USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 25 ASN : amide:sc= -1.34! X(o=-1.3!,f=-1.4) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -79:sc= 1.44 USER MOD Set 2.2: A 9 THR OG1 : rot 30:sc= 0.533 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 140:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 144:sc= 1.02 USER MOD Single : A 1 MET CE :methyl -116:sc=-0.00129 (180deg=-0.117) USER MOD Single : A 1 MET N :NH3+ 166:sc= 1.3 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc= -0.89 K(o=-0.89,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 151:sc= 1.31 (180deg=1.08) USER MOD Single : A 14 THR OG1 : rot -52:sc= 0.0702 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 159:sc= 0.485 (180deg=-0.13!) USER MOD Single : A 31 GLN : amide:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc=-0.00906 (180deg=-0.309) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 41 GLN : amide:sc= 0.599 K(o=0.6,f=-1.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.346 K(o=0.35,f=-3.1!) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.256 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 150:sc= 0.14 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 126:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0766 X(o=-0.077,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.926 30.827 16.876 1.00 0.00 N ATOM 2 CA MET A 1 13.209 30.882 18.313 1.00 0.00 C ATOM 3 C MET A 1 14.644 31.363 18.490 1.00 0.00 C ATOM 4 O MET A 1 15.457 31.072 17.615 1.00 0.00 O ATOM 5 CB MET A 1 12.962 29.541 19.017 1.00 0.00 C ATOM 6 CG MET A 1 14.071 28.506 18.830 1.00 0.00 C ATOM 7 SD MET A 1 13.654 26.903 19.559 1.00 0.00 S ATOM 8 CE MET A 1 15.307 26.173 19.492 1.00 0.00 C ATOM 0 H1 MET A 1 12.053 30.285 16.715 1.00 0.00 H new ATOM 0 H2 MET A 1 12.807 31.793 16.508 1.00 0.00 H new ATOM 0 H3 MET A 1 13.717 30.364 16.384 1.00 0.00 H new ATOM 0 HA MET A 1 12.520 31.580 18.788 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.832 29.725 20.083 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.026 29.121 18.649 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.267 28.377 17.766 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.991 28.878 19.281 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.298 25.313 18.823 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.017 26.913 19.122 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.604 25.853 20.491 1.00 0.00 H new ATOM 20 N GLN A 2 14.946 32.019 19.611 1.00 0.00 N ATOM 21 CA GLN A 2 16.340 32.228 19.956 1.00 0.00 C ATOM 22 C GLN A 2 16.887 31.024 20.734 1.00 0.00 C ATOM 23 O GLN A 2 16.121 30.349 21.406 1.00 0.00 O ATOM 24 CB GLN A 2 16.313 33.552 20.737 1.00 0.00 C ATOM 25 CG GLN A 2 16.053 34.772 19.858 1.00 0.00 C ATOM 26 CD GLN A 2 16.027 36.094 20.619 1.00 0.00 C ATOM 27 OE1 GLN A 2 16.137 37.182 20.054 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.012 36.033 21.946 1.00 0.00 N ATOM 0 H GLN A 2 14.267 32.400 20.270 1.00 0.00 H new ATOM 0 HA GLN A 2 17.019 32.302 19.107 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.541 33.496 21.505 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.265 33.681 21.251 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.824 34.823 19.089 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.100 34.641 19.346 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.921 35.131 22.414 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.092 36.888 22.497 1.00 0.00 H new ATOM 37 N ILE A 3 18.202 30.873 20.699 1.00 0.00 N ATOM 38 CA ILE A 3 19.057 30.204 21.654 1.00 0.00 C ATOM 39 C ILE A 3 20.156 31.204 22.031 1.00 0.00 C ATOM 40 O ILE A 3 20.421 32.138 21.273 1.00 0.00 O ATOM 41 CB ILE A 3 19.586 28.885 21.092 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.486 28.899 19.857 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.425 27.914 20.878 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.015 27.521 19.422 1.00 0.00 C ATOM 0 H ILE A 3 18.745 31.255 19.924 1.00 0.00 H new ATOM 0 HA ILE A 3 18.514 29.914 22.554 1.00 0.00 H new ATOM 0 HB ILE A 3 20.279 28.567 21.871 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.932 29.337 19.027 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.336 29.552 20.053 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.806 26.975 20.477 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.927 27.727 21.829 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.714 28.347 20.175 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.643 27.635 18.538 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.602 27.085 20.230 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.176 26.866 19.189 1.00 0.00 H new ATOM 56 N PHE A 4 20.801 31.015 23.180 1.00 0.00 N ATOM 57 CA PHE A 4 21.961 31.791 23.586 1.00 0.00 C ATOM 58 C PHE A 4 23.172 30.856 23.618 1.00 0.00 C ATOM 59 O PHE A 4 23.037 29.750 24.123 1.00 0.00 O ATOM 60 CB PHE A 4 21.715 32.368 24.977 1.00 0.00 C ATOM 61 CG PHE A 4 20.524 33.284 25.120 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.489 34.508 24.448 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.409 32.910 25.884 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.274 35.202 24.432 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.182 33.570 25.729 1.00 0.00 C ATOM 66 CZ PHE A 4 18.052 34.701 24.919 1.00 0.00 C ATOM 0 H PHE A 4 20.526 30.308 23.862 1.00 0.00 H new ATOM 0 HA PHE A 4 22.140 32.609 22.889 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.595 31.539 25.675 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.606 32.916 25.283 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.367 34.904 23.959 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.497 32.105 26.599 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.274 36.198 24.014 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.314 33.194 26.250 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.098 35.151 24.687 1.00 0.00 H new ATOM 76 N VAL A 5 24.361 31.227 23.153 1.00 0.00 N ATOM 77 CA VAL A 5 25.688 30.649 23.215 1.00 0.00 C ATOM 78 C VAL A 5 26.589 31.627 23.984 1.00 0.00 C ATOM 79 O VAL A 5 26.712 32.781 23.584 1.00 0.00 O ATOM 80 CB VAL A 5 26.215 30.495 21.789 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.728 30.266 21.707 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.509 29.411 20.967 1.00 0.00 C ATOM 0 H VAL A 5 24.412 32.101 22.630 1.00 0.00 H new ATOM 0 HA VAL A 5 25.672 29.678 23.709 1.00 0.00 H new ATOM 0 HB VAL A 5 25.982 31.464 21.349 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.025 30.166 20.663 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.249 31.113 22.153 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.988 29.355 22.247 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.945 29.369 19.969 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.632 28.445 21.457 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.448 29.646 20.890 1.00 0.00 H new ATOM 92 N LYS A 6 27.073 31.180 25.138 1.00 0.00 N ATOM 93 CA LYS A 6 28.078 31.839 25.939 1.00 0.00 C ATOM 94 C LYS A 6 29.467 31.452 25.410 1.00 0.00 C ATOM 95 O LYS A 6 29.692 30.277 25.122 1.00 0.00 O ATOM 96 CB LYS A 6 27.975 31.391 27.393 1.00 0.00 C ATOM 97 CG LYS A 6 26.644 31.468 28.141 1.00 0.00 C ATOM 98 CD LYS A 6 26.194 32.862 28.590 1.00 0.00 C ATOM 99 CE LYS A 6 24.769 33.030 29.110 1.00 0.00 C ATOM 100 NZ LYS A 6 24.281 34.359 29.523 1.00 0.00 N ATOM 0 H LYS A 6 26.754 30.305 25.553 1.00 0.00 H new ATOM 0 HA LYS A 6 27.926 32.917 25.880 1.00 0.00 H new ATOM 0 HB2 LYS A 6 28.306 30.353 27.433 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.697 31.978 27.961 1.00 0.00 H new ATOM 0 HG2 LYS A 6 25.868 31.048 27.501 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.710 30.830 29.022 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.875 33.195 29.373 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.322 33.540 27.747 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.097 32.666 28.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.657 32.364 29.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.298 34.482 29.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.324 34.438 30.