.435 41.189 22.924 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.109 41.718 22.635 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.824 42.168 21.489 1.00 0.00 H new ATOM 372 N GLU A 24 43.170 40.531 17.041 1.00 0.00 N ATOM 373 CA GLU A 24 44.020 40.668 15.875 1.00 0.00 C ATOM 374 C GLU A 24 43.892 42.039 15.210 1.00 0.00 C ATOM 375 O GLU A 24 44.907 42.661 14.903 1.00 0.00 O ATOM 376 CB GLU A 24 43.679 39.561 14.882 1.00 0.00 C ATOM 377 CG GLU A 24 44.583 39.555 13.652 1.00 0.00 C ATOM 378 CD GLU A 24 44.263 38.356 12.757 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.105 37.436 12.675 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.154 38.296 12.183 1.00 0.00 O ATOM 0 H GLU A 24 42.535 39.735 16.983 1.00 0.00 H new ATOM 0 HA GLU A 24 45.056 40.579 16.201 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.753 38.596 15.384 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.643 39.675 14.563 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.450 40.480 13.091 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.627 39.517 13.961 1.00 0.00 H new ATOM 387 N ASN A 25 42.673 42.536 15.021 1.00 0.00 N ATOM 388 CA ASN A 25 42.450 43.842 14.434 1.00 0.00 C ATOM 389 C ASN A 25 42.880 44.971 15.373 1.00 0.00 C ATOM 390 O ASN A 25 43.474 45.946 14.916 1.00 0.00 O ATOM 391 CB ASN A 25 41.003 43.968 13.967 1.00 0.00 C ATOM 392 CG ASN A 25 40.792 45.138 13.004 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.728 45.678 12.417 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.550 45.547 12.764 1.00 0.00 N ATOM 0 H ASN A 25 41.817 42.041 15.272 1.00 0.00 H new ATOM 0 HA ASN A 25 43.085 43.942 13.553 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.702 43.042 13.478 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.356 44.096 14.835 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.381 46.301 12.099 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.766 45.106 13.245 1.00 0.00 H new ATOM 401 N VAL A 26 42.696 44.835 16.683 1.00 0.00 N ATOM 402 CA VAL A 26 43.236 45.765 17.655 1.00 0.00 C ATOM 403 C VAL A 26 44.761 45.836 17.570 1.00 0.00 C ATOM 404 O VAL A 26 45.312 46.932 17.485 1.00 0.00 O ATOM 405 CB VAL A 26 42.769 45.441 19.071 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.408 46.341 20.125 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.258 45.610 19.204 1.00 0.00 C ATOM 0 H VAL A 26 42.164 44.070 17.097 1.00 0.00 H new ATOM 0 HA VAL A 26 42.846 46.752 17.408 1.00 0.00 H new ATOM 0 HB VAL A 26 43.069 44.407 19.241 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.038 46.064 21.112 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.491 46.222 20.097 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.152 47.380 19.920 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.954 45.372 20.223 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.986 46.640 18.975 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.754 44.938 18.509 1.00 0.00 H new ATOM 417 N LYS A 27 45.457 44.704 17.502 1.00 0.00 N ATOM 418 CA LYS A 27 46.896 44.663 17.339 1.00 0.00 C ATOM 419 C LYS A 27 47.352 45.250 16.001 1.00 0.00 C ATOM 420 O LYS A 27 48.360 45.951 15.956 1.00 0.00 O ATOM 421 CB LYS A 27 47.418 43.243 17.536 1.00 0.00 C ATOM 422 CG LYS A 27 47.291 42.764 18.980 1.00 0.00 C ATOM 423 CD LYS A 27 47.838 41.350 19.155 1.00 0.00 C ATOM 424 CE LYS A 27 47.701 40.924 20.614 1.00 0.00 C ATOM 425 NZ LYS A 27 48.297 39.600 20.850 1.00 0.00 N ATOM 0 H LYS A 27 45.026 43.781 17.560 1.00 0.00 H new ATOM 0 HA LYS A 27 47.328 45.298 18.113 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.869 42.565 16.883 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.464 43.200 17.234 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.828 43.446 19.639 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.244 42.789 19.281 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.296 40.657 18.511 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.884 41.314 18.852 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.184 41.661 21.256 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.647 40.904 20.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 47.894 39.187 21.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.092 38.978 20.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.327 39.697 20.960 1.00 0.00 H new ATOM 439 N ALA A 28 46.582 45.046 14.935 1.00 0.00 N ATOM 440 CA ALA A 28 46.824 45.641 13.637 1.00 0.00 C ATOM 441 C ALA A 28 46.671 47.163 13.652 1.00 0.00 C ATOM 442 O ALA A 28 47.520 47.857 13.096 1.00 0.00 O ATOM 443 CB ALA A 28 45.897 44.996 12.611 1.00 0.00 C ATOM 0 H ALA A 28 45.756 44.448 14.957 1.00 0.00 H new ATOM 0 HA ALA A 28 47.861 45.450 13.360 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.074 45.440 11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.094 43.925 12.565 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.860 45.162 12.902 1.00 0.00 H new ATOM 449 N LYS A 29 45.664 47.691 14.342 1.00 0.00 N ATOM 450 CA LYS A 29 45.477 49.114 14.548 1.00 0.00 C ATOM 451 C LYS A 29 46.636 49.745 15.322 1.00 0.00 C ATOM 452 O LYS A 29 47.076 50.826 14.938 1.00 0.00 O ATOM 453 CB LYS A 29 44.156 49.396 15.258 1.00 0.00 C ATOM 454 CG LYS A 29 42.962 49.344 14.308 1.00 0.00 C ATOM 455 CD LYS A 29 41.665 49.809 14.963 1.00 0.00 C ATOM 456 CE LYS A 29 40.671 50.152 13.857 1.00 0.00 C ATOM 457 NZ LYS A 29 39.390 50.642 14.387 1.00 0.00 N ATOM 0 H LYS A 29 44.940 47.122 14.782 1.00 0.00 H new ATOM 0 HA LYS A 29 45.452 49.572 13.559 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.013 48.668 16.057 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.201 50.379 15.727 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.168 49.967 13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.836 48.324 13.946 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.263 49.027 15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.848 50.679 15.594 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.105 50.910 13.204 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.493 49.268 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.647 49.937 14.