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 7 THR OG1 : rot -80:sc= 1.49 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00301 USER MOD Single : A 1 MET CE :methyl 156:sc= -0.0204 (180deg=-0.201) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.24 (180deg=1.23) USER MOD Single : A 2 GLN : amide:sc= 1.07 K(o=1.1,f=-0.08) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0.926 (180deg=0.38) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 87:sc= 0.393 USER MOD Single : A 20 SER OG : rot -35:sc= 0.371 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -117:sc= 2.12 (180deg=0.303) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 1.2 (180deg=1.13) USER MOD Single : A 31 GLN : amide:sc= -0.288 K(o=-0.29,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -144:sc= 1.17 (180deg=1.12) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 GLN : amide:sc= -1.29 K(o=-1.3,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.407 K(o=-0.41,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 153:sc= 0.0475 USER MOD Single : A 60 ASN : amide:sc= -0.135 X(o=-0.14,f=-0.36) USER MOD Single : A 62 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0.231 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.862 30.878 15.499 1.00 0.00 N ATOM 2 CA MET A 1 13.767 30.614 16.944 1.00 0.00 C ATOM 3 C MET A 1 15.123 31.120 17.452 1.00 0.00 C ATOM 4 O MET A 1 16.173 30.829 16.885 1.00 0.00 O ATOM 5 CB MET A 1 13.506 29.161 17.344 1.00 0.00 C ATOM 6 CG MET A 1 13.764 28.820 18.819 1.00 0.00 C ATOM 7 SD MET A 1 13.498 27.090 19.290 1.00 0.00 S ATOM 8 CE MET A 1 15.065 26.362 18.743 1.00 0.00 C ATOM 0 H1 MET A 1 13.030 30.481 15.018 1.00 0.00 H new ATOM 0 H2 MET A 1 13.899 31.904 15.335 1.00 0.00 H new ATOM 0 H3 MET A 1 14.724 30.436 15.121 1.00 0.00 H new ATOM 0 HA MET A 1 12.897 31.107 17.379 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.469 28.920 17.110 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.130 28.516 16.726 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.793 29.088 19.059 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.120 29.447 19.435 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.259 25.450 19.308 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.005 26.125 17.681 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.874 27.072 18.911 1.00 0.00 H new ATOM 20 N GLN A 2 15.219 32.056 18.383 1.00 0.00 N ATOM 21 CA GLN A 2 16.498 32.358 19.006 1.00 0.00 C ATOM 22 C GLN A 2 16.832 31.307 20.067 1.00 0.00 C ATOM 23 O GLN A 2 15.955 30.763 20.732 1.00 0.00 O ATOM 24 CB GLN A 2 16.315 33.767 19.575 1.00 0.00 C ATOM 25 CG GLN A 2 15.965 34.876 18.577 1.00 0.00 C ATOM 26 CD GLN A 2 16.011 36.311 19.079 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.635 36.586 20.218 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.487 37.267 18.291 1.00 0.00 N ATOM 0 H GLN A 2 14.435 32.615 18.721 1.00 0.00 H new ATOM 0 HA GLN A 2 17.342 32.330 18.317 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.529 33.729 20.330 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.235 34.049 20.087 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.646 34.794 17.730 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.961 34.684 18.199 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.799 37.041 17.347 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.541 38.228 18.630 1.00 0.00 H new ATOM 37 N ILE A 3 18.122 31.053 20.234 1.00 0.00 N ATOM 38 CA ILE A 3 18.724 30.355 21.342 1.00 0.00 C ATOM 39 C ILE A 3 19.954 31.222 21.632 1.00 0.00 C ATOM 40 O ILE A 3 20.425 31.969 20.788 1.00 0.00 O ATOM 41 CB ILE A 3 19.076 28.905 21.005 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.992 28.643 19.807 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.736 28.244 20.704 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.331 27.152 19.724 1.00 0.00 C ATOM 0 H ILE A 3 18.815 31.353 19.548 1.00 0.00 H new ATOM 0 HA ILE A 3 18.063 30.245 22.202 1.00 0.00 H new ATOM 0 HB ILE A 3 19.645 28.523 21.852 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.503 28.965 18.888 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.907 29.228 19.903 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.896 27.196 20.451 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.092 28.312 21.581 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.260 28.751 19.865 1.00 0.00 H new ATOM 0 HD11 ILE A 3 20.983 26.974 18.869 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.838 26.843 20.638 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.413 26.576 19.606 1.00 0.00 H new ATOM 56 N PHE A 4 20.568 31.062 22.804 1.00 0.00 N ATOM 57 CA PHE A 4 21.720 31.802 23.284 1.00 0.00 C ATOM 58 C PHE A 4 22.873 30.842 23.593 1.00 0.00 C ATOM 59 O PHE A 4 22.727 29.689 23.989 1.00 0.00 O ATOM 60 CB PHE A 4 21.267 32.609 24.504 1.00 0.00 C ATOM 61 CG PHE A 4 20.055 33.510 24.433 1.00 0.00 C ATOM 62 CD1 PHE A 4 19.818 34.366 23.350 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.163 33.512 25.503 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.669 35.165 23.246 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.069 34.390 25.452 1.00 0.00 C ATOM 66 CZ PHE A 4 17.793 35.205 24.345 1.00 0.00 C ATOM 0 H PHE A 4 20.250 30.368 23.480 1.00 0.00 H new ATOM 0 HA PHE A 4 22.101 32.491 22.530 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.089 31.897 25.310 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.110 33.230 24.807 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.552 34.413 22.560 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.309 32.856 26.348 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.464 35.732 22.350 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.409 34.440 26.305 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.926 35.849 24.337 1.00 0.00 H new ATOM 76 N VAL A 5 24.105 31.333 23.464 1.00 0.00 N ATOM 77 CA VAL A 5 25.286 30.617 23.881 1.00 0.00 C ATOM 78 C VAL A 5 26.141 31.484 24.813 1.00 0.00 C ATOM 79 O VAL A 5 26.351 32.664 24.516 1.00 0.00 O ATOM 80 CB VAL A 5 26.031 30.132 22.642 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.090 29.085 22.994 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.227 29.372 21.589 1.00 0.00 C ATOM 0 H VAL A 5 24.302 32.249 23.062 1.00 0.00 H new ATOM 0 HA VAL A 5 25.017 29.737 24.465 1.00 0.00 H new ATOM 0 HB VAL A 5 26.387 31.085 22.252 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.600 28.763 22.086 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.815 29.518 23.683 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.611 28.226 23.464 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.882 29.088 20.765 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.798 28.476 22.036 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.426 30.009 21.213 1.00 0.00 H new ATOM 92 N LYS A 6 26.540 30.948 25.959 1.00 0.00 N ATOM 93 CA LYS A 6 27.677 31.379 26.753 1.00 0.00 C ATOM 94 C LYS A 6 28.989 30.725 26.283 1.00 0.00 C ATOM 95 O LYS A 6 28.961 29.725 25.581 1.00 0.00 O ATOM 96 CB LYS A 6 27.402 31.000 28.209 1.00 0.00 C ATOM 97 CG LYS A 6 26.905 32.153 29.083 1.00 0.00 C ATOM 98 CD LYS A 6 27.011 32.011 30.601 1.00 0.00 C ATOM 99 CE LYS A 6 26.551 33.224 31.415 1.00 0.00 C ATOM 100 NZ LYS A 6 26.811 33.016 32.850 1.00 0.00 N ATOM 0 H LYS A 6 26.051 30.158 26.380 1.00 0.00 H new ATOM 0 HA LYS A 6 27.800 32.456 26.642 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.661 30.200 28.229 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.317 30.598 28.645 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.454 33.049 28.794 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.857 32.328 28.838 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.423 31.146 30.909 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.049 31.798 30.856 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.072 34.118 31.072 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.486 33.394 31.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.492 33.849 33.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.294 32.175 33.