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.877 35.096 29.095 1.00 0.00 H new ATOM 114 N THR A 7 30.310 32.479 25.301 1.00 0.00 N ATOM 115 CA THR A 7 31.744 32.297 25.268 1.00 0.00 C ATOM 116 C THR A 7 32.241 32.164 26.712 1.00 0.00 C ATOM 117 O THR A 7 31.533 32.441 27.677 1.00 0.00 O ATOM 118 CB THR A 7 32.255 33.544 24.555 1.00 0.00 C ATOM 119 OG1 THR A 7 32.094 34.657 25.399 1.00 0.00 O ATOM 120 CG2 THR A 7 31.620 33.810 23.186 1.00 0.00 C ATOM 0 H THR A 7 30.011 33.452 25.234 1.00 0.00 H new ATOM 0 HA THR A 7 32.091 31.403 24.749 1.00 0.00 H new ATOM 0 HB THR A 7 33.309 33.364 24.342 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.159 34.950 25.380 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.046 34.717 22.757 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.818 32.967 22.523 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.543 33.935 23.302 1.00 0.00 H new ATOM 128 N LEU A 8 33.507 31.764 26.791 1.00 0.00 N ATOM 129 CA LEU A 8 34.282 31.563 27.991 1.00 0.00 C ATOM 130 C LEU A 8 34.954 32.877 28.393 1.00 0.00 C ATOM 131 O LEU A 8 35.159 33.216 29.551 1.00 0.00 O ATOM 132 CB LEU A 8 35.306 30.442 27.808 1.00 0.00 C ATOM 133 CG LEU A 8 34.679 29.078 27.506 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.660 27.916 27.375 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.602 28.743 28.541 1.00 0.00 C ATOM 0 H LEU A 8 34.049 31.560 25.951 1.00 0.00 H new ATOM 0 HA LEU A 8 33.615 31.253 28.795 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.982 30.709 26.996 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.910 30.362 28.712 1.00 0.00 H new ATOM 0 HG LEU A 8 34.240 29.191 26.515 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.111 26.999 27.161 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.358 28.119 26.563 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.212 27.799 28.307 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.167 27.770 28.311 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.049 28.715 29.535 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.823 29.505 28.515 1.00 0.00 H new ATOM 147 N THR A 9 35.120 33.816 27.465 1.00 0.00 N ATOM 148 CA THR A 9 35.410 35.230 27.574 1.00 0.00 C ATOM 149 C THR A 9 34.277 36.072 28.153 1.00 0.00 C ATOM 150 O THR A 9 34.646 37.038 28.812 1.00 0.00 O ATOM 151 CB THR A 9 35.757 35.764 26.180 1.00 0.00 C ATOM 152 OG1 THR A 9 34.903 35.416 25.115 1.00 0.00 O ATOM 153 CG2 THR A 9 37.185 35.381 25.785 1.00 0.00 C ATOM 0 H THR A 9 35.041 33.556 26.482 1.00 0.00 H new ATOM 0 HA THR A 9 36.240 35.319 28.275 1.00 0.00 H new ATOM 0 HB THR A 9 35.629 36.838 26.313 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.991 35.294 25.453 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.405 35.772 24.792 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.887 35.802 26.505 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.281 34.295 25.777 1.00 0.00 H new ATOM 161 N GLY A 10 32.975 35.820 28.022 1.00 0.00 N ATOM 162 CA GLY A 10 31.956 36.397 28.880 1.00 0.00 C ATOM 163 C GLY A 10 30.832 37.092 28.114 1.00 0.00 C ATOM 164 O GLY A 10 29.881 37.703 28.601 1.00 0.00 O ATOM 0 H GLY A 10 32.599 35.200 27.305 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.528 35.610 29.501 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.424 37.116 29.553 1.00 0.00 H new ATOM 168 N LYS A 11 30.876 36.966 26.790 1.00 0.00 N ATOM 169 CA LYS A 11 29.848 37.470 25.900 1.00 0.00 C ATOM 170 C LYS A 11 28.801 36.367 25.740 1.00 0.00 C ATOM 171 O LYS A 11 29.153 35.258 25.353 1.00 0.00 O ATOM 172 CB LYS A 11 30.536 37.791 24.575 1.00 0.00 C ATOM 173 CG LYS A 11 29.607 38.360 23.495 1.00 0.00 C ATOM 174 CD LYS A 11 30.429 39.098 22.447 1.00 0.00 C ATOM 175 CE LYS A 11 29.572 40.002 21.557 1.00 0.00 C ATOM 176 NZ LYS A 11 30.342 40.695 20.510 1.00 0.00 N ATOM 0 H LYS A 11 31.643 36.502 26.303 1.00 0.00 H new ATOM 0 HA LYS A 11 29.353 38.366 26.274 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.337 38.507 24.761 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.002 36.883 24.193 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.042 37.554 23.027 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.882 39.038 23.946 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.190 39.700 22.945 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.953 38.373 21.825 1.00 0.00 H new ATOM 0 HE2 LYS A 11 28.792 39.402 21.087 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.072 40.743 22.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.730 40.871 19.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.694 41.601 20.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.147 40.103 20.221 1.00 0.00 H new ATOM 190 N THR A 12 27.530 36.715 25.919 1.00 0.00 N ATOM 191 CA THR A 12 26.489 35.859 25.389 1.00 0.00 C ATOM 192 C THR A 12 26.193 36.312 23.955 1.00 0.00 C ATOM 193 O THR A 12 25.941 37.474 23.617 1.00 0.00 O ATOM 194 CB THR A 12 25.251 36.077 26.260 1.00 0.00 C ATOM 195 OG1 THR A 12 25.456 35.991 27.657 1.00 0.00 O ATOM 196 CG2 THR A 12 24.054 35.177 25.946 1.00 0.00 C ATOM 0 H THR A 12 27.210 37.551 26.408 1.00 0.00 H new ATOM 0 HA THR A 12 26.779 34.808 25.389 1.00 0.00 H new ATOM 0 HB THR A 12 25.027 37.107 25.983 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.886 36.645 28.112 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.232 35.415 26.622 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.736 35.340 24.916 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.340 34.133 26.076 1.00 0.00 H new ATOM 204 N ILE A 13 26.192 35.432 22.962 1.00 0.00 N ATOM 205 CA ILE A 13 25.829 35.595 21.565 1.00 0.00 C ATOM 206 C ILE A 13 24.393 35.055 21.516 1.00 0.00 C ATOM 207 O ILE A 13 24.237 33.942 22.009 1.00 0.00 O ATOM 208 CB ILE A 13 26.829 34.885 20.649 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.195 35.564 20.546 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.187 34.743 19.264 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.331 36.752 19.589 1.00 0.00 C ATOM 0 H ILE A 13 26.482 34.471 23.143 1.00 0.00 H new ATOM 0 HA ILE A 13 25.865 36.621 21.199 1.00 0.00 H new ATOM 0 HB ILE A 13 27.042 33.913 21.093 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.477 35.903 21.543 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.923 34.809 20.249 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.881 34.239 18.591 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.271 34.158 19.346 1.00 0.00 H new ATOM 0 HG23 ILE A 13 25.952 35.731 18.869 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.353 37.130 19.622 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.095 36.431 18.574 1.00 0.00 H new ATOM 0 HD13 ILE A 13 27.642 37.542 19.889 1.00 0.00 H new ATOM 223 N THR A 14 23.512 35.776 20.836 1.00 0.00 N ATOM 224 CA THR A 14 22.130 35.385 20.613 1.00 0.00 C ATOM 225 C THR A 14 22.130 34.817 19.192 1.00 0.00 C ATOM 226 O THR A 14 22.777 35.443 18.365 1.00 0.00 O ATOM 227 CB THR A 14 21.265 36.641 20.712 1.00 0.00 C ATOM 228 OG1 THR A 14 21.228 37.082 22.053 1.00 0.00 O ATOM 229 CG2 THR A 14 19.796 36.517 20.312 1.00 0.00 C ATOM 0 H THR A 14 23.747 36.674 20.413 1.00 0.00 H new ATOM 0 HA THR A 14 21.742 34.660 21.329 1.00 0.00 H new ATOM 0 HB THR A 14 21.746 37.314 20.002 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.973 36.336 22.636 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.304 37.482 20.431 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.728 36.201 19.271 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.307 35.779 20.948 1.00 0.00 H new ATOM 237 N LEU A 15 21.431 33.707 18.948 1.00 0.00 N ATOM 238 CA LEU A 15 21.277 33.045 17.667 1.00 0.00 C ATOM 239 C LEU A 15 19.798 32.736 17.398 1.00 0.00 C ATOM 240 O LEU A 15 19.066 32.286 18.279 1.00 0.00 O ATOM 241 CB LEU A 15 22.022 31.714 17.576 1.00 0.00 C ATOM 242 CG LEU A 15 23.553 31.729 17.660 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.106 30.336 17.935 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.310 32.481 16.556 1.00 0.00 C ATOM 0 H LEU A 15 20.929 33.222 19.692 1.00 0.00 H new ATOM 0 HA LEU A 15 21.694 33.739 16.937 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.652 31.071 18.374 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.746 31.242 16.633 1.00 0.00 H new ATOM 0 HG LEU A 15 23.760 32.361 18.524 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.194 30.380 17.989 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.711 29.968 18.882 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.810 29.662 17.131 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.382 32.411 16.738 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.077 32.038 15.588 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.009 33.529 16.557 1.00 0.00 H new ATOM 256 N GLU A 16 19.257 32.833 16.196 1.00 0.00 N ATOM 257 CA GLU A 16 17.882 32.768 15.746 1.00 0.00 C ATOM 258 C GLU A 16 17.723 31.685 14.672 1.00 0.00 C ATOM 259 O GLU A 16 18.127 31.697 13.511 1.00 0.00 O ATOM 260 CB GLU A 16 17.385 34.103 15.169 1.00 0.00 C ATOM 261 CG GLU A 16 15.867 34.212 15.123 1.00 0.00 C ATOM 262 CD GLU A 16 15.366 35.409 14.309 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.174 35.986 13.550 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.198 35.836 14.436 1.00 0.00 O ATOM 0 H GLU A 16 19.870 32.982 15.395 1.00 0.00 H new ATOM 0 HA GLU A 16 17.282 32.530 16.624 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.783 34.921 15.770 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.782 34.225 14.161 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.457 33.296 14.697 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.485 34.289 16.141 1.00 0.00 H new ATOM 271 N VAL A 17 17.014 30.664 15.144 1.00 0.00 N ATOM 272 CA VAL A 17 16.897 29.315 14.627 1.00 0.00 C ATOM 273 C VAL A 17 15.485 28.735 14.685 1.00 0.00 C ATOM 274 O VAL A 17 14.774 29.244 15.544 1.00 0.00 O ATOM 275 CB VAL A 17 17.865 28.387 15.367 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.315 28.422 14.898 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.785 28.635 16.877 1.00 0.00 C ATOM 0 H VAL A 17 16.450 30.779 15.986 1.00 0.00 H new ATOM 0 HA VAL A 17 17.152 29.381 13.569 1.00 0.00 H new ATOM 0 HB VAL A 17 17.525 27.381 15.