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.476 50.799 15.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.140 51.537 13.919 1.00 0.00 H new ATOM 471 N ILE A 30 47.155 49.075 16.347 1.00 0.00 N ATOM 472 CA ILE A 30 48.323 49.503 17.088 1.00 0.00 C ATOM 473 C ILE A 30 49.570 49.525 16.200 1.00 0.00 C ATOM 474 O ILE A 30 50.370 50.450 16.318 1.00 0.00 O ATOM 475 CB ILE A 30 48.498 48.659 18.348 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.352 48.902 19.326 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.827 48.952 19.041 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.260 47.908 20.480 1.00 0.00 C ATOM 0 H ILE A 30 46.760 48.199 16.689 1.00 0.00 H new ATOM 0 HA ILE A 30 48.172 50.531 17.416 1.00 0.00 H new ATOM 0 HB ILE A 30 48.493 47.614 18.037 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.455 49.905 19.739 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.413 48.880 18.773 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.916 48.333 19.934 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.649 48.729 18.361 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.866 50.004 19.324 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.414 48.167 21.117 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.121 46.902 20.084 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.179 47.944 21.065 1.00 0.00 H new ATOM 490 N GLN A 31 49.722 48.598 15.259 1.00 0.00 N ATOM 491 CA GLN A 31 50.808 48.646 14.301 1.00 0.00 C ATOM 492 C GLN A 31 50.692 49.859 13.374 1.00 0.00 C ATOM 493 O GLN A 31 51.675 50.575 13.199 1.00 0.00 O ATOM 494 CB GLN A 31 50.901 47.339 13.518 1.00 0.00 C ATOM 495 CG GLN A 31 52.181 47.240 12.694 1.00 0.00 C ATOM 496 CD GLN A 31 52.291 45.931 11.910 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.303 45.321 11.504 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.499 45.431 11.666 1.00 0.00 N ATOM 0 H GLN A 31 49.097 47.800 15.144 1.00 0.00 H new ATOM 0 HA GLN A 31 51.738 48.764 14.857 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.854 46.500 14.212 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.039 47.254 12.856 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.224 48.078 11.998 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.041 47.333 13.357 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.330 45.922 11.995 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.594 44.556 11.150 1.00 0.00 H new ATOM 507 N ASP A 32 49.520 50.140 12.812 1.00 0.00 N ATOM 508 CA ASP A 32 49.337 51.273 11.928 1.00 0.00 C ATOM 509 C ASP A 32 49.372 52.636 12.620 1.00 0.00 C ATOM 510 O ASP A 32 49.789 53.615 12.004 1.00 0.00 O ATOM 511 CB ASP A 32 48.043 51.124 11.134 1.00 0.00 C ATOM 512 CG ASP A 32 48.177 50.213 9.912 1.00 0.00 C ATOM 513 OD1 ASP A 32 49.178 50.307 9.170 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.251 49.407 9.675 1.00 0.00 O ATOM 0 H ASP A 32 48.676 49.587 12.960 1.00 0.00 H new ATOM 0 HA ASP A 32 50.198 51.259 11.260 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.268 50.727 11.789 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.711 52.110 10.808 1.00 0.00 H new ATOM 519 N LYS A 33 48.938 52.740 13.873 1.00 0.00 N ATOM 520 CA LYS A 33 48.908 53.976 14.629 1.00 0.00 C ATOM 521 C LYS A 33 50.225 54.279 15.347 1.00 0.00 C ATOM 522 O LYS A 33 50.632 55.438 15.376 1.00 0.00 O ATOM 523 CB LYS A 33 47.713 53.982 15.578 1.00 0.00 C ATOM 524 CG LYS A 33 47.399 55.371 16.125 1.00 0.00 C ATOM 525 CD LYS A 33 46.101 55.410 16.925 1.00 0.00 C ATOM 526 CE LYS A 33 45.777 56.841 17.345 1.00 0.00 C ATOM 527 NZ LYS A 33 44.506 56.930 18.082 1.00 0.00 N ATOM 0 H LYS A 33 48.589 51.940 14.400 1.00 0.00 H new ATOM 0 HA LYS A 33 48.785 54.791 13.916 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.838 53.596 15.055 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.912 53.306 16.409 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.222 55.702 16.759 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.332 56.076 15.297 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.285 55.007 16.326 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.191 54.777 17.808 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.584 57.226 17.968 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.727 57.475 16.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.469 57.829 18.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.712 56.886 17.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.437 56.138 18.753 1.00 0.00 H new ATOM 541 N GLU A 34 50.879 53.275 15.924 1.00 0.00 N ATOM 542 CA GLU A 34 51.998 53.427 16.831 1.00 0.00 C ATOM 543 C GLU A 34 53.222 52.577 16.487 1.00 0.00 C ATOM 544 O GLU A 34 54.220 52.638 17.202 1.00 0.00 O ATOM 545 CB GLU A 34 51.530 53.166 18.260 1.00 0.00 C ATOM 546 CG GLU A 34 50.573 54.217 18.817 1.00 0.00 C ATOM 547 CD GLU A 34 51.226 55.587 19.002 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.253 55.699 19.707 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.690 56.604 18.510 1.00 0.00 O ATOM 0 H GLU A 34 50.630 52.299 15.763 1.00 0.00 H new ATOM 0 HA GLU A 34 52.343 54.456 16.726 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.041 52.193 18.296 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.403 53.108 18.910 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.721 54.316 18.145 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.185 53.874 19.776 1.00 0.00 H new ATOM 556 N GLY A 35 53.206 51.816 15.397 1.00 0.00 N ATOM 557 CA GLY A 35 54.387 51.229 14.796 1.00 0.00 C ATOM 558 C GLY A 35 54.990 50.009 15.495 1.00 0.00 C ATOM 559 O GLY A 35 56.158 49.701 15.269 1.00 0.00 O ATOM 0 H GLY A 35 52.346 51.588 14.898 