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.830 32.877 33.001 1.00 0.00 H new ATOM 114 N THR A 7 30.090 31.261 26.790 1.00 0.00 N ATOM 115 CA THR A 7 31.413 30.815 26.398 1.00 0.00 C ATOM 116 C THR A 7 32.251 30.427 27.611 1.00 0.00 C ATOM 117 O THR A 7 31.716 30.486 28.721 1.00 0.00 O ATOM 118 CB THR A 7 32.119 31.968 25.693 1.00 0.00 C ATOM 119 OG1 THR A 7 31.867 33.171 26.388 1.00 0.00 O ATOM 120 CG2 THR A 7 31.559 32.250 24.287 1.00 0.00 C ATOM 0 H THR A 7 30.089 32.012 27.480 1.00 0.00 H new ATOM 0 HA THR A 7 31.305 29.946 25.749 1.00 0.00 H new ATOM 0 HB THR A 7 33.168 31.677 25.650 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.982 33.513 26.141 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.103 33.081 23.839 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.674 31.363 23.665 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.502 32.506 24.361 1.00 0.00 H new ATOM 128 N LEU A 8 33.476 29.941 27.420 1.00 0.00 N ATOM 129 CA LEU A 8 34.396 29.651 28.497 1.00 0.00 C ATOM 130 C LEU A 8 34.887 30.867 29.296 1.00 0.00 C ATOM 131 O LEU A 8 35.183 30.787 30.484 1.00 0.00 O ATOM 132 CB LEU A 8 35.481 28.767 27.877 1.00 0.00 C ATOM 133 CG LEU A 8 36.458 28.199 28.912 1.00 0.00 C ATOM 134 CD1 LEU A 8 37.613 29.160 29.183 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.896 27.521 30.152 1.00 0.00 C ATOM 0 H LEU A 8 33.855 29.738 26.495 1.00 0.00 H new ATOM 0 HA LEU A 8 33.893 29.119 29.304 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.008 27.943 27.342 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.037 29.347 27.141 1.00 0.00 H new ATOM 0 HG LEU A 8 36.856 27.318 28.408 1.00 0.00 H new ATOM 0 HD11 LEU A 8 38.285 28.723 29.922 1.00 0.00 H new ATOM 0 HD12 LEU A 8 38.160 29.341 28.258 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.220 30.103 29.563 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.716 27.175 30.781 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.285 28.231 30.710 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.283 26.670 29.855 1.00 0.00 H new ATOM 147 N THR A 9 35.035 31.968 28.569 1.00 0.00 N ATOM 148 CA THR A 9 35.202 33.327 29.044 1.00 0.00 C ATOM 149 C THR A 9 33.983 33.828 29.823 1.00 0.00 C ATOM 150 O THR A 9 34.099 34.121 31.007 1.00 0.00 O ATOM 151 CB THR A 9 35.599 34.136 27.809 1.00 0.00 C ATOM 152 OG1 THR A 9 34.639 34.085 26.781 1.00 0.00 O ATOM 153 CG2 THR A 9 36.945 33.811 27.179 1.00 0.00 C ATOM 0 H THR A 9 35.041 31.924 27.550 1.00 0.00 H new ATOM 0 HA THR A 9 35.985 33.425 29.796 1.00 0.00 H new ATOM 0 HB THR A 9 35.672 35.134 28.240 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.946 34.621 26.020 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.106 34.454 26.313 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.738 33.979 27.908 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.957 32.768 26.864 1.00 0.00 H new ATOM 161 N GLY A 10 32.836 33.644 29.172 1.00 0.00 N ATOM 162 CA GLY A 10 31.505 33.786 29.727 1.00 0.00 C ATOM 163 C GLY A 10 30.739 34.917 29.039 1.00 0.00 C ATOM 164 O GLY A 10 29.631 35.201 29.506 1.00 0.00 O ATOM 0 H GLY A 10 32.817 33.377 28.188 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.958 32.850 29.612 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.573 33.987 30.796 1.00 0.00 H new ATOM 168 N LYS A 11 31.188 35.443 27.904 1.00 0.00 N ATOM 169 CA LYS A 11 30.699 36.416 26.945 1.00 0.00 C ATOM 170 C LYS A 11 29.528 35.687 26.290 1.00 0.00 C ATOM 171 O LYS A 11 29.517 34.469 26.113 1.00 0.00 O ATOM 172 CB LYS A 11 31.811 36.665 25.912 1.00 0.00 C ATOM 173 CG LYS A 11 31.486 37.606 24.749 1.00 0.00 C ATOM 174 CD LYS A 11 32.677 37.909 23.835 1.00 0.00 C ATOM 175 CE LYS A 11 32.418 38.948 22.746 1.00 0.00 C ATOM 176 NZ LYS A 11 33.220 38.863 21.517 1.00 0.00 N ATOM 0 H LYS A 11 32.098 35.118 27.578 1.00 0.00 H new ATOM 0 HA LYS A 11 30.413 37.377 27.373 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.678 37.065 26.438 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.107 35.702 25.495 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.687 37.166 24.152 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.103 38.544 25.151 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.508 38.252 24.451 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.994 36.981 23.360 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.367 38.885 22.466 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.574 39.935 23.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.783 39.447 20.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.183 39.208 21.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.263 37.874 21.198 1.00 0.00 H new ATOM 190 N THR A 12 28.435 36.438 26.147 1.00 0.00 N ATOM 191 CA THR A 12 27.170 35.927 25.653 1.00 0.00 C ATOM 192 C THR A 12 27.171 36.070 24.131 1.00 0.00 C ATOM 193 O THR A 12 27.580 37.125 23.641 1.00 0.00 O ATOM 194 CB THR A 12 26.127 36.882 26.214 1.00 0.00 C ATOM 195 OG1 THR A 12 26.243 36.973 27.615 1.00 0.00 O ATOM 196 CG2 THR A 12 24.633 36.600 26.003 1.00 0.00 C ATOM 0 H THR A 12 28.411 37.432 26.376 1.00 0.00 H new ATOM 0 HA THR A 12 26.989 34.888 25.930 1.00 0.00 H new ATOM 0 HB THR A 12 26.372 37.771 25.633 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.566 37.592 27.960 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.044 37.388 26.473 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.415 36.572 24.935 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.377 35.640 26.451 1.00 0.00 H new ATOM 204 N ILE A 13 26.640 35.096 23.400 1.00 0.00 N ATOM 205 CA ILE A 13 26.229 35.088 22.008 1.00 0.00 C ATOM 206 C ILE A 13 24.714 34.849 21.993 1.00 0.00 C ATOM 207 O ILE A 13 24.218 34.131 22.852 1.00 0.00 O ATOM 208 CB ILE A 13 26.891 33.895 21.335 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.323 33.545 21.734 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.830 34.044 19.813 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.886 32.276 21.082 1.00 0.00 C ATOM 0 H ILE A 13 26.469 34.185 23.825 1.00 0.00 H new ATOM 0 HA ILE A 13 26.497 36.017 21.504 1.00 0.00 H new ATOM 0 HB ILE A 13 26.298 33.059 21.707 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.970 34.384 21.479 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.364 33.428 22.817 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.307 33.184 19.344 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.789 34.100 19.494 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.350 34.954 19.515 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.907 32.112 21.427 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.268 31.421 21.356 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.884 32.392 19.998 1.00 0.00 H new ATOM 223 N THR A 14 24.109 35.437 20.964 1.00 0.00 N ATOM 224 CA THR A 14 22.721 35.234 20.581 1.00 0.00 C ATOM 225 C THR A 14 22.647 35.034 19.063 1.00 0.00 C ATOM 226 O THR A 14 23.399 35.568 18.258 1.00 0.00 O ATOM 227 CB THR A 14 21.946 36.445 21.094 1.00 0.00 C ATOM 228 OG1 THR A 14 20.584 36.411 20.703 1.00 0.00 O ATOM 229 CG2 THR A 14 22.456 37.794 20.608 1.00 0.00 C ATOM 0 H THR A 14 24.594 36.093 20.352 1.00 0.00 H new ATOM 0 HA THR A 14 22.277 34.339 21.017 1.00 0.00 H new ATOM 0 HB THR A 14 22.083 36.365 22.172 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.067 35.905 21.363 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.839 38.589 21.028 1.00 0.00 H new ATOM 0 HG22 THR A 14 23.489 37.929 20.928 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.405 37.832 19.520 1.00 0.00 H new ATOM 237 N LEU A 15 21.797 34.098 18.654 1.00 0.00 N ATOM 238 CA LEU A 15 21.697 33.629 17.283 1.00 0.00 C ATOM 239 C LEU A 15 20.207 33.407 17.028 1.00 0.00 C ATOM 240 O LEU A 15 19.334 33.418 17.886 1.00 0.00 O ATOM 241 CB LEU A 15 22.506 32.383 16.941 1.00 0.00 C ATOM 242 CG LEU A 15 23.923 32.281 17.523 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.284 30.798 17.565 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.907 32.942 16.552 1.00 0.00 C ATOM 0 H LEU A 15 21.143 33.635 19.286 1.00 0.00 H new ATOM 0 HA LEU A 15 22.140 34.383 16.632 1.00 0.00 H new ATOM 0 HB2 LEU A 15 21.941 31.512 17.274 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.582 32.318 15.856 1.00 0.00 H new ATOM 0 HG LEU A 15 23.967 32.753 18.505 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.287 30.679 17.974 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.570 30.268 18.195 