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 19.907 27.726 15.493 1.00 0.00 H new ATOM 0 HG12 VAL A 17 19.365 28.135 13.848 1.00 0.00 H new ATOM 0 HG13 VAL A 17 19.712 29.430 15.018 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.478 27.969 17.392 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.050 29.670 17.090 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.770 28.442 17.224 1.00 0.00 H new ATOM 287 N GLU A 18 15.181 27.720 13.876 1.00 0.00 N ATOM 288 CA GLU A 18 14.084 26.790 14.036 1.00 0.00 C ATOM 289 C GLU A 18 14.650 25.547 14.729 1.00 0.00 C ATOM 290 O GLU A 18 15.854 25.293 14.656 1.00 0.00 O ATOM 291 CB GLU A 18 13.486 26.552 12.655 1.00 0.00 C ATOM 292 CG GLU A 18 12.570 27.719 12.266 1.00 0.00 C ATOM 293 CD GLU A 18 11.194 27.646 12.917 1.00 0.00 C ATOM 294 OE1 GLU A 18 10.685 26.557 13.230 1.00 0.00 O ATOM 295 OE2 GLU A 18 10.693 28.730 13.285 1.00 0.00 O ATOM 0 H GLU A 18 15.734 27.521 13.042 1.00 0.00 H new ATOM 0 HA GLU A 18 13.268 27.151 14.662 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.283 26.445 11.919 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.921 25.620 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.048 28.657 12.547 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.452 27.734 11.183 1.00 0.00 H new ATOM 302 N PRO A 19 13.910 24.735 15.478 1.00 0.00 N ATOM 303 CA PRO A 19 14.517 23.692 16.274 1.00 0.00 C ATOM 304 C PRO A 19 15.004 22.418 15.572 1.00 0.00 C ATOM 305 O PRO A 19 15.639 21.585 16.206 1.00 0.00 O ATOM 306 CB PRO A 19 13.413 23.341 17.268 1.00 0.00 C ATOM 307 CG PRO A 19 12.081 23.790 16.654 1.00 0.00 C ATOM 308 CD PRO A 19 12.483 24.898 15.676 1.00 0.00 C ATOM 0 HA PRO A 19 15.453 24.076 16.679 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.402 22.269 17.466 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.583 23.840 18.222 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.579 22.968 16.143 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.394 24.159 17.416 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.942 24.806 14.734 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.252 25.883 16.081 1.00 0.00 H new ATOM 316 N SER A 20 14.705 22.308 14.281 1.00 0.00 N ATOM 317 CA SER A 20 15.159 21.254 13.401 1.00 0.00 C ATOM 318 C SER A 20 16.419 21.751 12.696 1.00 0.00 C ATOM 319 O SER A 20 17.038 21.029 11.913 1.00 0.00 O ATOM 320 CB SER A 20 14.003 20.831 12.483 1.00 0.00 C ATOM 321 OG SER A 20 12.777 20.692 13.162 1.00 0.00 O ATOM 0 H SER A 20 14.111 22.987 13.805 1.00 0.00 H new ATOM 0 HA SER A 20 15.442 20.343 13.929 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.889 21.569 11.689 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.255 19.885 12.005 1.00 0.00 H new ATOM 0 HG SER A 20 12.080 20.424 12.527 1.00 0.00 H new ATOM 327 N ASP A 21 16.992 22.903 13.037 1.00 0.00 N ATOM 328 CA ASP A 21 18.276 23.362 12.538 1.00 0.00 C ATOM 329 C ASP A 21 19.407 22.690 13.323 1.00 0.00 C ATOM 330 O ASP A 21 19.324 22.413 14.517 1.00 0.00 O ATOM 331 CB ASP A 21 18.389 24.876 12.644 1.00 0.00 C ATOM 332 CG ASP A 21 19.397 25.554 11.707 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.275 24.857 11.164 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.137 26.709 11.299 1.00 0.00 O ATOM 0 H ASP A 21 16.559 23.559 13.688 1.00 0.00 H new ATOM 0 HA ASP A 21 18.358 23.089 11.486 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.405 25.306 12.455 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.655 25.127 13.671 1.00 0.00 H new ATOM 339 N THR A 22 20.464 22.243 12.645 1.00 0.00 N ATOM 340 CA THR A 22 21.306 21.195 13.166 1.00 0.00 C ATOM 341 C THR A 22 22.436 21.876 13.933 1.00 0.00 C ATOM 342 O THR A 22 22.844 22.974 13.551 1.00 0.00 O ATOM 343 CB THR A 22 21.854 20.347 12.009 1.00 0.00 C ATOM 344 OG1 THR A 22 22.660 20.892 11.001 1.00 0.00 O ATOM 345 CG2 THR A 22 20.750 19.576 11.283 1.00 0.00 C ATOM 0 H THR A 22 20.748 22.599 11.732 1.00 0.00 H new ATOM 0 HA THR A 22 20.753 20.526 13.826 1.00 0.00 H new ATOM 0 HB THR A 22 22.540 19.751 12.610 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.905 20.190 10.362 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.187 18.991 10.473 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.251 18.908 11.985 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.025 20.279 10.873 1.00 0.00 H new ATOM 353 N ILE A 23 22.988 21.270 14.979 1.00 0.00 N ATOM 354 CA ILE A 23 24.187 21.655 15.694 1.00 0.00 C ATOM 355 C ILE A 23 25.381 21.995 14.798 1.00 0.00 C ATOM 356 O ILE A 23 26.109 22.949 15.072 1.00 0.00 O ATOM 357 CB ILE A 23 24.442 20.629 16.794 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.604 21.062 17.994 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.874 20.444 17.285 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.148 20.594 17.996 1.00 0.00 C ATOM 0 H ILE A 23 22.570 20.429 15.376 1.00 0.00 H new ATOM 0 HA ILE A 23 24.027 22.619 16.176 1.00 0.00 H new ATOM 0 HB ILE A 23 24.186 19.668 16.348 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.085 20.694 18.900 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.616 22.151 18.047 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.896 19.683 18.065 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.506 20.130 16.454 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.245 21.387 17.687 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.650 20.959 18.894 1.00 0.00 H new ATOM 0 HD12 ILE A 23 21.639 20.984 17.114 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.116 19.505 17.981 1.00 0.00 H new ATOM 372 N GLU A 24 25.511 21.358 13.637 1.00 0.00 N ATOM 373 CA GLU A 24 26.587 21.588 12.694 1.00 0.00 C ATOM 374 C GLU A 24 26.470 22.970 12.040 1.00 0.00 C ATOM 375 O GLU A 24 27.462 23.604 11.692 1.00 0.00 O ATOM 376 CB GLU A 24 26.500 20.469 11.670 1.00 0.00 C ATOM 377 CG GLU A 24 27.842 20.044 11.082 1.00 0.00 C ATOM 378 CD GLU A 24 27.697 18.962 10.019 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.513 18.661 9.710 1.00 0.00 O ATOM 380 OE2 GLU A 24 28.699 18.294 9.714 1.00 0.00 O ATOM 0 H GLU A 24 24.849 20.649 13.323 1.00 0.00 H new ATOM 0 HA GLU A 24 27.557 21.581 13.192 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.031 19.602 12.136 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.846 20.787 10.858 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.336 20.913 10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.486 19.679 11.882 1.00 0.00 H new ATOM 387 N ASN A 25 25.261 23.517 11.909 1.00 0.00 N ATOM 388 CA ASN A 25 25.008 24.878 11.499 1.00 0.00 C ATOM 389 C ASN A 25 25.144 25.910 12.617 1.00 0.00 C ATOM 390 O ASN A 25 25.571 27.035 12.384 1.00 0.00 O ATOM 391 CB ASN A 25 23.552 24.983 11.044 1.00 0.00 C ATOM 392 CG ASN A 25 23.244 26.279 10.304 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.132 26.889 9.719 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.974 26.684 10.346 1.00 0.00 N ATOM 0 H ASN A 25 24.405 22.995 12.095 1.00 0.00 H new ATOM 0 HA ASN A 25 25.747 25.091 10.727 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.319 24.138 10.396 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.900 24.906 11.914 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.697 27.545 9.874 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.279 26.133 10.850 1.00 0.00 H new ATOM 401 N VAL A 26 24.796 25.560 13.859 1.00 0.00 N ATOM 402 CA VAL A 26 25.059 26.353 15.043 1.00 0.00 C ATOM 403 C VAL A 26 26.572 26.558 15.165 1.00 0.00 C ATOM 404 O VAL A 26 26.951 27.689 15.423 1.00 0.00 O ATOM 405 CB VAL A 26 24.290 25.879 16.278 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.491 26.806 17.473 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.807 25.575 16.058 1.00 0.00 C ATOM 0 H VAL A 26 24.309 24.688 14.064 1.00 0.00 H new ATOM 0 HA VAL A 26 24.639 27.354 14.947 1.00 0.00 H new ATOM 0 HB VAL A 26 24.741 24.913 16.504 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.926 26.429 18.325 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.550 26.846 17.729 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.141 27.807 17.220 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.360 25.248 16.996 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.299 26.474 15.708 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.704 24.787 15.312 1.00 0.00 H new ATOM 417 N LYS A 27 27.381 25.519 14.977 1.00 0.00 N ATOM 418 CA LYS A 27 28.810 25.757 14.938 1.00 0.00 C ATOM 419 C LYS A 27 29.336 26.860 14.009 1.00 0.00 C ATOM 420 O LYS A 27 30.307 27.532 14.362 1.00 0.00 O ATOM 421 CB LYS A 27 29.450 24.406 14.640 1.00 0.00 C ATOM 422 CG LYS A 27 29.728 23.587 15.900 1.00 0.00 C ATOM 423 CD LYS A 27 30.199 22.199 15.462 1.00 0.00 C ATOM 424 CE LYS A 27 30.889 21.355 16.525 1.00 0.00 C ATOM 425 NZ LYS A 27 31.280 20.014 16.066 1.00 0.00 N ATOM 0 H LYS A 27 27.086 24.550 14.855 1.00 0.00 H new ATOM 0 HA LYS A 27 29.090 26.172 15.906 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.795 23.837 13.981 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.385 24.564 14.102 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.488 24.073 16.511 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.829 23.510 16.511 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.336 21.645 15.093 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.884 22.319 14.623 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.778 21.882 16.872 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.223 21.254 17.