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.141 50.946 13.773 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.156 52.000 14.737 1.00 0.00 H new ATOM 563 N ILE A 36 54.231 49.305 16.331 1.00 0.00 N ATOM 564 CA ILE A 36 54.659 48.107 17.024 1.00 0.00 C ATOM 565 C ILE A 36 54.175 46.872 16.262 1.00 0.00 C ATOM 566 O ILE A 36 52.962 46.704 16.146 1.00 0.00 O ATOM 567 CB ILE A 36 54.180 48.110 18.473 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.645 49.360 19.212 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.668 46.854 19.189 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.144 49.481 20.648 1.00 0.00 C ATOM 0 H ILE A 36 53.269 49.567 16.548 1.00 0.00 H new ATOM 0 HA ILE A 36 55.748 48.082 17.056 1.00 0.00 H new ATOM 0 HB ILE A 36 53.090 48.116 18.468 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.735 49.375 19.220 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.318 50.237 18.654 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.321 46.866 20.222 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.275 45.972 18.684 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.758 46.826 19.173 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.527 50.401 21.091 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.054 49.502 20.653 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.493 48.627 21.228 1.00 0.00 H new ATOM 582 N PRO A 37 55.037 45.979 15.785 1.00 0.00 N ATOM 583 CA PRO A 37 54.628 44.754 15.130 1.00 0.00 C ATOM 584 C PRO A 37 53.715 43.886 15.999 1.00 0.00 C ATOM 585 O PRO A 37 53.995 43.726 17.184 1.00 0.00 O ATOM 586 CB PRO A 37 55.910 44.010 14.766 1.00 0.00 C ATOM 587 CG PRO A 37 56.933 45.134 14.630 1.00 0.00 C ATOM 588 CD PRO A 37 56.476 46.127 15.696 1.00 0.00 C ATOM 0 HA PRO A 37 54.034 44.990 14.247 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.195 43.296 15.539 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.801 43.449 13.838 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.949 44.783 14.812 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.922 45.575 13.633 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.950 45.917 16.655 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.748 47.147 15.422 1.00 0.00 H new ATOM 596 N PRO A 38 52.657 43.290 15.455 1.00 0.00 N ATOM 597 CA PRO A 38 51.644 42.613 16.239 1.00 0.00 C ATOM 598 C PRO A 38 52.181 41.412 17.020 1.00 0.00 C ATOM 599 O PRO A 38 51.715 41.160 18.129 1.00 0.00 O ATOM 600 CB PRO A 38 50.543 42.222 15.259 1.00 0.00 C ATOM 601 CG PRO A 38 51.268 42.130 13.919 1.00 0.00 C ATOM 602 CD PRO A 38 52.292 43.253 14.053 1.00 0.00 C ATOM 0 HA PRO A 38 51.265 43.276 17.017 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.083 41.272 15.532 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.747 42.966 15.233 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.740 41.159 13.774 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.595 42.286 13.076 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.164 43.064 13.427 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.871 44.206 13.733 1.00 0.00 H new ATOM 610 N ASP A 39 53.215 40.738 16.525 1.00 0.00 N ATOM 611 CA ASP A 39 53.828 39.610 17.200 1.00 0.00 C ATOM 612 C ASP A 39 54.554 39.975 18.496 1.00 0.00 C ATOM 613 O ASP A 39 54.894 39.084 19.271 1.00 0.00 O ATOM 614 CB ASP A 39 54.741 38.856 16.237 1.00 0.00 C ATOM 615 CG ASP A 39 55.993 39.643 15.846 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.099 40.039 14.666 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.879 39.845 16.705 1.00 0.00 O ATOM 0 H ASP A 39 53.653 40.967 15.632 1.00 0.00 H new ATOM 0 HA ASP A 39 53.014 38.956 17.512 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.041 37.914 16.695 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.181 38.608 15.336 1.00 0.00 H new ATOM 622 N GLN A 40 54.787 41.258 18.762 1.00 0.00 N ATOM 623 CA GLN A 40 55.401 41.747 19.980 1.00 0.00 C ATOM 624 C GLN A 40 54.386 42.093 21.072 1.00 0.00 C ATOM 625 O GLN A 40 54.782 42.290 22.217 1.00 0.00 O ATOM 626 CB GLN A 40 56.239 42.986 19.679 1.00 0.00 C ATOM 627 CG GLN A 40 57.354 42.752 18.665 1.00 0.00 C ATOM 628 CD GLN A 40 58.185 44.009 18.400 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.107 45.009 19.111 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.023 44.001 17.368 1.00 0.00 N ATOM 0 H GLN A 40 54.544 42.004 18.111 1.00 0.00 H new ATOM 0 HA GLN A 40 56.024 40.935 20.356 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.583 43.773 19.307 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.678 43.349 20.608 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.008 41.959 19.027 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.920 42.404 17.728 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.093 43.175 16.774 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.596 44.821 17.170 1.00 0.00 H new ATOM 639 N GLN A 41 53.108 42.229 20.727 1.00 0.00 N ATOM 640 CA GLN A 41 52.107 42.868 21.556 1.00 0.00 C ATOM 641 C GLN A 41 51.383 41.870 22.462 1.00 0.00 C ATOM 642 O GLN A 41 50.407 41.254 22.038 1.00 0.00 O ATOM 643 CB GLN A 41 51.104 43.616 20.683 1.00 0.00 C ATOM 644 CG GLN A 41 51.654 44.732 19.801 1.00 0.00 C ATOM 645 CD GLN A 41 50.532 45.371 18.979 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.393 45.479 19.427 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.759 45.803 17.741 1.00 0.00 N ATOM 0 H GLN A 41 52.738 41.887 19.840 1.00 0.00 H new ATOM 0 HA GLN A 41 52.623 43.576 22.205 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.606 42.890 20.040 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.340 44.043 21.333 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.135 45.489 20.421 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.419 44.333 19.134 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.693 45.728 17.338 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.999 