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.252 30.387 16.556 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.917 32.875 16.956 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.867 32.432 15.590 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.638 33.990 16.419 1.00 0.00 H new ATOM 256 N GLU A 16 19.932 33.373 15.720 1.00 0.00 N ATOM 257 CA GLU A 16 18.705 32.820 15.184 1.00 0.00 C ATOM 258 C GLU A 16 18.998 31.510 14.443 1.00 0.00 C ATOM 259 O GLU A 16 19.861 31.346 13.584 1.00 0.00 O ATOM 260 CB GLU A 16 18.111 33.799 14.169 1.00 0.00 C ATOM 261 CG GLU A 16 17.265 34.849 14.895 1.00 0.00 C ATOM 262 CD GLU A 16 17.931 36.120 15.382 1.00 0.00 C ATOM 263 OE1 GLU A 16 19.152 36.324 15.283 1.00 0.00 O ATOM 264 OE2 GLU A 16 17.100 37.017 15.655 1.00 0.00 O ATOM 0 H GLU A 16 20.566 33.734 15.007 1.00 0.00 H new ATOM 0 HA GLU A 16 18.015 32.642 16.009 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.910 34.286 13.609 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.498 33.261 13.447 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.454 35.138 14.226 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.809 34.365 15.759 1.00 0.00 H new ATOM 271 N VAL A 17 18.264 30.471 14.831 1.00 0.00 N ATOM 272 CA VAL A 17 18.277 29.083 14.426 1.00 0.00 C ATOM 273 C VAL A 17 16.848 28.596 14.190 1.00 0.00 C ATOM 274 O VAL A 17 15.882 29.359 14.299 1.00 0.00 O ATOM 275 CB VAL A 17 18.962 28.161 15.431 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.373 28.706 15.681 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.163 27.820 16.692 1.00 0.00 C ATOM 0 H VAL A 17 17.545 30.615 15.540 1.00 0.00 H new ATOM 0 HA VAL A 17 18.859 29.039 13.505 1.00 0.00 H new ATOM 0 HB VAL A 17 19.030 27.167 14.989 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.889 28.066 16.397 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.928 28.722 14.743 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.307 29.718 16.081 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.752 27.160 17.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.932 28.736 17.235 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.236 27.321 16.411 1.00 0.00 H new ATOM 287 N GLU A 18 16.574 27.342 13.833 1.00 0.00 N ATOM 288 CA GLU A 18 15.316 26.635 13.771 1.00 0.00 C ATOM 289 C GLU A 18 15.386 25.274 14.469 1.00 0.00 C ATOM 290 O GLU A 18 16.491 24.724 14.498 1.00 0.00 O ATOM 291 CB GLU A 18 14.935 26.720 12.295 1.00 0.00 C ATOM 292 CG GLU A 18 13.922 27.828 12.017 1.00 0.00 C ATOM 293 CD GLU A 18 13.367 27.704 10.601 1.00 0.00 C ATOM 294 OE1 GLU A 18 14.111 27.240 9.705 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.239 28.203 10.380 1.00 0.00 O ATOM 0 H GLU A 18 17.336 26.728 13.545 1.00 0.00 H new ATOM 0 HA GLU A 18 14.494 27.059 14.348 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.832 26.894 11.701 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.521 25.764 11.974 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.107 27.773 12.739 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.395 28.802 12.144 1.00 0.00 H new ATOM 302 N PRO A 19 14.326 24.748 15.063 1.00 0.00 N ATOM 303 CA PRO A 19 14.335 23.575 15.921 1.00 0.00 C ATOM 304 C PRO A 19 15.062 22.317 15.435 1.00 0.00 C ATOM 305 O PRO A 19 15.800 21.620 16.128 1.00 0.00 O ATOM 306 CB PRO A 19 12.855 23.251 16.172 1.00 0.00 C ATOM 307 CG PRO A 19 12.119 24.577 16.043 1.00 0.00 C ATOM 308 CD PRO A 19 13.018 25.356 15.081 1.00 0.00 C ATOM 0 HA PRO A 19 14.921 23.841 16.801 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.484 22.525 15.449 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.711 22.817 17.162 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.113 24.447 15.644 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.018 25.081 17.004 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.588 25.354 14.079 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.091 26.397 15.394 1.00 0.00 H new ATOM 316 N SER A 20 14.808 22.039 14.158 1.00 0.00 N ATOM 317 CA SER A 20 15.370 20.894 13.466 1.00 0.00 C ATOM 318 C SER A 20 16.755 21.089 12.835 1.00 0.00 C ATOM 319 O SER A 20 17.189 20.187 12.115 1.00 0.00 O ATOM 320 CB SER A 20 14.337 20.397 12.450 1.00 0.00 C ATOM 321 OG SER A 20 14.564 19.171 11.803 1.00 0.00 O ATOM 0 H SER A 20 14.199 22.612 13.573 1.00 0.00 H new ATOM 0 HA SER A 20 15.573 20.140 14.227 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.377 20.328 12.961 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.235 21.163 11.681 1.00 0.00 H new ATOM 0 HG SER A 20 15.525 19.056 11.648 1.00 0.00 H new ATOM 327 N ASP A 21 17.374 22.222 13.132 1.00 0.00 N ATOM 328 CA ASP A 21 18.736 22.407 12.680 1.00 0.00 C ATOM 329 C ASP A 21 19.779 21.434 13.237 1.00 0.00 C ATOM 330 O ASP A 21 19.609 20.900 14.325 1.00 0.00 O ATOM 331 CB ASP A 21 19.312 23.735 13.170 1.00 0.00 C ATOM 332 CG ASP A 21 19.207 24.922 12.215 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.424 24.742 10.994 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.856 26.041 12.627 1.00 0.00 O ATOM 0 H ASP A 21 16.972 22.995 13.662 1.00 0.00 H new ATOM 0 HA ASP A 21 18.610 22.293 11.603 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.810 24.001 14.100 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.365 23.582 13.408 1.00 0.00 H new ATOM 339 N THR A 22 20.835 21.259 12.460 1.00 0.00 N ATOM 340 CA THR A 22 21.922 20.393 12.874 1.00 0.00 C ATOM 341 C THR A 22 22.970 21.252 13.592 1.00 0.00 C ATOM 342 O THR A 22 23.045 22.438 13.295 1.00 0.00 O ATOM 343 CB THR A 22 22.278 19.622 11.605 1.00 0.00 C ATOM 344 OG1 THR A 22 22.702 20.512 10.592 1.00 0.00 O ATOM 345 CG2 THR A 22 21.195 18.665 11.112 1.00 0.00 C ATOM 0 H THR A 22 20.961 21.700 11.549 1.00 0.00 H new ATOM 0 HA THR A 22 21.727 19.632 13.630 1.00 0.00 H new ATOM 0 HB THR A 22 23.107 18.967 11.874 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.929 20.005 9.785 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.537 18.163 10.207 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.987 17.922 11.882 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.286 19.226 10.894 1.00 0.00 H new ATOM 353 N ILE A 23 23.688 20.683 14.546 1.00 0.00 N ATOM 354 CA ILE A 23 24.767 21.294 15.298 1.00 0.00 C ATOM 355 C ILE A 23 25.792 22.083 14.476 1.00 0.00 C ATOM 356 O ILE A 23 26.168 23.203 14.818 1.00 0.00 O ATOM 357 CB ILE A 23 25.484 20.201 16.087 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.551 19.505 17.069 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.887 20.507 16.607 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.483 20.326 17.797 1.00 0.00 C ATOM 0 H ILE A 23 23.520 19.719 14.833 1.00 0.00 H new ATOM 0 HA ILE A 23 24.296 22.038 15.941 1.00 0.00 H new ATOM 0 HB ILE A 23 25.748 19.461 15.332 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.040 18.709 16.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.171 19.027 17.828 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.272 19.642 17.147 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.545 20.733 15.768 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.847 21.365 17.278 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.909 19.674 18.456 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.964 21.106 18.387 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.815 20.783 17.067 1.00 0.00 H new ATOM 372 N GLU A 24 26.246 21.558 13.337 1.00 0.00 N ATOM 373 CA GLU A 24 27.103 22.161 12.340 1.00 0.00 C ATOM 374 C GLU A 24 26.606 23.535 11.879 1.00 0.00 C ATOM 375 O GLU A 24 27.369 24.505 11.876 1.00 0.00 O ATOM 376 CB GLU A 24 27.306 21.176 11.185 1.00 0.00 C ATOM 377 CG GLU A 24 28.215 21.698 10.060 1.00 0.00 C ATOM 378 CD GLU A 24 28.563 20.635 9.035 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.675 19.825 8.682 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.706 20.672 8.519 1.00 0.00 O ATOM 0 H GLU A 24 25.992 20.606 13.073 1.00 0.00 H new ATOM 0 HA GLU A 24 28.074 22.363 12.793 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.731 20.253 11.580 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.333 20.924 10.763 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.721 22.530 9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.134 22.089 10.496 1.00 0.00 H new ATOM 387 N ASN A 25 25.358 23.613 