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.029 19.641 16.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.456 19.381 16.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.632 20.070 15.089 1.00 0.00 H new ATOM 439 N ALA A 28 28.746 26.984 12.822 1.00 0.00 N ATOM 440 CA ALA A 28 29.298 27.808 11.774 1.00 0.00 C ATOM 441 C ALA A 28 28.899 29.275 11.926 1.00 0.00 C ATOM 442 O ALA A 28 29.649 30.174 11.542 1.00 0.00 O ATOM 443 CB ALA A 28 28.764 27.190 10.480 1.00 0.00 C ATOM 0 H ALA A 28 27.876 26.514 12.570 1.00 0.00 H new ATOM 0 HA ALA A 28 30.388 27.824 11.796 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.136 27.756 9.626 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.101 26.156 10.404 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.674 27.217 10.487 1.00 0.00 H new ATOM 449 N LYS A 29 27.806 29.596 12.596 1.00 0.00 N ATOM 450 CA LYS A 29 27.388 30.949 12.880 1.00 0.00 C ATOM 451 C LYS A 29 28.262 31.597 13.955 1.00 0.00 C ATOM 452 O LYS A 29 28.504 32.804 13.881 1.00 0.00 O ATOM 453 CB LYS A 29 25.994 30.774 13.490 1.00 0.00 C ATOM 454 CG LYS A 29 24.881 30.530 12.474 1.00 0.00 C ATOM 455 CD LYS A 29 23.549 30.191 13.137 1.00 0.00 C ATOM 456 CE LYS A 29 22.650 29.271 12.302 1.00 0.00 C ATOM 457 NZ LYS A 29 22.035 30.011 11.186 1.00 0.00 N ATOM 0 H LYS A 29 27.166 28.894 12.968 1.00 0.00 H new ATOM 0 HA LYS A 29 27.437 31.570 11.985 1.00 0.00 H new ATOM 0 HB2 LYS A 29 26.020 29.938 14.188 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.751 31.665 14.069 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.759 31.418 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.171 29.715 11.811 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.744 29.715 14.098 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.012 31.117 13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.236 28.438 11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.871 28.845 12.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.431 29.369 10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.459 30.791 11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 22.781 30.397 10.572 1.00 0.00 H new ATOM 471 N ILE A 30 28.819 30.814 14.879 1.00 0.00 N ATOM 472 CA ILE A 30 29.700 31.162 15.967 1.00 0.00 C ATOM 473 C ILE A 30 31.039 31.538 15.321 1.00 0.00 C ATOM 474 O ILE A 30 31.624 32.597 15.531 1.00 0.00 O ATOM 475 CB ILE A 30 29.884 29.970 16.918 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.576 29.573 17.589 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.930 30.309 17.969 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.665 28.144 18.116 1.00 0.00 C ATOM 0 H ILE A 30 28.636 29.811 14.872 1.00 0.00 H new ATOM 0 HA ILE A 30 29.294 31.983 16.558 1.00 0.00 H new ATOM 0 HB ILE A 30 30.220 29.118 16.327 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.357 30.257 18.409 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.754 29.655 16.877 1.00 0.00 H new ATOM 0 HG21 ILE A 30 31.058 29.461 18.642 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.879 30.530 17.480 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.604 31.179 18.539 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.723 27.873 18.593 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.862 27.463 17.288 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.474 28.074 18.843 1.00 0.00 H new ATOM 490 N GLN A 31 31.643 30.724 14.467 1.00 0.00 N ATOM 491 CA GLN A 31 32.692 31.048 13.512 1.00 0.00 C ATOM 492 C GLN A 31 32.696 32.425 12.837 1.00 0.00 C ATOM 493 O GLN A 31 33.697 33.129 12.694 1.00 0.00 O ATOM 494 CB GLN A 31 32.842 29.779 12.673 1.00 0.00 C ATOM 495 CG GLN A 31 33.468 29.957 11.289 1.00 0.00 C ATOM 496 CD GLN A 31 34.959 30.260 11.237 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.501 30.527 10.169 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.656 30.179 12.368 1.00 0.00 N ATOM 0 H GLN A 31 31.390 29.737 14.421 1.00 0.00 H new ATOM 0 HA GLN A 31 33.630 31.282 14.015 1.00 0.00 H new ATOM 0 HB2 GLN A 31 33.447 29.066 13.234 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.856 29.332 12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.287 29.047 10.716 1.00 0.00 H new ATOM 0 HG3 GLN A 31 32.941 30.764 10.780 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.183 29.956 13.244 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.663 30.340 12.359 1.00 0.00 H new ATOM 507 N ASP A 32 31.537 32.875 12.367 1.00 0.00 N ATOM 508 CA ASP A 32 31.199 34.099 11.663 1.00 0.00 C ATOM 509 C ASP A 32 31.217 35.282 12.634 1.00 0.00 C ATOM 510 O ASP A 32 31.742 36.336 12.266 1.00 0.00 O ATOM 511 CB ASP A 32 29.863 33.890 10.959 1.00 0.00 C ATOM 512 CG ASP A 32 29.140 35.122 10.447 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.944 35.940 9.944 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.890 35.150 10.450 1.00 0.00 O ATOM 0 H ASP A 32 30.700 32.306 12.491 1.00 0.00 H new ATOM 0 HA ASP A 32 31.935 34.341 10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.029 33.222 10.114 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.197 33.372 11.649 1.00 0.00 H new ATOM 519 N LYS A 33 30.622 35.095 13.810 1.00 0.00 N ATOM 520 CA LYS A 33 30.444 36.047 14.883 1.00 0.00 C ATOM 521 C LYS A 33 31.637 36.441 15.757 1.00 0.00 C ATOM 522 O LYS A 33 31.842 37.620 16.007 1.00 0.00 O ATOM 523 CB LYS A 33 29.231 35.729 15.764 1.00 0.00 C ATOM 524 CG LYS A 33 27.959 36.042 14.988 1.00 0.00 C ATOM 525 CD LYS A 33 26.681 35.937 15.811 1.00 0.00 C ATOM 526 CE LYS A 33 25.425 36.062 14.946 1.00 0.00 C ATOM 527 NZ LYS A 33 25.416 37.443 14.431 1.00 0.00 N ATOM 0 H LYS A 33 30.219 34.189 14.049 1.00 0.00 H new ATOM 0 HA LYS A 33 30.280 36.945 14.287 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.244 34.679 16.058 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.267 36.317 16.681 1.00 0.00 H new ATOM 0 HG2 LYS A 33 28.034 37.051 14.582 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.888 35.361 14.140 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.666 34.981 16.335 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.675 36.718 16.572 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.442 35.342 14.128 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.528 35.859 15.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.474 37.666 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.644 38.103 15.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.124 37.536 13.675 1.00 0.00 H new ATOM 541 N GLU A 34 32.409 35.459 16.236 1.00 0.00 N ATOM 542 CA GLU A 34 33.527 35.711 17.120 1.00 0.00 C ATOM 543 C GLU A 34 34.789 34.924 16.756 1.00 0.00 C ATOM 544 O GLU A 34 35.717 34.919 17.563 1.00 0.00 O ATOM 545 CB GLU A 34 32.986 35.451 18.530 1.00 0.00 C ATOM 546 CG GLU A 34 32.122 36.548 19.162 1.00 0.00 C ATOM 547 CD GLU A 34 32.636 37.978 19.246 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.851 38.178 19.436 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.777 38.887 19.243 1.00 0.00 O ATOM 0 H GLU A 34 32.268 34.473 16.016 1.00 0.00 H new ATOM 0 HA GLU A 34 33.887 36.736 17.034 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.399 34.533 18.503 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.835 35.268 19.189 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.182 36.575 18.612 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.888 36.229 20.178 1.00 0.00 H new ATOM 556 N GLY A 35 34.842 34.300 15.588 1.00 0.00 N ATOM 557 CA GLY A 35 36.127 33.972 14.995 1.00 0.00 C ATOM 558 C GLY A 35 36.743 32.648 15.428 1.00 0.00 C ATOM 559 O GLY A 35 37.801 32.250 14.946 1.00 0.00 O ATOM 0 H GLY A 35 34.028 34.016 15.043 1.00 0.00 H new ATOM 0 HA2 GLY A 35 36.012 33.959 13.911 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.829 34.771 15.232 1.00 0.00 H new ATOM 563 N ILE A 36 36.158 31.985 16.425 1.00 0.00 N ATOM 564 CA ILE A 36 36.349 30.685 17.036 1.00 0.00 C ATOM 565 C ILE A 36 36.166 29.630 15.937 1.00 0.00 C ATOM 566 O ILE A 36 35.178 29.598 15.210 1.00 0.00 O ATOM 567 CB ILE A 36 35.377 30.506 18.213 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.400 