46.209 17.195 1.00 0.00 H new ATOM 656 N ARG A 42 51.804 41.734 23.716 1.00 0.00 N ATOM 657 CA ARG A 42 51.106 40.951 24.716 1.00 0.00 C ATOM 658 C ARG A 42 50.057 41.833 25.396 1.00 0.00 C ATOM 659 O ARG A 42 50.415 42.681 26.210 1.00 0.00 O ATOM 660 CB ARG A 42 52.093 40.373 25.726 1.00 0.00 C ATOM 661 CG ARG A 42 53.146 39.427 25.157 1.00 0.00 C ATOM 662 CD ARG A 42 54.233 39.086 26.173 1.00 0.00 C ATOM 663 NE ARG A 42 53.703 38.387 27.344 1.00 0.00 N ATOM 664 CZ ARG A 42 54.391 37.926 28.397 1.00 0.00 C ATOM 665 NH1 ARG A 42 55.715 38.076 28.539 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.729 37.283 29.368 1.00 0.00 N ATOM 0 H ARG A 42 52.655 42.174 24.066 1.00 0.00 H new ATOM 0 HA ARG A 42 50.601 40.110 24.241 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.603 41.199 26.221 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.530 39.841 26.493 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.663 38.508 24.824 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.603 39.883 24.279 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.991 38.465 25.695 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.727 40.003 26.494 1.00 0.00 H new ATOM 0 HE ARG A 42 52.695 38.233 27.360 1.00 0.00 H new ATOM 0 HH11 ARG A 42 56.253 38.563 27.822 1.00 0.00 H new ATOM 0 HH12 ARG A 42 56.185 37.703 29.364 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.720 37.152 29.297 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.234 36.924 30.178 1.00 0.00 H new ATOM 680 N LEU A 43 48.781 41.675 25.055 1.00 0.00 N ATOM 681 CA LEU A 43 47.679 42.438 25.606 1.00 0.00 C ATOM 682 C LEU A 43 46.993 41.681 26.747 1.00 0.00 C ATOM 683 O LEU A 43 46.632 40.518 26.582 1.00 0.00 O ATOM 684 CB LEU A 43 46.683 42.794 24.507 1.00 0.00 C ATOM 685 CG LEU A 43 47.184 43.781 23.455 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.143 43.936 22.351 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.452 45.166 24.039 1.00 0.00 C ATOM 0 H LEU A 43 48.482 40.987 24.364 1.00 0.00 H new ATOM 0 HA LEU A 43 48.079 43.362 26.023 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.382 41.876 24.003 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.789 43.210 24.972 1.00 0.00 H new ATOM 0 HG LEU A 43 48.118 43.376 23.066 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.507 44.641 21.604 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.965 42.969 21.880 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.212 44.308 22.778 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.806 45.831 23.251 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.532 45.566 24.465 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.210 45.092 24.819 1.00 0.00 H new ATOM 699 N ILE A 44 46.806 42.330 27.892 1.00 0.00 N ATOM 700 CA ILE A 44 46.385 41.716 29.135 1.00 0.00 C ATOM 701 C ILE A 44 45.167 42.430 29.727 1.00 0.00 C ATOM 702 O ILE A 44 45.165 43.653 29.853 1.00 0.00 O ATOM 703 CB ILE A 44 47.544 41.648 30.125 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.853 41.202 29.482 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.181 40.726 31.286 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.040 41.021 30.425 1.00 0.00 C ATOM 0 H ILE A 44 46.951 43.336 27.977 1.00 0.00 H new ATOM 0 HA ILE A 44 46.077 40.693 28.920 1.00 0.00 H new ATOM 0 HB ILE A 44 47.709 42.661 30.493 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.677 40.257 28.967 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.128 41.933 28.722 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.013 40.682 31.989 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.297 41.111 31.794 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.974 39.726 30.905 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.913 40.703 29.855 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.257 41.966 30.923 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.799 40.264 31.172 1.00 0.00 H new ATOM 718 N PHE A 45 44.155 41.666 30.126 1.00 0.00 N ATOM 719 CA PHE A 45 42.982 42.135 30.836 1.00 0.00 C ATOM 720 C PHE A 45 42.501 41.131 31.886 1.00 0.00 C ATOM 721 O PHE A 45 42.431 39.934 31.614 1.00 0.00 O ATOM 722 CB PHE A 45 41.872 42.462 29.840 1.00 0.00 C ATOM 723 CG PHE A 45 40.651 43.094 30.463 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.660 44.450 30.810 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.520 42.315 30.735 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.547 45.028 31.435 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.404 42.891 31.353 1.00 0.00 C ATOM 728 CZ PHE A 45 38.419 44.246 31.707 1.00 0.00 C ATOM 0 H PHE A 45 44.134 40.661 29.953 1.00 0.00 H new ATOM 0 HA PHE A 45 43.256 43.041 31.376 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.268 43.135 29.079 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.574 41.545 29.331 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.529 45.054 30.595 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.509 41.269 30.468 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.560 46.073 31.706 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.530 42.290 31.557 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.560 44.687 32.190 1.00 0.00 H new ATOM 738 N ALA A 46 42.159 41.610 33.078 1.00 0.00 N ATOM 739 CA ALA A 46 41.858 40.804 34.243 1.00 0.00 C ATOM 740 C ALA A 46 42.942 39.774 34.570 1.00 0.00 C ATOM 741 O ALA A 46 42.661 38.648 34.975 1.00 0.00 O ATOM 742 CB ALA A 46 40.447 40.231 34.148 1.00 0.00 C ATOM 0 H ALA A 46 42.083 42.611 33.260 1.00 0.00 H new ATOM 0 HA ALA A 46 41.870 41.460 35.114 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.239 39.628 35.032 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.726 41.047 34.087 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.366 39.608 33.257 1.00 0.00 H new ATOM 748 N GLY A 47 44.205 40.112 34.335 1.00 0.00 N ATOM 749 CA GLY A 47 45.346 39.235 34.500 1.00 