11.437 1.00 0.00 N ATOM 388 CA ASN A 25 24.805 24.801 10.818 1.00 0.00 C ATOM 389 C ASN A 25 24.763 25.984 11.791 1.00 0.00 C ATOM 390 O ASN A 25 24.865 27.151 11.427 1.00 0.00 O ATOM 391 CB ASN A 25 23.370 24.456 10.418 1.00 0.00 C ATOM 392 CG ASN A 25 22.759 25.249 9.272 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.330 26.384 9.488 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.634 24.626 8.100 1.00 0.00 N ATOM 0 H ASN A 25 24.696 22.840 11.501 1.00 0.00 H new ATOM 0 HA ASN A 25 25.424 25.091 9.969 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.338 23.399 10.153 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.735 24.584 11.294 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.163 25.090 7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.010 23.685 7.980 1.00 0.00 H new ATOM 401 N VAL A 26 24.607 25.702 13.076 1.00 0.00 N ATOM 402 CA VAL A 26 24.737 26.613 14.196 1.00 0.00 C ATOM 403 C VAL A 26 26.208 26.994 14.386 1.00 0.00 C ATOM 404 O VAL A 26 26.541 28.154 14.617 1.00 0.00 O ATOM 405 CB VAL A 26 24.249 26.030 15.522 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.364 27.120 16.587 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.810 25.549 15.406 1.00 0.00 C ATOM 0 H VAL A 26 24.368 24.759 13.382 1.00 0.00 H new ATOM 0 HA VAL A 26 24.114 27.473 13.949 1.00 0.00 H new ATOM 0 HB VAL A 26 24.859 25.169 15.795 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.021 26.730 17.545 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.404 27.435 16.674 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.749 27.974 16.302 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.485 25.138 16.362 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.167 26.386 15.134 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.745 24.777 14.639 1.00 0.00 H new ATOM 417 N LYS A 27 27.213 26.135 14.259 1.00 0.00 N ATOM 418 CA LYS A 27 28.624 26.349 14.533 1.00 0.00 C ATOM 419 C LYS A 27 29.245 27.309 13.525 1.00 0.00 C ATOM 420 O LYS A 27 30.134 28.096 13.838 1.00 0.00 O ATOM 421 CB LYS A 27 29.409 25.035 14.466 1.00 0.00 C ATOM 422 CG LYS A 27 29.288 24.032 15.616 1.00 0.00 C ATOM 423 CD LYS A 27 30.363 22.948 15.577 1.00 0.00 C ATOM 424 CE LYS A 27 30.328 21.985 16.778 1.00 0.00 C ATOM 425 NZ LYS A 27 31.546 21.178 16.904 1.00 0.00 N ATOM 0 H LYS A 27 27.042 25.184 13.931 1.00 0.00 H new ATOM 0 HA LYS A 27 28.681 26.770 15.537 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.112 24.522 13.551 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.464 25.288 14.362 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.352 24.565 16.564 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.305 23.563 15.580 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.249 22.371 14.659 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.343 23.424 15.535 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.184 22.560 17.693 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.469 21.322 16.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.309 20.172 16.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.226 21.459 16.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.968 21.330 17.843 1.00 0.00 H new ATOM 439 N ALA A 28 28.648 27.297 12.347 1.00 0.00 N ATOM 440 CA ALA A 28 29.020 28.264 11.330 1.00 0.00 C ATOM 441 C ALA A 28 28.533 29.679 11.659 1.00 0.00 C ATOM 442 O ALA A 28 29.160 30.678 11.339 1.00 0.00 O ATOM 443 CB ALA A 28 28.471 27.756 9.994 1.00 0.00 C ATOM 0 H ALA A 28 27.916 26.641 12.073 1.00 0.00 H new ATOM 0 HA ALA A 28 30.105 28.351 11.280 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.732 28.459 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.904 26.781 9.770 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.387 27.666 10.057 1.00 0.00 H new ATOM 449 N LYS A 29 27.389 29.740 12.340 1.00 0.00 N ATOM 450 CA LYS A 29 26.750 30.981 12.719 1.00 0.00 C ATOM 451 C LYS A 29 27.589 31.517 13.885 1.00 0.00 C ATOM 452 O LYS A 29 27.897 32.708 13.887 1.00 0.00 O ATOM 453 CB LYS A 29 25.302 30.883 13.202 1.00 0.00 C ATOM 454 CG LYS A 29 24.425 30.524 11.996 1.00 0.00 C ATOM 455 CD LYS A 29 22.973 30.395 12.451 1.00 0.00 C ATOM 456 CE LYS A 29 22.102 30.189 11.215 1.00 0.00 C ATOM 457 NZ LYS A 29 20.738 29.697 11.496 1.00 0.00 N ATOM 0 H LYS A 29 26.879 28.911 12.644 1.00 0.00 H new ATOM 0 HA LYS A 29 26.704 31.607 11.828 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.210 30.125 13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.981 31.829 13.639 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.511 31.292 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.764 29.588 11.551 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.863 29.556 13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.663 31.290 12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.029 31.134 10.677 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.599 29.482 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.113 29.932 10.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.761 28.665 11.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.378 30.147 12.362 1.00 0.00 H new ATOM 471 N ILE A 30 28.036 30.680 14.817 1.00 0.00 N ATOM 472 CA ILE A 30 28.905 31.141 15.871 1.00 0.00 C ATOM 473 C ILE A 30 30.266 31.627 15.357 1.00 0.00 C ATOM 474 O ILE A 30 30.777 32.640 15.839 1.00 0.00 O ATOM 475 CB ILE A 30 29.000 30.001 16.892 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.648 29.799 17.570 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.062 30.284 17.949 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.388 28.502 18.324 1.00 0.00 C ATOM 0 H ILE A 30 27.807 29.687 14.856 1.00 0.00 H new ATOM 0 HA ILE A 30 28.492 32.030 16.348 1.00 0.00 H new ATOM 0 HB ILE A 30 29.286 29.096 16.356 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.505 30.622 18.271 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.878 29.895 16.804 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.102 29.455 18.656 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.033 30.397 17.468 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.811 31.202 18.480 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.383 28.521 18.744 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.479 27.659 17.640 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.116 28.397 19.129 1.00 0.00 H new ATOM 490 N GLN A 31 30.728 31.069 14.241 1.00 0.00 N ATOM 491 CA GLN A 31 31.886 31.458 13.469 1.00 0.00 C ATOM 492 C GLN A 31 31.776 32.865 12.893 1.00 0.00 C ATOM 493 O GLN A 31 32.692 33.687 12.864 1.00 0.00 O ATOM 494 CB GLN A 31 32.236 30.414 12.402 1.00 0.00 C ATOM 495 CG GLN A 31 33.522 30.789 11.661 1.00 0.00 C ATOM 496 CD GLN A 31 34.021 29.626 10.818 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.597 28.468 10.868 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.946 29.921 9.905 1.00 0.00 N ATOM 0 H GLN A 31 30.256 30.266 13.826 1.00 0.00 H new ATOM 0 HA GLN A 31 32.722 31.493 14.168 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.355 29.437 12.871 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.415 30.328 11.690 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.340 31.654 11.023 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.289 31.078 12.379 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.315 30.870 9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.285 29.198 9.271 1.00 0.00 H new ATOM 507 N ASP A 32 30.603 33.179 12.334 1.00 0.00 N ATOM 508 CA ASP A 32 30.320 34.424 11.651 1.00 0.00 C ATOM 509 C ASP A 32 30.188 35.611 12.600 1.00 0.00 C ATOM 510 O ASP A 32 30.354 36.769 12.216 1.00 0.00 O ATOM 511 CB ASP A 32 29.043 34.106 10.868 1.00 0.00 C ATOM 512 CG ASP A 32 28.254 35.335 10.464 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.858 36.108 9.679 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.067 35.451 10.819 1.00 0.00 O ATOM 0 H ASP A 32 29.804 32.545 12.351 1.00 0.00 H new ATOM 0 HA ASP A 32 31.131 34.748 10.999 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.307 33.544 9.972 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.407 33.460 11.474 1.00 0.00 H new ATOM 519 N LYS A 33 30.005 35.305 13.882 1.00 0.00 N ATOM 520 CA LYS A 33 29.706 36.282 14.911 1.00 0.00 C ATOM 521 C LYS A 33 30.982 36.404 15.749 