31.638 19.241 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.502 29.131 18.867 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.498 31.488 20.470 1.00 0.00 C ATOM 0 H ILE A 36 35.390 32.453 16.907 1.00 0.00 H new ATOM 0 HA ILE A 36 37.349 30.580 17.457 1.00 0.00 H new ATOM 0 HB ILE A 36 34.388 30.565 17.759 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.426 31.758 19.588 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.126 32.562 18.732 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.794 29.055 19.693 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.285 28.357 18.131 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.516 28.999 19.245 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.613 32.360 21.114 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.459 31.407 20.151 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.780 30.590 21.021 1.00 0.00 H new ATOM 582 N PRO A 37 37.101 28.692 15.858 1.00 0.00 N ATOM 583 CA PRO A 37 37.042 27.664 14.836 1.00 0.00 C ATOM 584 C PRO A 37 36.078 26.538 15.199 1.00 0.00 C ATOM 585 O PRO A 37 35.869 26.284 16.382 1.00 0.00 O ATOM 586 CB PRO A 37 38.480 27.167 14.656 1.00 0.00 C ATOM 587 CG PRO A 37 39.242 27.626 15.894 1.00 0.00 C ATOM 588 CD PRO A 37 38.384 28.717 16.537 1.00 0.00 C ATOM 0 HA PRO A 37 36.648 28.065 13.902 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.508 26.082 14.561 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.924 27.578 13.750 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.401 26.797 16.584 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.226 28.011 15.626 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.261 28.534 17.604 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.858 29.693 16.434 1.00 0.00 H new ATOM 596 N PRO A 38 35.428 25.832 14.289 1.00 0.00 N ATOM 597 CA PRO A 38 34.440 24.809 14.599 1.00 0.00 C ATOM 598 C PRO A 38 34.961 23.492 15.156 1.00 0.00 C ATOM 599 O PRO A 38 34.214 22.859 15.905 1.00 0.00 O ATOM 600 CB PRO A 38 33.774 24.650 13.235 1.00 0.00 C ATOM 601 CG PRO A 38 34.868 24.919 12.198 1.00 0.00 C ATOM 602 CD PRO A 38 35.713 25.992 12.881 1.00 0.00 C ATOM 0 HA PRO A 38 33.790 25.105 15.422 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.362 23.648 13.116 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.947 25.351 13.120 1.00 0.00 H new ATOM 0 HG2 PRO A 38 35.449 24.023 11.979 1.00 0.00 H new ATOM 0 HG3 PRO A 38 34.454 25.269 11.253 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.774 25.855 12.672 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.446 26.990 12.532 1.00 0.00 H new ATOM 610 N ASP A 39 36.166 23.078 14.778 1.00 0.00 N ATOM 611 CA ASP A 39 36.625 21.719 15.022 1.00 0.00 C ATOM 612 C ASP A 39 36.996 21.440 16.472 1.00 0.00 C ATOM 613 O ASP A 39 37.210 20.293 16.856 1.00 0.00 O ATOM 614 CB ASP A 39 37.813 21.527 14.083 1.00 0.00 C ATOM 615 CG ASP A 39 38.263 20.120 13.716 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.439 19.274 13.313 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.501 19.920 13.711 1.00 0.00 O ATOM 0 H ASP A 39 36.845 23.670 14.299 1.00 0.00 H new ATOM 0 HA ASP A 39 35.821 21.008 14.829 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.581 22.048 13.154 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.667 22.036 14.530 1.00 0.00 H new ATOM 622 N GLN A 40 36.929 22.474 17.313 1.00 0.00 N ATOM 623 CA GLN A 40 37.390 22.364 18.681 1.00 0.00 C ATOM 624 C GLN A 40 36.137 22.154 19.537 1.00 0.00 C ATOM 625 O GLN A 40 36.287 21.665 20.651 1.00 0.00 O ATOM 626 CB GLN A 40 38.002 23.688 19.127 1.00 0.00 C ATOM 627 CG GLN A 40 39.419 23.729 18.544 1.00 0.00 C ATOM 628 CD GLN A 40 40.472 24.560 19.258 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.366 24.939 20.429 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.484 25.085 18.571 1.00 0.00 N ATOM 0 H GLN A 40 36.559 23.391 17.063 1.00 0.00 H new ATOM 0 HA GLN A 40 38.121 21.561 18.774 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.410 24.530 18.768 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.027 23.757 20.215 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.786 22.704 18.491 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.346 24.095 17.520 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.633 24.818 17.598 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.111 25.754 19.018 1.00 0.00 H new ATOM 639 N GLN A 41 35.003 22.714 19.118 1.00 0.00 N ATOM 640 CA GLN A 41 33.852 22.998 19.938 1.00 0.00 C ATOM 641 C GLN A 41 33.038 21.742 20.267 1.00 0.00 C ATOM 642 O GLN A 41 32.438 21.163 19.377 1.00 0.00 O ATOM 643 CB GLN A 41 32.876 23.937 19.227 1.00 0.00 C ATOM 644 CG GLN A 41 33.559 25.268 18.911 1.00 0.00 C ATOM 645 CD GLN A 41 32.678 26.312 18.256 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.577 26.531 18.764 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.168 27.071 17.282 1.00 0.00 N ATOM 0 H GLN A 41 34.867 22.992 18.146 1.00 0.00 H new ATOM 0 HA GLN A 41 34.262 23.444 20.844 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.521 23.475 18.306 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.002 24.109 19.855 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.956 25.682 19.838 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.410 25.074 18.258 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.083 26.862 16.884 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.629 27.863 16.933 1.00 0.00 H new ATOM 656 N ARG A 42 32.890 21.343 21.530 1.00 0.00 N ATOM 657 CA ARG A 42 31.890 20.495 22.142 1.00 0.00 C ATOM 658 C ARG A 42 30.922 21.438 22.864 1.00 0.00 C ATOM 659 O ARG A 42 31.432 22.137 23.744 1.00 0.00 O ATOM 660 CB ARG A 42 32.483 19.470 23.106 1.00 0.00 C ATOM 661 CG ARG A 42 31.481 18.816 24.071 1.00 0.00 C ATOM 662 CD ARG A 42 32.144 17.723 24.916 1.00 0.00 C ATOM 663 NE ARG A 42 32.118 16.507 24.099 1.00 0.00 N ATOM 664 CZ ARG A 42 32.728 15.324 24.305 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.440 15.118 25.410 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.584 14.382 23.358 1.00 0.00 N ATOM 0 H ARG A 42 33.562 21.653 22.232 1.00 0.00 H new ATOM 0 HA ARG A 42 31.388 19.900 21.379 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.966 18.685 22.523 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.262 19.956 23.693 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.057 19.576 24.727 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.655 18.387 23.504 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.167 17.997 25.175 1.00 0.00 H new ATOM 0 HD3 ARG A 42 31.607 17.575 25.853 1.00 0.00 H new ATOM 0 HE ARG A 42 31.556 16.565 23.250 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.526 15.858 26.107 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.900 14.220 25.560 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.030 14.578 22.524 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.029 13.471 23.473 1.00 0.00 H new ATOM 680 N LEU A 43 29.663 21.576 22.471 1.00 0.00 N ATOM 681 CA LEU A 43 28.621 22.224 23.240 1.00 0.00 C ATOM 682 C LEU A 43 28.020 21.162 24.158 1.00 0.00 C ATOM 683 O LEU A 43 27.905 19.969 23.846 1.00 0.00 O ATOM 684 CB LEU A 43 27.518 22.737 22.313 1.00 0.00 C ATOM 685 CG LEU A 43 27.953 23.884 21.403 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.045 23.531 19.916 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.987 25.073 21.463 1.00 0.00 C ATOM 0 H LEU A 43 29.332 21.225 21.573 1.00 0.00 H new ATOM 0 HA LEU A 43 29.033 23.065 23.798 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.164 21.912 21.695 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.674 23.067 22.918 1.00 0.00 H new ATOM 0 HG LEU A 43 28.943 24.122 21.792 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.361 24.409 19.353 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.771 22.730 19.776 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.069 23.203 19.559 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.340 25.862 20.799 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.994 24.751 21.149 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.939 25.452 22.484 1.00 0.00 H new ATOM 699 N ILE A 44 27.540 21.639 25.300 1.00 0.00 N ATOM 700 CA ILE A 44 26.859 20.810 26.268 1.00 0.00 C ATOM 701 C ILE A 44 25.492 21.398 26.625 1.00 0.00 C ATOM 702 O ILE A 44 25.359 22.602 26.856 1.00 0.00 O ATOM 703 CB ILE A 44 27.836 20.463 27.398 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.867 19.363 27.143 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.172 20.083 28.721 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.109 19.532 28.005 1.00 0.00 C ATOM 0 H ILE A 44 27.616 22.618 25.576 1.00 0.00 H new ATOM 0 HA ILE A 44 26.573 19.837 25.869 1.00 0.00 H new ATOM 0 HB ILE A 44 28.350 21.423 27.447 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.417 18.391 27.344 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.152 19.371 26.091 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.939 