0.00 C ATOM 750 C GLY A 47 45.531 38.178 33.410 1.00 0.00 C ATOM 751 O GLY A 47 46.544 37.481 33.434 1.00 0.00 O ATOM 0 H GLY A 47 44.467 41.043 34.011 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.248 39.846 34.545 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.256 38.728 35.461 1.00 0.00 H new ATOM 755 N LYS A 48 44.615 38.041 32.457 1.00 0.00 N ATOM 756 CA LYS A 48 44.651 37.063 31.389 1.00 0.00 C ATOM 757 C LYS A 48 45.137 37.683 30.077 1.00 0.00 C ATOM 758 O LYS A 48 44.750 38.799 29.739 1.00 0.00 O ATOM 759 CB LYS A 48 43.274 36.424 31.226 1.00 0.00 C ATOM 760 CG LYS A 48 42.704 35.763 32.477 1.00 0.00 C ATOM 761 CD LYS A 48 43.532 34.608 33.030 1.00 0.00 C ATOM 762 CE LYS A 48 42.809 33.985 34.222 1.00 0.00 C ATOM 763 NZ LYS A 48 43.444 32.731 34.653 1.00 0.00 N ATOM 0 H LYS A 48 43.791 38.640 32.411 1.00 0.00 H new ATOM 0 HA LYS A 48 45.367 36.285 31.656 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.575 37.190 30.890 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.331 35.676 30.435 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.600 36.520 33.254 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.702 35.397 32.252 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.691 33.858 32.256 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.516 34.965 33.335 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.801 34.692 35.052 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.769 33.793 33.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.924 32.339 35.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.429 32.047 33.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 44.429 32.918 34.931 1.00 0.00 H new ATOM 777 N GLN A 49 45.982 36.972 29.336 1.00 0.00 N ATOM 778 CA GLN A 49 46.493 37.430 28.060 1.00 0.00 C ATOM 779 C GLN A 49 45.506 37.125 26.930 1.00 0.00 C ATOM 780 O GLN A 49 45.028 36.000 26.808 1.00 0.00 O ATOM 781 CB GLN A 49 47.855 36.815 27.750 1.00 0.00 C ATOM 782 CG GLN A 49 48.901 36.989 28.847 1.00 0.00 C ATOM 783 CD GLN A 49 50.275 36.509 28.374 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.194 37.293 28.150 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.472 35.208 28.182 1.00 0.00 N ATOM 0 H GLN A 49 46.331 36.054 29.612 1.00 0.00 H new ATOM 0 HA GLN A 49 46.617 38.511 28.131 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.722 35.750 27.560 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.237 37.258 26.830 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.958 38.038 29.137 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.601 36.429 29.733 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.718 34.546 28.364 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.377 34.872 27.853 1.00 0.00 H new ATOM 794 N LEU A 50 45.204 38.117 26.098 1.00 0.00 N ATOM 795 CA LEU A 50 44.137 38.068 25.117 1.00 0.00 C ATOM 796 C LEU A 50 44.618 37.512 23.776 1.00 0.00 C ATOM 797 O LEU A 50 45.598 37.999 23.215 1.00 0.00 O ATOM 798 CB LEU A 50 43.517 39.454 24.964 1.00 0.00 C ATOM 799 CG LEU A 50 43.072 40.131 26.257 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.457 41.490 25.930 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.051 39.306 27.033 1.00 0.00 C ATOM 0 H LEU A 50 45.713 39.001 26.091 1.00 0.00 H new ATOM 0 HA LEU A 50 43.371 37.380 25.475 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.240 40.101 24.468 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.654 39.374 24.303 1.00 0.00 H new ATOM 0 HG LEU A 50 43.957 40.239 26.884 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.138 41.976 26.852 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.197 42.113 25.428 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.596 41.352 25.276 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.771 39.836 27.943 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.166 39.150 26.417 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.486 38.341 27.295 1.00 0.00 H new ATOM 813 N GLU A 51 43.917 36.510 23.253 1.00 0.00 N ATOM 814 CA GLU A 51 44.238 35.844 22.006 1.00 0.00 C ATOM 815 C GLU A 51 43.684 36.549 20.766 1.00 0.00 C ATOM 816 O GLU A 51 42.517 36.926 20.714 1.00 0.00 O ATOM 817 CB GLU A 51 43.786 34.387 22.035 1.00 0.00 C ATOM 818 CG GLU A 51 44.839 33.436 22.597 1.00 0.00 C ATOM 819 CD GLU A 51 46.068 33.262 21.701 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.944 32.442 22.049 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.210 33.951 20.668 1.00 0.00 O ATOM 0 H GLU A 51 43.084 36.131 23.704 1.00 0.00 H new ATOM 0 HA GLU A 51 45.324 35.887 21.921 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.879 34.308 22.634 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.528 34.074 21.023 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.162 33.804 23.571 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.381 32.460 22.761 1.00 0.00 H new ATOM 828 N ASP A 52 44.522 36.650 19.737 1.00 0.00 N ATOM 829 CA ASP A 52 44.284 37.321 18.475 1.00 0.00 C ATOM 830 C ASP A 52 42.973 36.930 17.790 1.00 0.00 C ATOM 831 O ASP A 52 42.243 37.807 17.333 1.00 0.00 O ATOM 832 CB ASP A 52 45.452 37.032 17.537 1.00 0.00 C ATOM 833 CG ASP A 52 46.790 37.672 17.912 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.574 37.951 16.979 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.113 37.809 19.112 1.00 0.00 O ATOM 0 H ASP A 52 45.452 36.232 19.773 1.00 0.00 H new ATOM 0 HA ASP A 52 44.199 38.384 18.699 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.591 35.952 17.484 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.180 37.367 16.536 1.00 0.00 H new ATOM 840 N GLY A 53 42.649 35.641 17.731 1.00 0.00 N ATOM 841 CA GLY A 53 41.484 35.128 17.038 1.00 0.00 C ATOM 842 C GLY A 53 40.145 35.320 17.753 1.00 0.00 C ATOM 843 O GLY A 53 39.122 34.863 17.247 1.00 0.00 O ATOM 0 H GLY A 53 43.206 34.912 18.176 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.425 35.608 