1.00 0.00 C ATOM 522 O LYS A 33 31.486 37.504 15.930 1.00 0.00 O ATOM 523 CB LYS A 33 28.630 35.782 15.877 1.00 0.00 C ATOM 524 CG LYS A 33 27.234 36.322 15.570 1.00 0.00 C ATOM 525 CD LYS A 33 26.576 35.794 14.289 1.00 0.00 C ATOM 526 CE LYS A 33 25.647 36.882 13.742 1.00 0.00 C ATOM 527 NZ LYS A 33 25.258 36.577 12.354 1.00 0.00 N ATOM 0 H LYS A 33 30.063 34.350 14.236 1.00 0.00 H new ATOM 0 HA LYS A 33 29.369 37.206 14.441 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.604 34.693 15.847 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.905 36.066 16.893 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.582 36.089 16.412 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.293 37.408 15.504 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.335 35.536 13.551 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.013 34.884 14.498 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.757 36.957 14.367 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.147 37.850 13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.188 37.461 11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.974 35.960 11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.337 36.094 12.350 1.00 0.00 H new ATOM 541 N GLU A 34 31.549 35.324 16.271 1.00 0.00 N ATOM 542 CA GLU A 34 32.676 35.408 17.180 1.00 0.00 C ATOM 543 C GLU A 34 33.960 34.831 16.568 1.00 0.00 C ATOM 544 O GLU A 34 34.962 34.974 17.261 1.00 0.00 O ATOM 545 CB GLU A 34 32.309 34.538 18.383 1.00 0.00 C ATOM 546 CG GLU A 34 31.204 35.104 19.277 1.00 0.00 C ATOM 547 CD GLU A 34 31.745 36.234 20.140 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.822 36.146 20.760 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.082 37.296 20.194 1.00 0.00 O ATOM 0 H GLU A 34 31.240 34.372 16.075 1.00 0.00 H new ATOM 0 HA GLU A 34 32.864 36.452 17.429 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.997 33.558 18.022 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.203 34.385 18.988 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.382 35.470 18.662 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.801 34.315 19.911 1.00 0.00 H new ATOM 556 N GLY A 35 33.974 34.159 15.422 1.00 0.00 N ATOM 557 CA GLY A 35 35.140 33.543 14.825 1.00 0.00 C ATOM 558 C GLY A 35 35.632 32.315 15.600 1.00 0.00 C ATOM 559 O GLY A 35 36.851 32.159 15.607 1.00 0.00 O ATOM 0 H GLY A 35 33.131 34.026 14.863 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.905 33.250 13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.944 34.277 14.770 1.00 0.00 H new ATOM 563 N ILE A 36 34.789 31.436 16.142 1.00 0.00 N ATOM 564 CA ILE A 36 35.242 30.248 16.847 1.00 0.00 C ATOM 565 C ILE A 36 35.174 29.165 15.768 1.00 0.00 C ATOM 566 O ILE A 36 34.052 28.806 15.418 1.00 0.00 O ATOM 567 CB ILE A 36 34.388 29.994 18.082 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.421 31.137 19.100 1.00 0.00 C ATOM 569 CG2 ILE A 36 34.700 28.669 18.775 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.236 31.187 20.059 1.00 0.00 C ATOM 0 H ILE A 36 33.774 31.532 16.102 1.00 0.00 H new ATOM 0 HA ILE A 36 36.248 30.311 17.263 1.00 0.00 H new ATOM 0 HB ILE A 36 33.374 29.935 17.686 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.338 31.055 19.684 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.471 32.082 18.560 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.055 28.553 19.646 1.00 0.00 H new ATOM 0 HG22 ILE A 36 34.525 27.846 18.082 1.00 0.00 H new ATOM 0 HG23 ILE A 36 35.743 28.661 19.092 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.353 32.031 20.739 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.313 31.304 19.491 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.193 30.262 20.633 1.00 0.00 H new ATOM 582 N PRO A 37 36.264 28.533 15.334 1.00 0.00 N ATOM 583 CA PRO A 37 36.188 27.527 14.300 1.00 0.00 C ATOM 584 C PRO A 37 35.501 26.202 14.624 1.00 0.00 C ATOM 585 O PRO A 37 35.496 25.822 15.798 1.00 0.00 O ATOM 586 CB PRO A 37 37.645 27.385 13.866 1.00 0.00 C ATOM 587 CG PRO A 37 38.438 27.428 15.173 1.00 0.00 C ATOM 588 CD PRO A 37 37.624 28.549 15.827 1.00 0.00 C ATOM 0 HA PRO A 37 35.507 27.850 13.513 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.811 26.450 13.331 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.940 28.192 13.196 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.407 26.491 15.728 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.489 27.682 15.033 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.627 28.426 16.910 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.084 29.514 15.614 1.00 0.00 H new ATOM 596 N PRO A 38 34.794 25.492 13.755 1.00 0.00 N ATOM 597 CA PRO A 38 33.812 24.480 14.103 1.00 0.00 C ATOM 598 C PRO A 38 34.300 23.154 14.691 1.00 0.00 C ATOM 599 O PRO A 38 33.455 22.654 15.418 1.00 0.00 O ATOM 600 CB PRO A 38 32.878 24.303 12.906 1.00 0.00 C ATOM 601 CG PRO A 38 33.854 24.472 11.746 1.00 0.00 C ATOM 602 CD PRO A 38 34.788 25.545 12.310 1.00 0.00 C ATOM 0 HA PRO A 38 33.287 24.870 14.975 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.396 23.325 12.900 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.084 25.050 12.889 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.381 23.547 11.512 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.357 24.796 10.832 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.798 25.395 11.929 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.465 26.531 11.976 1.00 0.00 H new ATOM 610 N ASP A 39 35.533 22.688 14.540 1.00 0.00 N ATOM 611 CA ASP A 39 35.922 21.410 15.109 1.00 0.00 C ATOM 612 C ASP A 39 36.497 21.601 16.514 1.00 0.00 C ATOM 613 O ASP A 39 36.326 20.696 17.324 1.00 0.00 O ATOM 614 CB ASP A 39 36.953 20.730 14.213 1.00 0.00 C ATOM 615 CG ASP A 39 37.416 19.367 14.708 1.00 0.00 C ATOM 616 OD1 ASP A 39 36.584 18.426 14.668 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.626 19.190 14.969 1.00 0.00 O ATOM 0 H ASP A 39 36.273 23.173 14.033 1.00 0.00 H new ATOM 0 HA ASP A 39 35.037 20.778 15.178 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.530 20.616 13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.821 21.383 14.119 1.00 0.00 H new ATOM 622 N GLN A 40 37.149 22.716 16.838 1.00 0.00 N ATOM 623 CA GLN A 40 37.706 23.043 18.138 1.00 0.00 C ATOM 624 C GLN A 40 36.499 23.316 19.037 1.00 0.00 C ATOM 625 O GLN A 40 36.569 23.030 20.225 1.00 0.00 O ATOM 626 CB GLN A 40 38.592 24.290 18.113 1.00 0.00 C ATOM 627 CG GLN A 40 39.915 24.186 17.362 1.00 0.00 C ATOM 628 CD GLN A 40 40.919 23.462 18.240 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.277 23.922 19.327 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.593 22.445 17.708 1.00 0.00 N ATOM 0 H GLN A 40 37.309 23.456 16.155 1.00 0.00 H new ATOM 0 HA GLN A 40 38.338 22.225 18.483 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.017 25.105 17.674 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.809 24.572 19.143 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.776 23.648 16.425 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.284 25.180 17.107 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.305 22.057 16.810 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.397 22.054 18.199 1.00 0.00 H new ATOM 639 N GLN A 41 35.431 23.935 18.542 1.00 0.00 N ATOM 640 CA GLN A 41 34.212 24.248 19.264 1.00 0.00 C ATOM 641 C GLN A 41 33.395 23.058 19.772 1.00 0.00 C ATOM 642 O GLN A 41 33.067 22.293 18.874 1.00 0.00 O ATOM 643 CB GLN A 41 33.414 25.056 18.250 1.00 0.00 C ATOM 644 CG GLN A 41 31.974 25.410 18.620 1.00 0.00 C ATOM 645 CD GLN A 41 31.369 26.544 17.795 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.335 27.085 18.184 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.875 26.688 16.574 1.00 0.00 N ATOM 0 H GLN A 41 35.396 24.247 17.572 1.00 0.00 H new ATOM 0 HA GLN A 41 34.455 24.765 20.193 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.952 25.984 18.059 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.395 24.499 17.313 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.353 24.522 18.503 1.00 0.00 H new ATOM 0 HG3 GLN A 41 31.940 25.686 19.674 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.738 26.208 16.320 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.400 27.278 15.891 1.00 0.00 H new ATOM 656 N ARG A 42 