19.854 29.461 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.564 20.915 29.075 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.539 19.208 28.572 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.813 18.728 27.790 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.576 20.492 27.786 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.829 19.497 29.058 1.00 0.00 H new ATOM 718 N PHE A 45 24.467 20.568 26.769 1.00 0.00 N ATOM 719 CA PHE A 45 23.107 20.886 27.146 1.00 0.00 C ATOM 720 C PHE A 45 22.581 19.815 28.101 1.00 0.00 C ATOM 721 O PHE A 45 22.494 18.649 27.728 1.00 0.00 O ATOM 722 CB PHE A 45 22.153 20.990 25.963 1.00 0.00 C ATOM 723 CG PHE A 45 20.822 21.583 26.393 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.711 22.974 26.525 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.709 20.782 26.689 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.469 23.552 26.812 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.477 21.366 27.037 1.00 0.00 C ATOM 728 CZ PHE A 45 18.335 22.759 27.025 1.00 0.00 C ATOM 0 H PHE A 45 24.583 19.567 26.609 1.00 0.00 H new ATOM 0 HA PHE A 45 23.142 21.867 27.620 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.598 21.610 25.185 1.00 0.00 H new ATOM 0 HB3 PHE A 45 21.993 20.002 25.531 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.583 23.599 26.405 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.799 19.706 26.649 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.384 24.627 26.870 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.641 20.740 27.313 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.367 23.214 27.177 1.00 0.00 H new ATOM 738 N ALA A 46 22.285 20.202 29.338 1.00 0.00 N ATOM 739 CA ALA A 46 21.551 19.467 30.352 1.00 0.00 C ATOM 740 C ALA A 46 22.465 18.367 30.904 1.00 0.00 C ATOM 741 O ALA A 46 22.046 17.298 31.343 1.00 0.00 O ATOM 742 CB ALA A 46 20.272 18.841 29.799 1.00 0.00 C ATOM 0 H ALA A 46 22.579 21.116 29.682 1.00 0.00 H new ATOM 0 HA ALA A 46 21.255 20.163 31.137 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.757 18.302 30.594 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.621 19.625 29.412 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.524 18.149 28.995 1.00 0.00 H new ATOM 748 N GLY A 47 23.770 18.577 30.707 1.00 0.00 N ATOM 749 CA GLY A 47 24.909 17.732 30.997 1.00 0.00 C ATOM 750 C GLY A 47 25.270 16.885 29.775 1.00 0.00 C ATOM 751 O GLY A 47 26.193 16.073 29.873 1.00 0.00 O ATOM 0 H GLY A 47 24.079 19.454 30.289 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.762 18.347 31.286 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.682 17.083 31.843 1.00 0.00 H new ATOM 755 N LYS A 48 24.541 16.927 28.656 1.00 0.00 N ATOM 756 CA LYS A 48 24.743 15.993 27.573 1.00 0.00 C ATOM 757 C LYS A 48 25.653 16.693 26.557 1.00 0.00 C ATOM 758 O LYS A 48 25.353 17.850 26.276 1.00 0.00 O ATOM 759 CB LYS A 48 23.378 15.803 26.886 1.00 0.00 C ATOM 760 CG LYS A 48 22.343 15.358 27.916 1.00 0.00 C ATOM 761 CD LYS A 48 21.082 14.771 27.269 1.00 0.00 C ATOM 762 CE LYS A 48 20.056 14.408 28.341 1.00 0.00 C ATOM 763 NZ LYS A 48 18.804 13.964 27.710 1.00 0.00 N ATOM 0 H LYS A 48 23.802 17.609 28.487 1.00 0.00 H new ATOM 0 HA LYS A 48 25.160 15.048 27.919 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.062 16.735 26.418 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.459 15.060 26.093 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.789 14.613 28.575 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.065 16.209 28.538 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.652 15.492 26.574 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.341 13.885 26.689 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.450 13.618 28.981 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.865 15.270 28.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.112 13.719 28.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.423 14.729 27.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.990 13.129 27.119 1.00 0.00 H new ATOM 777 N GLN A 49 26.669 16.004 26.063 1.00 0.00 N ATOM 778 CA GLN A 49 27.556 16.407 24.986 1.00 0.00 C ATOM 779 C GLN A 49 26.865 16.139 23.652 1.00 0.00 C ATOM 780 O GLN A 49 26.192 15.123 23.521 1.00 0.00 O ATOM 781 CB GLN A 49 28.825 15.577 25.183 1.00 0.00 C ATOM 782 CG GLN A 49 28.969 14.082 24.904 1.00 0.00 C ATOM 783 CD GLN A 49 28.253 13.156 25.879 1.00 0.00 C ATOM 784 OE1 GLN A 49 27.851 13.510 26.990 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.960 11.937 25.446 1.00 0.00 N ATOM 0 H GLN A 49 26.912 15.084 26.431 1.00 0.00 H new ATOM 0 HA GLN A 49 27.805 17.468 24.990 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.593 16.065 24.582 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.106 15.710 26.228 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.596 13.881 23.900 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.030 13.831 24.906 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.285 11.629 24.529 1.00 0.00 H new ATOM 0 HE22 GLN A 49 27.409 11.307 26.030 1.00 0.00 H new ATOM 794 N LEU A 50 26.862 17.106 22.729 1.00 0.00 N ATOM 795 CA LEU A 50 26.123 17.050 21.479 1.00 0.00 C ATOM 796 C LEU A 50 26.988 16.554 20.317 1.00 0.00 C ATOM 797 O LEU A 50 28.189 16.779 20.181 1.00 0.00 O ATOM 798 CB LEU A 50 25.562 18.434 21.194 1.00 0.00 C ATOM 799 CG LEU A 50 24.858 19.111 22.368 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.263 20.489 22.061 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.731 18.288 22.988 1.00 0.00 C ATOM 0 H LEU A 50 27.391 17.971 22.841 1.00 0.00 H new ATOM 0 HA LEU A 50 25.311 16.330 21.578 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.378 19.077 20.862 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.858 18.358 20.365 1.00 0.00 H new ATOM 0 HG LEU A 50 25.686 19.214 23.069 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.785 20.887 22.956 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.056 21.165 21.742 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.523 20.397 21.266 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.287 18.844 23.814 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.970 18.088 22.234 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.131 17.345 23.359 1.00 0.00 H new ATOM 813 N GLU A 51 26.276 16.011 19.344 1.00 0.00 N ATOM 814 CA GLU A 51 26.910 15.447 18.173 1.00 0.00 C ATOM 815 C GLU A 51 26.449 16.218 16.934 1.00 0.00 C ATOM 816 O GLU A 51 25.377 16.824 16.998 1.00 0.00 O ATOM 817 CB GLU A 51 26.516 13.971 18.143 1.00 0.00 C ATOM 818 CG GLU A 51 27.116 13.064 17.077 1.00 0.00 C ATOM 819 CD GLU A 51 28.639 13.117 17.116 1.00 0.00 C ATOM 820 OE1 GLU A 51 29.138 12.338 17.965 1.00 0.00 O ATOM 821 OE2 GLU A 51 29.314 13.929 16.452 1.00 0.00 O ATOM 0 H GLU A 51 25.258 15.951 19.345 1.00 0.00 H new ATOM 0 HA GLU A 51 27.997 15.526 18.194 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.765 13.545 19.115 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.432 13.923 18.043 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.779 12.039 17.233 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.762 13.369 16.092 1.00 0.00 H new ATOM 828 N ASP A 52 27.315 16.109 15.922 1.00 0.00 N ATOM 829 CA ASP A 52 27.115 16.900 14.730 1.00 0.00 C ATOM 830 C ASP A 52 26.019 16.330 13.822 1.00 0.00 C ATOM 831 O ASP A 52 25.970 15.124 13.638 1.00 0.00 O ATOM 832 CB ASP A 52 28.413 16.998 13.920 1.00 0.00 C ATOM 833 CG ASP A 52 29.335 18.085 14.456 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.932 18.911 15.303 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.551 18.044 14.169 1.00 0.00 O ATOM 0 H ASP A 52 28.132 15.499 15.912 1.00 0.00 H new ATOM 0 HA ASP A 52 26.803 17.887 15.071 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.930 16.039 13.945 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.175 17.205 12.877 1.00 0.00 H new ATOM 840 N GLY A 53 25.159 17.182 13.261 1.00 0.00 N ATOM 841 CA GLY A 53 24.121 16.729 12.354 1.00 0.00 C ATOM 842 C GLY A 53 22.722 16.546 12.944 1.00 0.00 C ATOM 843 O GLY A 53 21.752 16.523 12.188 1.00 0.00 O ATOM 0 H GLY A 53 25.167 18.189 13.424 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.053 17.442 11.532 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.436 15.778 11.925 1.00 0.00 H new ATOM 847 N ARG A 54 22.608 16.384 14.255 1.00 0.00 N ATOM 848 CA ARG A 54 21.393 16.419 15.037 1.00 0.00 C ATOM 849 C ARG A 54 20.999 17.838 15.427 1.00 0.00 C ATOM 850 O ARG A 54 21.787 18.779 15.404 1.00 0.00 O ATOM 851 CB ARG A 54 21.585 15.671 16.364 1.00 0.00 C ATOM 852 CG ARG A 54 21.863 14.178 16.276 1.00 0.00 C ATOM 853 CD ARG A 54 20.568 13.365 16.177 1.00 0.00 C ATOM 854 NE ARG A 54 19.695 13.822 15.092 1.00 0.00 N ATOM 855 CZ ARG A 54 19.975 13.636 13.792 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.122 13.075 13.385 1.00 0.00 N ATOM 857 NH2 ARG A 54 19.059 13.979 12.878 1.00 0.00 N ATOM 0 H ARG A 54 23.428 16.212 14.837 1.00 0.00 H new ATOM 0 HA ARG A 54 20.627 15.964 14.409 