16.061 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.630 34.062 16.861 1.00 0.00 H new ATOM 847 N ARG A 54 40.124 35.942 18.929 1.00 0.00 N ATOM 848 CA ARG A 54 38.940 36.187 19.727 1.00 0.00 C ATOM 849 C ARG A 54 38.380 37.587 19.463 1.00 0.00 C ATOM 850 O ARG A 54 39.134 38.500 19.133 1.00 0.00 O ATOM 851 CB ARG A 54 39.262 36.030 21.211 1.00 0.00 C ATOM 852 CG ARG A 54 40.113 34.825 21.599 1.00 0.00 C ATOM 853 CD ARG A 54 39.462 33.463 21.380 1.00 0.00 C ATOM 854 NE ARG A 54 40.419 32.408 21.714 1.00 0.00 N ATOM 855 CZ ARG A 54 40.798 32.041 22.946 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.230 32.512 24.064 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.812 31.183 23.123 1.00 0.00 N ATOM 0 H ARG A 54 40.973 36.302 19.365 1.00 0.00 H new ATOM 0 HA ARG A 54 38.185 35.454 19.443 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.775 36.932 21.546 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.322 35.975 21.760 1.00 0.00 H new ATOM 0 HG2 ARG A 54 41.042 34.860 21.030 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.381 34.915 22.652 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.570 33.370 22.000 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.141 33.363 20.343 1.00 0.00 H new ATOM 0 HE ARG A 54 40.838 31.903 20.933 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.467 33.186 24.003 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.560 32.196 24.976 1.00 0.00 H new ATOM 0 HH21 ARG A 54 42.304 30.802 22.315 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.091 30.911 24.066 1.00 0.00 H new ATOM 871 N THR A 55 37.078 37.778 19.651 1.00 0.00 N ATOM 872 CA THR A 55 36.463 39.089 19.667 1.00 0.00 C ATOM 873 C THR A 55 36.522 39.741 21.050 1.00 0.00 C ATOM 874 O THR A 55 36.699 39.069 22.064 1.00 0.00 O ATOM 875 CB THR A 55 35.025 39.094 19.154 1.00 0.00 C ATOM 876 OG1 THR A 55 34.177 38.427 20.061 1.00 0.00 O ATOM 877 CG2 THR A 55 34.867 38.436 17.784 1.00 0.00 C ATOM 0 H THR A 55 36.418 37.014 19.798 1.00 0.00 H new ATOM 0 HA THR A 55 37.059 39.682 18.973 1.00 0.00 H new ATOM 0 HB THR A 55 34.751 40.145 19.058 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.160 37.470 19.850 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.821 38.474 17.480 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.477 38.967 17.053 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.190 37.397 17.840 1.00 0.00 H new ATOM 885 N LEU A 56 36.310 41.053 21.109 1.00 0.00 N ATOM 886 CA LEU A 56 36.136 41.768 22.356 1.00 0.00 C ATOM 887 C LEU A 56 34.959 41.232 23.175 1.00 0.00 C ATOM 888 O LEU A 56 35.057 41.141 24.397 1.00 0.00 O ATOM 889 CB LEU A 56 35.984 43.256 22.053 1.00 0.00 C ATOM 890 CG LEU A 56 37.211 43.906 21.420 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.867 45.308 20.921 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.375 44.029 22.399 1.00 0.00 C ATOM 0 H LEU A 56 36.255 41.648 20.283 1.00 0.00 H new ATOM 0 HA LEU A 56 37.019 41.613 22.975 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.133 43.392 21.386 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.750 43.780 22.980 1.00 0.00 H new ATOM 0 HG LEU A 56 37.512 43.259 20.596 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.751 45.761 20.472 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.073 45.245 20.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.531 45.920 21.758 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.223 44.498 21.899 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.072 44.640 23.249 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.663 43.037 22.749 1.00 0.00 H new ATOM 904 N SER A 57 33.883 40.808 22.520 1.00 0.00 N ATOM 905 CA SER A 57 32.759 40.147 23.150 1.00 0.00 C ATOM 906 C SER A 57 33.109 38.777 23.733 1.00 0.00 C ATOM 907 O SER A 57 32.654 38.477 24.834 1.00 0.00 O ATOM 908 CB SER A 57 31.595 39.991 22.173 1.00 0.00 C ATOM 909 OG SER A 57 31.108 41.260 21.798 1.00 0.00 O ATOM 0 H SER A 57 33.771 40.920 21.512 1.00 0.00 H new ATOM 0 HA SER A 57 32.469 40.794 23.978 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.922 39.442 21.290 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.798 39.408 22.634 1.00 0.00 H new ATOM 0 HG SER A 57 31.831 41.780 21.388 1.00 0.00 H new ATOM 915 N ASP A 58 33.940 37.975 23.072 1.00 0.00 N ATOM 916 CA ASP A 58 34.366 36.681 23.566 1.00 0.00 C ATOM 917 C ASP A 58 35.171 36.759 24.866 1.00 0.00 C ATOM 918 O ASP A 58 35.251 35.771 25.593 1.00 0.00 O ATOM 919 CB ASP A 58 35.193 35.943 22.518 1.00 0.00 C ATOM 920 CG ASP A 58 34.421 35.618 21.237 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.296 35.080 21.308 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.956 35.899 20.143 1.00 0.00 O ATOM 0 H ASP A 58 34.339 38.215 22.165 1.00 0.00 H new ATOM 0 HA ASP A 58 33.447 36.135 23.778 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.063 36.548 22.263 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.566 35.015 22.951 1.00 0.00 H new ATOM 927 N TYR A 59 35.725 37.926 25.180 1.00 0.00 N ATOM 928 CA TYR A 59 36.393 38.255 26.424 1.00 0.00 C ATOM 929 C TYR A 59 35.581 39.144 27.369 1.00 0.00 C ATOM 930 O TYR A 59 36.109 39.548 28.403 1.00 0.00 O ATOM 931 CB TYR A 59 37.763 38.848 26.113 1.00 0.00 C ATOM 932 CG TYR A 59 38.829 37.831 25.783 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.223 36.912 26.763 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.490 37.873 24.550 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.270 36.016 26.520 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.564 37.008 24.309 1.00 0.00 C ATOM 937 CZ TYR A 59 40.949 36.069 25.286 1.00 0.00 C ATOM 938 OH TYR A 59 41.985 35.218 25.033 1.00 0.00 O ATOM 0 H TYR A 59 35.716 38.712 24.530 1.00 0.00 H new ATOM 0 HA TYR A 59 36.509 37.325 26.981 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.664 39.536 25.274 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.093 39.435 