33.047 22.913 21.048 1.00 0.00 N ATOM 657 CA ARG A 42 32.216 21.875 21.634 1.00 0.00 C ATOM 658 C ARG A 42 31.116 22.531 22.461 1.00 0.00 C ATOM 659 O ARG A 42 31.421 23.222 23.432 1.00 0.00 O ATOM 660 CB ARG A 42 32.982 20.733 22.302 1.00 0.00 C ATOM 661 CG ARG A 42 32.102 19.559 22.708 1.00 0.00 C ATOM 662 CD ARG A 42 32.996 18.428 23.213 1.00 0.00 C ATOM 663 NE ARG A 42 33.532 17.621 22.117 1.00 0.00 N ATOM 664 CZ ARG A 42 34.801 17.409 21.750 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.793 17.900 22.507 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.149 16.953 20.539 1.00 0.00 N ATOM 0 H ARG A 42 33.368 23.576 21.754 1.00 0.00 H new ATOM 0 HA ARG A 42 31.727 21.322 20.832 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.754 20.378 21.620 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.490 21.117 23.186 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.402 19.863 23.486 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.508 19.221 21.859 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.820 18.848 23.791 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.426 17.790 23.888 1.00 0.00 H new ATOM 0 HE ARG A 42 32.832 17.148 21.546 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.576 18.428 23.352 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.765 17.745 22.238 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.430 16.750 19.845 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.133 16.809 20.312 1.00 0.00 H new ATOM 680 N LEU A 43 29.847 22.267 22.141 1.00 0.00 N ATOM 681 CA LEU A 43 28.649 22.778 22.761 1.00 0.00 C ATOM 682 C LEU A 43 28.172 21.736 23.777 1.00 0.00 C ATOM 683 O LEU A 43 27.944 20.565 23.472 1.00 0.00 O ATOM 684 CB LEU A 43 27.632 23.000 21.644 1.00 0.00 C ATOM 685 CG LEU A 43 27.732 24.300 20.844 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.685 25.555 21.710 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.937 24.370 19.900 1.00 0.00 C ATOM 0 H LEU A 43 29.626 21.634 21.373 1.00 0.00 H new ATOM 0 HA LEU A 43 28.805 23.719 23.288 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.714 22.168 20.945 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.635 22.951 22.082 1.00 0.00 H new ATOM 0 HG LEU A 43 26.834 24.276 20.227 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.761 26.438 21.075 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.744 25.583 22.259 1.00 0.00 H new ATOM 0 HD13 LEU A 43 28.516 25.542 22.415 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.931 25.324 19.373 1.00 0.00 H new ATOM 0 HD22 LEU A 43 29.857 24.280 20.477 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.881 23.556 19.178 1.00 0.00 H new ATOM 699 N ILE A 44 27.852 22.215 24.981 1.00 0.00 N ATOM 700 CA ILE A 44 27.145 21.509 26.039 1.00 0.00 C ATOM 701 C ILE A 44 25.844 22.240 26.393 1.00 0.00 C ATOM 702 O ILE A 44 25.741 23.424 26.088 1.00 0.00 O ATOM 703 CB ILE A 44 28.120 21.352 27.196 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.485 20.900 26.679 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.657 20.274 28.197 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.483 20.474 27.758 1.00 0.00 C ATOM 0 H ILE A 44 28.097 23.166 25.255 1.00 0.00 H new ATOM 0 HA ILE A 44 26.822 20.514 25.733 1.00 0.00 H new ATOM 0 HB ILE A 44 28.172 22.324 27.686 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.338 20.066 25.993 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.924 21.713 26.101 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.382 20.194 29.007 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.685 20.550 28.606 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.576 19.314 27.687 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.419 20.172 27.289 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.669 21.310 28.432 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.073 19.637 28.323 1.00 0.00 H new ATOM 718 N PHE A 45 24.886 21.583 27.044 1.00 0.00 N ATOM 719 CA PHE A 45 23.647 22.093 27.596 1.00 0.00 C ATOM 720 C PHE A 45 23.380 20.972 28.610 1.00 0.00 C ATOM 721 O PHE A 45 23.427 19.784 28.268 1.00 0.00 O ATOM 722 CB PHE A 45 22.544 22.416 26.590 1.00 0.00 C ATOM 723 CG PHE A 45 21.153 22.575 27.154 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.328 21.474 27.421 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.590 23.856 27.167 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.026 21.668 27.895 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.269 24.033 27.599 1.00 0.00 C ATOM 728 CZ PHE A 45 18.483 22.958 28.042 1.00 0.00 C ATOM 0 H PHE A 45 24.974 20.581 27.211 1.00 0.00 H new ATOM 0 HA PHE A 45 23.694 23.092 28.031 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.811 23.337 26.073 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.521 21.625 25.841 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.699 20.472 27.260 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.173 24.706 26.845 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.425 20.809 28.154 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.843 25.025 27.591 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.506 23.114 28.476 1.00 0.00 H new ATOM 738 N ALA A 46 23.132 21.327 29.865 1.00 0.00 N ATOM 739 CA ALA A 46 22.518 20.523 30.904 1.00 0.00 C ATOM 740 C ALA A 46 23.306 19.250 31.240 1.00 0.00 C ATOM 741 O ALA A 46 22.739 18.293 31.770 1.00 0.00 O ATOM 742 CB ALA A 46 21.088 20.216 30.471 1.00 0.00 C ATOM 0 H ALA A 46 23.376 22.258 30.204 1.00 0.00 H new ATOM 0 HA ALA A 46 22.519 21.090 31.835 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.599 19.611 31.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.539 21.149 30.340 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.103 19.669 29.528 1.00 0.00 H new ATOM 748 N GLY A 47 24.606 19.240 30.955 1.00 0.00 N ATOM 749 CA GLY A 47 25.447 18.108 31.269 1.00 0.00 C ATOM 750 C GLY A 47 25.717 17.237 30.035 1.00 0.00 C ATOM 751 O GLY A 47 26.124 16.087 30.162 1.00 0.00 O ATOM 0 H GLY A 47 25.094 20.013 30.504 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.393 18.461 31.678 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.971 17.505 32.042 1.00 0.00 H new ATOM 755 N LYS A 48 25.162 17.630 28.896 1.00 0.00 N ATOM 756 CA LYS A 48 25.111 16.779 27.722 1.00 0.00 C ATOM 757 C LYS A 48 25.848 17.526 26.615 1.00 0.00 C ATOM 758 O LYS A 48 25.503 18.688 26.396 1.00 0.00 O ATOM 759 CB LYS A 48 23.628 16.574 27.396 1.00 0.00 C ATOM 760 CG LYS A 48 22.745 15.919 28.464 1.00 0.00 C ATOM 761 CD LYS A 48 21.224 15.989 28.304 1.00 0.00 C ATOM 762 CE LYS A 48 20.607 14.975 29.267 1.00 0.00 C ATOM 763 NZ LYS A 48 19.267 15.476 29.601 1.00 0.00 N ATOM 0 H LYS A 48 24.736 18.547 28.763 1.00 0.00 H new ATOM 0 HA LYS A 48 25.577 15.803 27.856 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.200 17.548 27.159 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.564 15.969 26.492 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.023 14.867 28.523 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.998 16.370 29.424 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.862 16.994 28.523 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.937 15.764 27.277 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.548 13.989 28.806 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.217 14.872 30.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.804 14.816 30.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.348 16.411 30.