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.410 16.139 16.901 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.689 15.815 16.968 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.488 13.975 15.406 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.426 13.860 17.154 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.814 12.315 16.022 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.030 13.430 17.123 1.00 0.00 H new ATOM 0 HE ARG A 54 18.831 14.306 15.337 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.814 12.774 14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.303 12.949 12.389 1.00 0.00 H new ATOM 0 HH21 ARG A 54 18.166 14.374 13.174 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.254 13.845 11.886 1.00 0.00 H new ATOM 871 N THR A 55 19.782 17.963 15.967 1.00 0.00 N ATOM 872 CA THR A 55 19.027 19.184 16.089 1.00 0.00 C ATOM 873 C THR A 55 18.928 19.608 17.558 1.00 0.00 C ATOM 874 O THR A 55 19.100 18.813 18.486 1.00 0.00 O ATOM 875 CB THR A 55 17.639 18.961 15.484 1.00 0.00 C ATOM 876 OG1 THR A 55 16.794 18.040 16.126 1.00 0.00 O ATOM 877 CG2 THR A 55 17.828 18.678 13.996 1.00 0.00 C ATOM 0 H THR A 55 19.282 17.160 16.348 1.00 0.00 H new ATOM 0 HA THR A 55 19.529 19.988 15.552 1.00 0.00 H new ATOM 0 HB THR A 55 17.073 19.878 15.646 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.096 17.747 15.503 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.856 18.513 13.531 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.317 19.529 13.523 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.446 17.789 13.870 1.00 0.00 H new ATOM 885 N LEU A 56 18.563 20.867 17.797 1.00 0.00 N ATOM 886 CA LEU A 56 17.887 21.343 18.985 1.00 0.00 C ATOM 887 C LEU A 56 16.752 20.401 19.416 1.00 0.00 C ATOM 888 O LEU A 56 16.687 20.057 20.588 1.00 0.00 O ATOM 889 CB LEU A 56 17.469 22.809 18.843 1.00 0.00 C ATOM 890 CG LEU A 56 18.573 23.596 18.134 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.209 24.929 17.497 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.861 23.833 18.932 1.00 0.00 C ATOM 0 H LEU A 56 18.744 21.615 17.127 1.00 0.00 H new ATOM 0 HA LEU A 56 18.598 21.323 19.811 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.540 22.879 18.278 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.277 23.239 19.826 1.00 0.00 H new ATOM 0 HG LEU A 56 18.743 22.870 17.339 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.095 25.365 17.035 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.443 24.772 16.737 1.00 0.00 H new ATOM 0 HD13 LEU A 56 17.828 25.606 18.262 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.566 24.400 18.325 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.630 24.393 19.838 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.304 22.874 19.201 1.00 0.00 H new ATOM 904 N SER A 57 15.896 19.982 18.489 1.00 0.00 N ATOM 905 CA SER A 57 14.666 19.255 18.718 1.00 0.00 C ATOM 906 C SER A 57 14.892 17.868 19.341 1.00 0.00 C ATOM 907 O SER A 57 14.084 17.461 20.162 1.00 0.00 O ATOM 908 CB SER A 57 13.868 19.036 17.431 1.00 0.00 C ATOM 909 OG SER A 57 12.531 18.617 17.587 1.00 0.00 O ATOM 0 H SER A 57 16.060 20.156 17.497 1.00 0.00 H new ATOM 0 HA SER A 57 14.112 19.888 19.411 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.870 19.967 16.865 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.390 18.294 16.827 1.00 0.00 H new ATOM 0 HG SER A 57 12.117 18.510 16.705 1.00 0.00 H new ATOM 915 N ASP A 58 15.927 17.144 18.933 1.00 0.00 N ATOM 916 CA ASP A 58 16.423 15.821 19.277 1.00 0.00 C ATOM 917 C ASP A 58 16.863 15.816 20.743 1.00 0.00 C ATOM 918 O ASP A 58 16.613 14.863 21.474 1.00 0.00 O ATOM 919 CB ASP A 58 17.580 15.421 18.369 1.00 0.00 C ATOM 920 CG ASP A 58 17.172 15.189 16.921 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.107 14.582 16.635 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.946 15.667 16.070 1.00 0.00 O ATOM 0 H ASP A 58 16.542 17.550 18.228 1.00 0.00 H new ATOM 0 HA ASP A 58 15.625 15.092 19.135 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.342 16.200 18.402 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.037 14.511 18.758 1.00 0.00 H new ATOM 927 N TYR A 59 17.594 16.861 21.138 1.00 0.00 N ATOM 928 CA TYR A 59 18.180 16.944 22.464 1.00 0.00 C ATOM 929 C TYR A 59 17.259 17.761 23.375 1.00 0.00 C ATOM 930 O TYR A 59 17.600 18.231 24.459 1.00 0.00 O ATOM 931 CB TYR A 59 19.535 17.650 22.338 1.00 0.00 C ATOM 932 CG TYR A 59 20.571 16.767 21.696 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.946 15.511 22.184 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.282 17.266 20.595 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.972 14.749 21.609 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.249 16.495 19.946 1.00 0.00 C ATOM 937 CZ TYR A 59 22.565 15.215 20.432 1.00 0.00 C ATOM 938 OH TYR A 59 23.604 14.590 19.813 1.00 0.00 O ATOM 0 H TYR A 59 17.792 17.667 20.545 1.00 0.00 H new ATOM 0 HA TYR A 59 18.309 15.949 22.890 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.417 18.559 21.748 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.879 17.954 23.327 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.423 15.112 23.040 1.00 0.00 H new ATOM 0 HD2 TYR A 59 21.078 18.266 20.242 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.296 13.825 22.064 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.753 16.882 19.073 1.00 0.00 H new ATOM 0 HH TYR A 59 23.556 14.754 18.848 1.00 0.00 H new ATOM 948 N ASN A 60 16.025 18.054 22.977 1.00 0.00 N ATOM 949 CA ASN A 60 14.923 18.723 23.628 1.00 0.00 C ATOM 950 C ASN A 60 15.237 20.134 24.143 1.00 0.00 C ATOM 951 O ASN A 60 14.959 20.544 25.267 1.00 0.00 O ATOM 952 CB ASN A 60 14.403 17.832 24.755 1.00 0.00 C ATOM 953 CG ASN A 60 13.072 17.166 24.455 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.934 15.984 24.161 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.957 17.885 24.615 1.00 0.00 N ATOM 0 H ASN A 60 15.742 17.778 22.037 1.00 0.00 H new ATOM 0 HA ASN A 60 14.157 18.878 22.868 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.144 17.061 24.965 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.301 18.431 25.660 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.045 17.446 24.492 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.018 18.873 24.860 1.00 0.00 H new ATOM 962 N ILE A 61 15.950 20.820 23.254 1.00 0.00 N ATOM 963 CA ILE A 61 16.542 22.116 23.489 1.00 0.00 C ATOM 964 C ILE A 61 15.466 23.067 22.961 1.00 0.00 C ATOM 965 O ILE A 61 15.386 23.350 21.774 1.00 0.00 O ATOM 966 CB ILE A 61 17.796 22.326 22.623 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.749 21.208 23.029 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.415 23.723 22.618 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.185 21.460 22.575 1.00 0.00 C ATOM 0 H ILE A 61 16.133 20.466 22.315 1.00 0.00 H new ATOM 0 HA ILE A 61 16.832 22.252 24.531 1.00 0.00 H new ATOM 0 HB ILE A 61 17.522 22.270 21.570 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.730 21.096 24.113 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.399 20.267 22.605 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.290 23.731 21.968 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.684 24.444 22.251 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.713 23.993 23.631 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.818 20.631 22.892 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.214 21.543 21.489 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.550 22.386 23.020 1.00 0.00 H new ATOM 981 N GLN A 62 14.723 23.632 23.912 1.00 0.00 N ATOM 982 CA GLN A 62 13.618 24.498 23.573 1.00 0.00 C ATOM 983 C GLN A 62 13.988 25.986 23.559 1.00 0.00 C ATOM 984 O GLN A 62 15.173 26.281 23.677 1.00 0.00 O ATOM 985 CB GLN A 62 12.475 24.316 24.586 1.00 0.00 C ATOM 986 CG GLN A 62 11.641 23.056 24.378 1.00 0.00 C ATOM 987 CD GLN A 62 10.350 22.949 25.180 1.00 0.00 C ATOM 988 OE1 GLN A 62 9.431 22.245 24.764 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.195 23.722 26.254 1.00 0.00 N ATOM 0 H GLN A 62 14.872 23.501 24.913 1.00 0.00 H new ATOM 0 HA GLN A 62 13.318 24.210 22.565 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.897 24.296 25.591 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.818 25.184 24.534 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.391 22.985 23.320 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.263 22.193 24.617 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.969 24.299 26.583 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.302 23.737 26.747 1.00 0.00 H new ATOM 998 N LYS A 63 13.062 26.873 23.220 1.00 0.00 N ATOM 999 CA LYS A 63 13.187 28.306 23.033 1.00 0.00 C ATOM 1000 C LYS A 63 13.891 29.090 24.130 1.00 0.00 C ATOM 1001 O LYS A 63 13.741 28.753 25.305 1.00 0.00 O ATOM 1002 CB LYS A 63 11.788 28.854 22.706 1.00 0.00 C ATOM 1003 CG LYS A 63 10.697 28.766 23.773 1.00 0.00 C ATOM 1004 CD LYS A 63 9.289 29.106 23.286 1.00 0.00 C ATOM 1005 CE LYS A 63 8.307 29.170 24.456 1.00 0.00 C ATOM 1006 NZ LYS A 63 6.912 29.113 23.994 1.00 0.00 N ATOM 0 H LYS A 63 12.103 26.569 23.052 1.00 0.00 H new ATOM 0 HA LYS A 63 13.880 28.457 22.205 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.900 29.903 22.433 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.427 28.331 21.820 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.690 27.755 24.181 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.955 29.439 24.591 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.302 30.063 22.764 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.957 28.356 22.568 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.499 28.342 25.139 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.468 30.090 25.