26.970 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.714 36.894 27.715 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.173 38.570 23.788 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.555 35.292 27.269 1.00 0.00 H new ATOM 0 HE2 TYR A 59 41.099 37.061 23.372 1.00 0.00 H new ATOM 0 HH TYR A 59 41.847 34.380 25.522 1.00 0.00 H new ATOM 948 N ASN A 60 34.317 39.434 27.075 1.00 0.00 N ATOM 949 CA ASN A 60 33.437 40.242 27.895 1.00 0.00 C ATOM 950 C ASN A 60 33.978 41.641 28.198 1.00 0.00 C ATOM 951 O ASN A 60 33.817 42.152 29.304 1.00 0.00 O ATOM 952 CB ASN A 60 32.986 39.460 29.125 1.00 0.00 C ATOM 953 CG ASN A 60 32.403 38.088 28.778 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.338 37.973 28.175 1.00 0.00 O ATOM 955 ND2 ASN A 60 33.100 37.010 29.124 1.00 0.00 N ATOM 0 H ASN A 60 33.866 39.097 26.225 1.00 0.00 H new ATOM 0 HA ASN A 60 32.544 40.451 27.306 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.834 39.329 29.797 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.238 40.041 29.665 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.752 36.080 28.889 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.983 37.112 29.624 1.00 0.00 H new ATOM 962 N ILE A 61 34.630 42.268 27.223 1.00 0.00 N ATOM 963 CA ILE A 61 35.212 43.590 27.339 1.00 0.00 C ATOM 964 C ILE A 61 34.154 44.669 27.095 1.00 0.00 C ATOM 965 O ILE A 61 33.311 44.547 26.211 1.00 0.00 O ATOM 966 CB ILE A 61 36.441 43.713 26.443 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.534 42.749 26.896 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.995 45.135 26.430 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.656 42.544 25.883 1.00 0.00 C ATOM 0 H ILE A 61 34.769 41.851 26.303 1.00 0.00 H new ATOM 0 HA ILE A 61 35.566 43.746 28.358 1.00 0.00 H new ATOM 0 HB ILE A 61 36.125 43.459 25.431 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.965 43.119 27.826 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.080 41.783 27.117 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.869 45.179 25.780 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.232 45.819 26.059 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.280 45.424 27.442 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.388 41.845 26.287 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.242 42.142 24.958 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.141 43.499 25.679 1.00 0.00 H new ATOM 981 N GLN A 62 34.184 45.720 27.910 1.00 0.00 N ATOM 982 CA GLN A 62 33.241 46.822 27.894 1.00 0.00 C ATOM 983 C GLN A 62 33.807 48.111 27.297 1.00 0.00 C ATOM 984 O GLN A 62 35.018 48.287 27.183 1.00 0.00 O ATOM 985 CB GLN A 62 32.710 47.067 29.304 1.00 0.00 C ATOM 986 CG GLN A 62 31.987 45.848 29.868 1.00 0.00 C ATOM 987 CD GLN A 62 31.123 46.145 31.095 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.893 47.278 31.509 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.573 45.105 31.715 1.00 0.00 N ATOM 0 H GLN A 62 34.900 45.826 28.629 1.00 0.00 H new ATOM 0 HA GLN A 62 32.426 46.526 27.234 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.538 47.332 29.961 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.028 47.918 29.291 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.357 45.420 29.088 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.726 45.091 30.132 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.755 44.158 31.382 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.969 45.254 32.523 1.00 0.00 H new ATOM 998 N LYS A 63 32.924 49.048 26.964 1.00 0.00 N ATOM 999 CA LYS A 63 33.294 50.379 26.528 1.00 0.00 C ATOM 1000 C LYS A 63 34.125 51.120 27.577 1.00 0.00 C ATOM 1001 O LYS A 63 33.848 51.042 28.771 1.00 0.00 O ATOM 1002 CB LYS A 63 32.069 51.173 26.081 1.00 0.00 C ATOM 1003 CG LYS A 63 31.077 51.545 27.179 1.00 0.00 C ATOM 1004 CD LYS A 63 29.917 52.340 26.587 1.00 0.00 C ATOM 1005 CE LYS A 63 28.973 52.852 27.671 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.832 53.568 27.080 1.00 0.00 N ATOM 0 H LYS A 63 31.916 48.895 26.992 1.00 0.00 H new ATOM 0 HA LYS A 63 33.940 50.271 25.657 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.410 52.090 25.601 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.542 50.594 25.323 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.701 50.643 27.662 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.577 52.134 27.948 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.307 53.183 26.016 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.363 51.711 25.889 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.612 52.015 28.269 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.514 53.516 28.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.205 53.906 27.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.179 54.379 26.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.305 52.925 26.455 1.00 0.00 H new ATOM 1020 N GLU A 64 35.143 51.846 27.123 1.00 0.00 N ATOM 1021 CA GLU A 64 36.051 52.637 27.928 1.00 0.00 C ATOM 1022 C GLU A 64 36.918 51.852 28.917 1.00 0.00 C ATOM 1023 O GLU A 64 37.502 52.432 29.829 1.00 0.00 O ATOM 1024 CB GLU A 64 35.340 53.818 28.581 1.00 0.00 C ATOM 1025 CG GLU A 64 34.393 54.570 27.650 1.00 0.00 C ATOM 1026 CD GLU A 64 34.027 55.917 28.278 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.227 55.945 29.238 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.587 56.945 27.839 1.00 0.00 O ATOM 0 H GLU A 64 35.363 51.897 26.128 1.00 0.00 H new ATOM 0 HA GLU A 64 36.776 53.028 27.215 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.776 53.458 29.441 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.088 54.514 28.960 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.866 54.725 26.680 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.493 53.981 27.476 1.00 0.00 H new ATOM 1035 N SER A 65 37.026 50.538 28.744 1.00 0.00 N ATOM 1036 CA SER A 65 37.958 49.692 29.461 1.00 