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.700 15.556 28.733 1.00 0.00 H new ATOM 777 N GLN A 49 26.795 16.897 25.925 1.00 0.00 N ATOM 778 CA GLN A 49 27.326 17.428 24.690 1.00 0.00 C ATOM 779 C GLN A 49 26.360 17.375 23.510 1.00 0.00 C ATOM 780 O GLN A 49 25.632 16.401 23.367 1.00 0.00 O ATOM 781 CB GLN A 49 28.565 16.620 24.271 1.00 0.00 C ATOM 782 CG GLN A 49 29.340 17.083 23.039 1.00 0.00 C ATOM 783 CD GLN A 49 30.351 16.056 22.550 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.181 16.443 21.727 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.454 14.892 23.188 1.00 0.00 N ATOM 0 H GLN A 49 27.209 16.010 26.211 1.00 0.00 H new ATOM 0 HA GLN A 49 27.545 18.474 24.906 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.256 16.606 25.114 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.250 15.591 24.100 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.637 17.303 22.236 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.859 18.013 23.272 1.00 0.00 H new ATOM 0 HE21 GLN A 49 29.740 14.615 23.862 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.247 14.277 23.003 1.00 0.00 H new ATOM 794 N LEU A 50 26.509 18.303 22.563 1.00 0.00 N ATOM 795 CA LEU A 50 25.686 18.417 21.372 1.00 0.00 C ATOM 796 C LEU A 50 26.590 17.778 20.310 1.00 0.00 C ATOM 797 O LEU A 50 27.532 18.457 19.909 1.00 0.00 O ATOM 798 CB LEU A 50 25.319 19.875 21.148 1.00 0.00 C ATOM 799 CG LEU A 50 24.117 20.423 21.906 1.00 0.00 C ATOM 800 CD1 LEU A 50 22.716 19.844 21.660 1.00 0.00 C ATOM 801 CD2 LEU A 50 24.318 20.359 23.423 1.00 0.00 C ATOM 0 H LEU A 50 27.234 19.019 22.612 1.00 0.00 H new ATOM 0 HA LEU A 50 24.714 17.924 21.393 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.186 20.483 21.407 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.137 20.016 20.083 1.00 0.00 H new ATOM 0 HG LEU A 50 24.106 21.425 21.478 1.00 0.00 H new ATOM 0 HD11 LEU A 50 21.993 20.361 22.290 1.00 0.00 H new ATOM 0 HD12 LEU A 50 22.446 19.978 20.613 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.714 18.781 21.902 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.437 20.760 23.924 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.468 19.323 23.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.192 20.949 23.699 1.00 0.00 H new ATOM 813 N GLU A 51 26.182 16.640 19.762 1.00 0.00 N ATOM 814 CA GLU A 51 26.973 15.840 18.847 1.00 0.00 C ATOM 815 C GLU A 51 26.487 16.112 17.423 1.00 0.00 C ATOM 816 O GLU A 51 25.296 16.242 17.158 1.00 0.00 O ATOM 817 CB GLU A 51 26.858 14.342 19.121 1.00 0.00 C ATOM 818 CG GLU A 51 28.011 13.612 18.409 1.00 0.00 C ATOM 819 CD GLU A 51 28.035 12.129 18.754 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.611 11.748 19.794 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.539 11.380 17.879 1.00 0.00 O ATOM 0 H GLU A 51 25.263 16.240 19.951 1.00 0.00 H new ATOM 0 HA GLU A 51 28.018 16.120 18.982 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.897 14.151 20.193 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.898 13.967 18.765 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.908 13.733 17.331 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.960 14.067 18.692 1.00 0.00 H new ATOM 828 N ASP A 52 27.375 16.228 16.436 1.00 0.00 N ATOM 829 CA ASP A 52 27.158 16.247 15.001 1.00 0.00 C ATOM 830 C ASP A 52 25.945 15.482 14.473 1.00 0.00 C ATOM 831 O ASP A 52 25.881 14.269 14.663 1.00 0.00 O ATOM 832 CB ASP A 52 28.469 15.868 14.308 1.00 0.00 C ATOM 833 CG ASP A 52 28.458 16.056 12.801 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.031 17.174 12.441 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.018 15.211 12.057 1.00 0.00 O ATOM 0 H ASP A 52 28.368 16.320 16.652 1.00 0.00 H new ATOM 0 HA ASP A 52 26.873 17.268 14.746 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.276 16.467 14.731 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.695 14.825 14.530 1.00 0.00 H new ATOM 840 N GLY A 53 25.105 16.110 13.648 1.00 0.00 N ATOM 841 CA GLY A 53 24.199 15.394 12.768 1.00 0.00 C ATOM 842 C GLY A 53 22.832 15.206 13.423 1.00 0.00 C ATOM 843 O GLY A 53 21.894 14.724 12.795 1.00 0.00 O ATOM 0 H GLY A 53 25.039 17.125 13.576 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.086 15.943 11.833 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.623 14.421 12.518 1.00 0.00 H new ATOM 847 N ARG A 54 22.759 15.493 14.719 1.00 0.00 N ATOM 848 CA ARG A 54 21.584 15.360 15.572 1.00 0.00 C ATOM 849 C ARG A 54 21.035 16.778 15.779 1.00 0.00 C ATOM 850 O ARG A 54 21.676 17.785 15.511 1.00 0.00 O ATOM 851 CB ARG A 54 21.923 14.627 16.865 1.00 0.00 C ATOM 852 CG ARG A 54 22.395 13.179 16.688 1.00 0.00 C ATOM 853 CD ARG A 54 22.538 12.260 17.903 1.00 0.00 C ATOM 854 NE ARG A 54 21.902 10.949 17.789 1.00 0.00 N ATOM 855 CZ ARG A 54 20.615 10.675 18.035 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.807 11.613 18.542 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.198 9.407 17.931 1.00 0.00 N ATOM 0 H ARG A 54 23.567 15.846 15.232 1.00 0.00 H new ATOM 0 HA ARG A 54 20.811 14.744 15.113 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.700 15.185 17.387 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.042 14.630 17.507 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.703 12.696 15.998 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.366 13.214 16.194 1.00 0.00 H new ATOM 0 HD2 ARG A 54 23.600 12.112 18.099 1.00 0.00 H new ATOM 0 HD3 ARG A 54 22.122 12.770 18.772 1.00 0.00 H new ATOM 0 HE ARG A 54 22.493 10.171 17.495 1.00 0.00 H new ATOM 0 HH11 ARG A 54 20.170 12.544 18.744 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.827 11.397 18.727 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.857 8.673 17.669 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.222 9.175 18.114 1.00 0.00 H new ATOM 871 N THR A 55 19.749 16.890 16.089 1.00 0.00 N ATOM 872 CA THR A 55 18.919 18.078 16.037 1.00 0.00 C ATOM 873 C THR A 55 18.454 18.623 17.386 1.00 0.00 C ATOM 874 O THR A 55 18.252 17.897 18.361 1.00 0.00 O ATOM 875 CB THR A 55 17.752 17.787 15.086 1.00 0.00 C ATOM 876 OG1 THR A 55 17.012 16.677 15.519 1.00 0.00 O ATOM 877 CG2 THR A 55 18.018 17.544 13.603 1.00 0.00 C ATOM 0 H THR A 55 19.219 16.080 16.410 1.00 0.00 H new ATOM 0 HA THR A 55 19.537 18.895 15.663 1.00 0.00 H new ATOM 0 HB THR A 55 17.238 18.747 15.140 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.273 16.514 14.897 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.075 17.355 13.090 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.497 18.423 13.170 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.673 16.680 13.488 1.00 0.00 H new ATOM 885 N LEU A 56 18.284 19.938 17.376 1.00 0.00 N ATOM 886 CA LEU A 56 18.160 20.715 18.588 1.00 0.00 C ATOM 887 C LEU A 56 16.965 20.340 19.476 1.00 0.00 C ATOM 888 O LEU A 56 17.086 20.175 20.683 1.00 0.00 O ATOM 889 CB LEU A 56 18.086 22.202 18.235 1.00 0.00 C ATOM 890 CG LEU A 56 19.103 22.854 17.300 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.664 24.316 17.187 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.546 22.712 17.788 1.00 0.00 C ATOM 0 H LEU A 56 18.229 20.492 16.521 1.00 0.00 H new ATOM 0 HA LEU A 56 19.049 20.487 19.177 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.101 22.376 17.802 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.122 22.753 19.175 1.00 0.00 H new ATOM 0 HG LEU A 56 19.114 22.360 16.328 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.348 24.852 16.529 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.655 24.362 16.777 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.675 24.777 18.175 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.219 23.196 17.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.648 23.184 18.765 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.801 21.655 17.867 1.00 0.00 H new ATOM 904 N SER A 57 15.817 20.197 18.831 1.00 0.00 N ATOM 905 CA SER A 57 14.558 20.031 19.511 1.00 0.00 C ATOM 906 C SER A 57 14.456 18.600 20.056 1.00 0.00 C ATOM 907 O SER A 57 13.927 18.365 21.148 1.00 0.00 O ATOM 908 CB SER A 57 13.326 20.228 18.626 1.00 0.00 C ATOM 909 OG SER A 57 12.150 20.114 19.396 1.00 0.00 O ATOM 0 H SER A 57 15.741 20.194 17.814 1.00 0.00 H new ATOM 0 HA SER A 57 14.556 20.798 20.286 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.364 21.208 18.150 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.320 19.486 17.828 1.00 0.00 H new ATOM 0 HG SER A 57 11.368 20.243 18.820 1.00 0.00 H new ATOM 915 N ASP A 58 15.038 17.657 19.332 1.00 0.00 N ATOM 916 CA ASP A 58 15.341 16.293 19.711 1.00 0.00 C ATOM 917 C ASP A 58 16.299 16.047 20.882 1.00 0.00 C ATOM 918 O ASP A 58 15.957 15.104 21.588 1.00 0.00 O ATOM 919 CB ASP A 58 15.867 15.610 18.453 1.00 0.00 C ATOM 920 CG ASP A 58 16.225 14.128 18.515 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.364 13.232 18.649 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.426 13.788 18.451 1.00 0.00 O ATOM 0 H ASP A 58 15.336 17.849 18.376 1.00 0.00 H new ATOM 0 HA ASP A 58 14.411 15.885 20.106 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.118 15.736 17.672 