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.273 29.159 24.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.723 29.917 23.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.753 28.223 23.480 1.00 0.00 H new ATOM 1020 N GLU A 64 14.689 30.103 23.787 1.00 0.00 N ATOM 1021 CA GLU A 64 15.375 30.907 24.779 1.00 0.00 C ATOM 1022 C GLU A 64 16.427 30.269 25.695 1.00 0.00 C ATOM 1023 O GLU A 64 16.928 30.782 26.696 1.00 0.00 O ATOM 1024 CB GLU A 64 14.479 31.846 25.577 1.00 0.00 C ATOM 1025 CG GLU A 64 14.074 33.036 24.710 1.00 0.00 C ATOM 1026 CD GLU A 64 13.043 34.005 25.283 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.218 33.603 26.132 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.006 35.176 24.849 1.00 0.00 O ATOM 0 H GLU A 64 14.871 30.381 22.823 1.00 0.00 H new ATOM 0 HA GLU A 64 15.980 31.478 24.075 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.591 31.314 25.918 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.003 32.194 26.467 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.975 33.603 24.475 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.685 32.649 23.768 1.00 0.00 H new ATOM 1035 N SER A 65 16.784 29.047 25.321 1.00 0.00 N ATOM 1036 CA SER A 65 17.724 28.213 26.049 1.00 0.00 C ATOM 1037 C SER A 65 19.176 28.667 25.907 1.00 0.00 C ATOM 1038 O SER A 65 19.575 29.131 24.847 1.00 0.00 O ATOM 1039 CB SER A 65 17.620 26.771 25.543 1.00 0.00 C ATOM 1040 OG SER A 65 16.420 26.087 25.870 1.00 0.00 O ATOM 0 H SER A 65 16.417 28.600 24.481 1.00 0.00 H new ATOM 0 HA SER A 65 17.456 28.293 27.103 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.728 26.778 24.458 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.460 26.204 25.944 1.00 0.00 H new ATOM 0 HG SER A 65 16.011 25.734 25.052 1.00 0.00 H new ATOM 1046 N THR A 66 19.983 28.547 26.959 1.00 0.00 N ATOM 1047 CA THR A 66 21.383 28.839 27.144 1.00 0.00 C ATOM 1048 C THR A 66 22.178 27.569 26.849 1.00 0.00 C ATOM 1049 O THR A 66 21.784 26.453 27.204 1.00 0.00 O ATOM 1050 CB THR A 66 21.572 29.295 28.591 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.900 30.499 28.893 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.039 29.467 28.976 1.00 0.00 C ATOM 0 H THR A 66 19.595 28.185 27.830 1.00 0.00 H new ATOM 0 HA THR A 66 21.732 29.626 26.476 1.00 0.00 H new ATOM 0 HB THR A 66 21.133 28.485 29.174 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.058 30.736 29.831 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.107 29.792 30.014 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.560 28.517 28.858 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.499 30.215 28.331 1.00 0.00 H new ATOM 1060 N LEU A 67 23.306 27.729 26.170 1.00 0.00 N ATOM 1061 CA LEU A 67 24.378 26.797 25.909 1.00 0.00 C ATOM 1062 C LEU A 67 25.749 27.417 26.207 1.00 0.00 C ATOM 1063 O LEU A 67 25.827 28.633 26.302 1.00 0.00 O ATOM 1064 CB LEU A 67 24.257 26.308 24.470 1.00 0.00 C ATOM 1065 CG LEU A 67 23.029 25.488 24.074 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.132 26.392 23.232 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.452 24.345 23.142 1.00 0.00 C ATOM 0 H LEU A 67 23.509 28.631 25.739 1.00 0.00 H new ATOM 0 HA LEU A 67 24.293 25.940 26.578 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.295 27.182 23.820 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.140 25.708 24.249 1.00 0.00 H new ATOM 0 HG LEU A 67 22.540 25.106 24.970 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.242 25.841 22.929 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.838 27.262 23.819 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.675 26.720 22.346 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.575 23.762 22.861 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.915 24.758 22.246 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.166 23.702 23.656 1.00 0.00 H new ATOM 1079 N HIS A 68 26.758 26.584 26.445 1.00 0.00 N ATOM 1080 CA HIS A 68 28.174 26.868 26.430 1.00 0.00 C ATOM 1081 C HIS A 68 28.879 25.888 25.491 1.00 0.00 C ATOM 1082 O HIS A 68 28.376 24.767 25.364 1.00 0.00 O ATOM 1083 CB HIS A 68 28.817 26.824 27.805 1.00 0.00 C ATOM 1084 CG HIS A 68 29.031 25.467 28.434 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.923 24.708 28.786 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.175 24.864 28.869 1.00 0.00 C ATOM 1087 CE1 HIS A 68 28.452 23.563 29.224 1.00 0.00 C ATOM 1088 NE2 HIS A 68 29.794 23.597 29.281 1.00 0.00 N ATOM 0 H HIS A 68 26.580 25.606 26.673 1.00 0.00 H new ATOM 0 HA HIS A 68 28.287 27.892 26.073 1.00 0.00 H new ATOM 0 HB2 HIS A 68 29.785 27.320 27.739 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.201 27.415 28.483 1.00 0.00 H new ATOM 0 HD2 HIS A 68 31.169 25.286 28.888 1.00 0.00 H new ATOM 0 HE1 HIS A 68 27.864 22.701 29.503 1.00 0.00 H new ATOM 0 HE2 HIS A 68 30.411 22.839 29.571 1.00 0.00 H new ATOM 1096 N LEU A 69 29.960 26.335 24.858 1.00 0.00 N ATOM 1097 CA LEU A 69 30.999 25.660 24.102 1.00 0.00 C ATOM 1098 C LEU A 69 32.225 25.448 24.995 1.00 0.00 C ATOM 1099 O LEU A 69 32.781 26.365 25.602 1.00 0.00 O ATOM 1100 CB LEU A 69 31.541 26.276 22.815 1.00 0.00 C ATOM 1101 CG LEU A 69 31.976 27.738 22.950 1.00 0.00 C ATOM 1102 CD1 LEU A 69 33.454 27.897 22.590 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.142 28.660 22.049 1.00 0.00 C ATOM 0 H LEU A 69 30.150 27.337 24.870 1.00 0.00 H new ATOM 0 HA LEU A 69 30.461 24.767 23.783 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.392 25.686 22.474 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.775 26.207 22.042 1.00 0.00 H new ATOM 0 HG LEU A 69 31.817 28.024 23.990 1.00 0.00 H new ATOM 0 HD11 LEU A 69 33.743 28.943 22.692 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.059 27.286 23.260 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.614 27.575 21.561 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.479 29.690 22.171 1.00 0.00 H new ATOM 0 HD22 LEU A 69 31.264 28.359 21.008 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.091 28.587 22.327 1.00 0.00 H new ATOM 1115 N VAL A 70 32.686 24.204 24.974 1.00 0.00 N ATOM 1116 CA VAL A 70 33.990 23.801 25.460 1.00 0.00 C ATOM 1117 C VAL A 70 34.919 23.567 24.264 1.00 0.00 C ATOM 1118 O VAL A 70 34.461 22.975 23.286 1.00 0.00 O ATOM 1119 CB VAL A 70 33.782 22.525 26.270 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.102 21.886 26.701 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.825 22.666 27.453 1.00 0.00 C ATOM 0 H VAL A 70 32.140 23.425 24.605 1.00 0.00 H new ATOM 0 HA VAL A 70 34.451 24.564 26.087 1.00 0.00 H new ATOM 0 HB VAL A 70 33.287 21.848 25.574 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.898 20.982 27.274 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.689 21.632 25.818 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.662 22.588 27.318 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.740 21.709 27.968 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.208 23.417 28.144 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.843 22.972 27.092 1.00 0.00 H new ATOM 1131 N LEU A 71 36.156 24.047 24.345 1.00 0.00 N ATOM 1132 CA LEU A 71 37.246 23.955 23.399 1.00 0.00 C ATOM 1133 C LEU A 71 38.136 22.755 23.718 1.00 0.00 C ATOM 1134 O LEU A 71 38.843 22.674 24.729 1.00 0.00 O ATOM 1135 CB LEU A 71 38.047 25.264 23.437 1.00 0.00 C ATOM 1136 CG LEU A 71 37.265 26.521 23.059 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.949 27.779 23.608 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.098 26.714 21.552 1.00 0.00 C ATOM 0 H LEU A 71 36.444 24.568 25.173 1.00 0.00 H new ATOM 0 HA LEU A 71 36.849 23.807 22.395 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.449 25.395 24.441 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.898 25.169 22.763 1.00 0.00 H new ATOM 0 HG LEU A 71 36.279 26.377 23.501 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.372 28.660 23.325 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.007 27.717 24.695 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.955 27.856 23.195 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.533 27.627 21.362 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.079 26.791 21.084 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.562 25.862 21.133 1.00 0.00 H new