0.00 C ATOM 1037 C SER A 65 39.403 49.913 29.012 1.00 0.00 C ATOM 1038 O SER A 65 39.666 50.336 27.888 1.00 0.00 O ATOM 1039 CB SER A 65 37.572 48.221 29.337 1.00 0.00 C ATOM 1040 OG SER A 65 36.377 47.989 30.049 1.00 0.00 O ATOM 0 H SER A 65 36.448 50.023 28.080 1.00 0.00 H new ATOM 0 HA SER A 65 37.899 49.976 30.512 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.441 47.955 28.288 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.370 47.590 29.728 1.00 0.00 H new ATOM 0 HG SER A 65 35.622 47.976 29.425 1.00 0.00 H new ATOM 1046 N THR A 66 40.344 49.615 29.905 1.00 0.00 N ATOM 1047 CA THR A 66 41.771 49.767 29.700 1.00 0.00 C ATOM 1048 C THR A 66 42.458 48.401 29.770 1.00 0.00 C ATOM 1049 O THR A 66 42.258 47.654 30.726 1.00 0.00 O ATOM 1050 CB THR A 66 42.378 50.737 30.710 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.721 51.982 30.641 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.856 51.014 30.445 1.00 0.00 C ATOM 0 H THR A 66 40.117 49.246 30.828 1.00 0.00 H new ATOM 0 HA THR A 66 41.932 50.190 28.708 1.00 0.00 H new ATOM 0 HB THR A 66 42.263 50.264 31.685 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.116 52.597 31.294 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.236 51.710 31.193 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.417 50.081 30.500 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.972 51.449 29.453 1.00 0.00 H new ATOM 1060 N LEU A 67 43.271 48.086 28.766 1.00 0.00 N ATOM 1061 CA LEU A 67 44.127 46.918 28.701 1.00 0.00 C ATOM 1062 C LEU A 67 45.559 47.313 29.065 1.00 0.00 C ATOM 1063 O LEU A 67 45.944 48.467 28.891 1.00 0.00 O ATOM 1064 CB LEU A 67 44.082 46.287 27.312 1.00 0.00 C ATOM 1065 CG LEU A 67 42.755 46.257 26.559 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.955 45.606 25.194 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.666 45.475 27.287 1.00 0.00 C ATOM 0 H LEU A 67 43.351 48.673 27.935 1.00 0.00 H new ATOM 0 HA LEU A 67 43.767 46.177 29.415 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.804 46.813 26.687 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.431 45.259 27.406 1.00 0.00 H new ATOM 0 HG LEU A 67 42.431 47.294 26.473 1.00 0.00 H new ATOM 0 HD11 LEU A 67 42.006 45.586 24.658 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.683 46.179 24.621 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.319 44.587 25.327 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.749 45.493 26.698 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.989 44.443 27.424 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.481 45.929 28.260 1.00 0.00 H new ATOM 1079 N HIS A 68 46.393 46.361 29.474 1.00 0.00 N ATOM 1080 CA HIS A 68 47.816 46.575 29.648 1.00 0.00 C ATOM 1081 C HIS A 68 48.595 45.889 28.525 1.00 0.00 C ATOM 1082 O HIS A 68 48.241 44.786 28.114 1.00 0.00 O ATOM 1083 CB HIS A 68 48.260 46.130 31.039 1.00 0.00 C ATOM 1084 CG HIS A 68 47.706 47.000 32.133 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.520 46.775 32.831 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.257 48.165 32.598 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.366 47.797 33.674 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.402 48.647 33.570 1.00 0.00 N ATOM 0 H HIS A 68 46.091 45.412 29.695 1.00 0.00 H new ATOM 0 HA HIS A 68 48.034 47.641 29.580 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.943 45.100 31.204 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.349 46.141 31.089 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.180 48.618 32.269 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.529 47.923 34.344 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.534 49.500 34.114 1.00 0.00 H new ATOM 1096 N LEU A 69 49.642 46.537 28.023 1.00 0.00 N ATOM 1097 CA LEU A 69 50.511 46.050 26.970 1.00 0.00 C ATOM 1098 C LEU A 69 51.900 45.736 27.528 1.00 0.00 C ATOM 1099 O LEU A 69 52.548 46.616 28.089 1.00 0.00 O ATOM 1100 CB LEU A 69 50.552 47.096 25.861 1.00 0.00 C ATOM 1101 CG LEU A 69 51.564 46.871 24.741 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.296 45.599 23.942 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.519 48.051 23.773 1.00 0.00 C ATOM 0 H LEU A 69 49.916 47.460 28.359 1.00 0.00 H new ATOM 0 HA LEU A 69 50.128 45.118 26.554 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.559 47.157 25.415 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.758 48.065 26.315 1.00 0.00 H new ATOM 0 HG LEU A 69 52.540 46.774 25.217 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.049 45.495 23.161 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.340 44.736 24.606 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.307 45.656 23.487 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.241 47.892 22.972 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.519 48.135 23.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.765 48.969 24.307 1.00 0.00 H new ATOM 1115 N VAL A 70 52.365 44.507 27.323 1.00 0.00 N ATOM 1116 CA VAL A 70 53.728 44.073 27.554 1.00 0.00 C ATOM 1117 C VAL A 70 54.383 43.801 26.199 1.00 0.00 C ATOM 1118 O VAL A 70 53.736 43.304 25.279 1.00 0.00 O ATOM 1119 CB VAL A 70 53.779 42.882 28.507 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.207 42.439 28.813 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.084 43.182 29.832 1.00 0.00 C ATOM 0 H VAL A 70 51.769 43.756 26.975 1.00 0.00 H new ATOM 0 HA VAL A 70 54.297 44.856 28.055 1.00 0.00 H new ATOM 0 HB VAL A 70 53.256 42.079 27.987 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.186 41.589 29.495 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.704 42.149 27.887 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.752 43.262 29.275 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.144 42.308 30.480 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.573 44.027 30.316 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.038 43.426 29.647 1.00 0.00 H new