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.757 16.151 18.131 1.00 0.00 H new ATOM 927 N TYR A 59 17.281 16.921 21.102 1.00 0.00 N ATOM 928 CA TYR A 59 18.083 17.042 22.303 1.00 0.00 C ATOM 929 C TYR A 59 17.306 17.668 23.466 1.00 0.00 C ATOM 930 O TYR A 59 17.610 17.617 24.654 1.00 0.00 O ATOM 931 CB TYR A 59 19.332 17.844 21.962 1.00 0.00 C ATOM 932 CG TYR A 59 20.506 16.914 21.724 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.094 16.122 22.705 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.146 16.957 20.481 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.258 15.361 22.484 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.339 16.270 20.208 1.00 0.00 C ATOM 937 CZ TYR A 59 22.828 15.434 21.207 1.00 0.00 C ATOM 938 OH TYR A 59 23.953 14.685 20.989 1.00 0.00 O ATOM 0 H TYR A 59 17.549 17.605 20.394 1.00 0.00 H new ATOM 0 HA TYR A 59 18.364 16.046 22.646 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.153 18.449 21.073 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.564 18.532 22.775 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.636 16.089 23.683 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.701 17.547 19.694 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.691 14.750 23.262 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.854 16.385 19.266 1.00 0.00 H new ATOM 0 HH TYR A 59 24.018 14.461 20.037 1.00 0.00 H new ATOM 948 N ASN A 60 16.237 18.408 23.166 1.00 0.00 N ATOM 949 CA ASN A 60 15.222 19.080 23.954 1.00 0.00 C ATOM 950 C ASN A 60 15.720 20.497 24.253 1.00 0.00 C ATOM 951 O ASN A 60 15.682 20.936 25.402 1.00 0.00 O ATOM 952 CB ASN A 60 14.844 18.267 25.193 1.00 0.00 C ATOM 953 CG ASN A 60 13.450 18.683 25.636 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.515 18.612 24.858 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.251 19.159 26.869 1.00 0.00 N ATOM 0 H ASN A 60 16.040 18.571 22.179 1.00 0.00 H new ATOM 0 HA ASN A 60 14.288 19.164 23.399 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.868 17.201 24.968 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.563 18.440 25.994 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.320 19.461 27.155 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.031 19.220 27.524 1.00 0.00 H new ATOM 962 N ILE A 61 16.274 21.259 23.309 1.00 0.00 N ATOM 963 CA ILE A 61 16.654 22.652 23.399 1.00 0.00 C ATOM 964 C ILE A 61 15.341 23.422 23.220 1.00 0.00 C ATOM 965 O ILE A 61 14.480 22.875 22.528 1.00 0.00 O ATOM 966 CB ILE A 61 17.699 23.023 22.346 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.090 22.396 22.486 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.960 24.476 21.946 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.647 22.530 23.901 1.00 0.00 C ATOM 0 H ILE A 61 16.482 20.876 22.387 1.00 0.00 H new ATOM 0 HA ILE A 61 17.132 22.891 24.349 1.00 0.00 H new ATOM 0 HB ILE A 61 17.098 22.570 21.558 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.039 21.341 22.216 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.773 22.872 21.783 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.740 24.509 21.185 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.045 24.914 21.547 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.282 25.042 22.820 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.634 22.070 23.948 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.725 23.585 24.163 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.980 22.030 24.603 1.00 0.00 H new ATOM 981 N GLN A 62 15.106 24.566 23.851 1.00 0.00 N ATOM 982 CA GLN A 62 13.860 25.285 23.626 1.00 0.00 C ATOM 983 C GLN A 62 14.234 26.752 23.385 1.00 0.00 C ATOM 984 O GLN A 62 15.418 27.061 23.302 1.00 0.00 O ATOM 985 CB GLN A 62 12.931 25.166 24.841 1.00 0.00 C ATOM 986 CG GLN A 62 13.569 25.338 26.215 1.00 0.00 C ATOM 987 CD GLN A 62 12.622 25.089 27.385 1.00 0.00 C ATOM 988 OE1 GLN A 62 12.942 25.437 28.515 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.459 24.456 27.262 1.00 0.00 N ATOM 0 H GLN A 62 15.748 25.008 24.509 1.00 0.00 H new ATOM 0 HA GLN A 62 13.326 24.868 22.772 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.141 25.910 24.738 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.453 24.187 24.809 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.415 24.656 26.297 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.966 26.350 26.294 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.143 24.144 26.344 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.883 24.283 28.086 1.00 0.00 H new ATOM 998 N LYS A 63 13.228 27.591 23.188 1.00 0.00 N ATOM 999 CA LYS A 63 13.221 28.984 22.782 1.00 0.00 C ATOM 1000 C LYS A 63 13.708 29.848 23.951 1.00 0.00 C ATOM 1001 O LYS A 63 13.237 29.816 25.087 1.00 0.00 O ATOM 1002 CB LYS A 63 11.778 29.296 22.383 1.00 0.00 C ATOM 1003 CG LYS A 63 11.573 30.676 21.764 1.00 0.00 C ATOM 1004 CD LYS A 63 10.233 31.354 22.075 1.00 0.00 C ATOM 1005 CE LYS A 63 10.318 32.860 21.806 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.128 33.513 22.366 1.00 0.00 N ATOM 0 H LYS A 63 12.272 27.264 23.329 1.00 0.00 H new ATOM 0 HA LYS A 63 13.887 29.190 21.944 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.440 28.541 21.674 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.144 29.211 23.266 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.377 31.329 22.104 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.671 30.586 20.682 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.445 30.913 21.464 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.964 31.179 23.117 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.221 33.273 22.256 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.382 33.048 20.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.177 34.536 22.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.275 33.124 21.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.088 33.342 23.391 1.00 0.00 H new ATOM 1020 N GLU A 64 14.877 30.426 23.714 1.00 0.00 N ATOM 1021 CA GLU A 64 15.737 31.197 24.593 1.00 0.00 C ATOM 1022 C GLU A 64 16.496 30.305 25.577 1.00 0.00 C ATOM 1023 O GLU A 64 16.853 30.787 26.642 1.00 0.00 O ATOM 1024 CB GLU A 64 15.064 32.394 25.274 1.00 0.00 C ATOM 1025 CG GLU A 64 14.507 33.373 24.234 1.00 0.00 C ATOM 1026 CD GLU A 64 13.571 34.442 24.782 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.014 34.184 25.871 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.259 35.392 24.036 1.00 0.00 O ATOM 0 H GLU A 64 15.293 30.355 22.785 1.00 0.00 H new ATOM 0 HA GLU A 64 16.472 31.655 23.931 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.258 32.045 25.919 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.784 32.906 25.913 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.344 33.865 23.738 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.975 32.804 23.472 1.00 0.00 H new ATOM 1035 N SER A 65 16.864 29.069 25.247 1.00 0.00 N ATOM 1036 CA SER A 65 17.805 28.254 25.979 1.00 0.00 C ATOM 1037 C SER A 65 19.234 28.773 25.848 1.00 0.00 C ATOM 1038 O SER A 65 19.564 29.177 24.723 1.00 0.00 O ATOM 1039 CB SER A 65 17.777 26.852 25.367 1.00 0.00 C ATOM 1040 OG SER A 65 16.638 26.275 25.973 1.00 0.00 O ATOM 0 H SER A 65 16.492 28.596 24.423 1.00 0.00 H new ATOM 0 HA SER A 65 17.522 28.267 27.032 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.686 26.885 24.281 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.684 26.292 25.594 1.00 0.00 H new ATOM 0 HG SER A 65 16.826 25.340 26.199 1.00 0.00 H new ATOM 1046 N THR A 66 20.012 28.731 26.925 1.00 0.00 N ATOM 1047 CA THR A 66 21.377 29.199 26.961 1.00 0.00 C ATOM 1048 C THR A 66 22.237 27.926 26.892 1.00 0.00 C ATOM 1049 O THR A 66 21.965 26.996 27.638 1.00 0.00 O ATOM 1050 CB THR A 66 21.553 30.110 28.180 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.907 31.347 27.990 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.024 30.410 28.426 1.00 0.00 C ATOM 0 H THR A 66 19.693 28.358 27.819 1.00 0.00 H new ATOM 0 HA THR A 66 21.687 29.835 26.132 1.00 0.00 H new ATOM 0 HB THR A 66 21.119 29.580 29.028 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.034 31.908 28.784 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.122 31.058 29.297 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.560 29.478 28.605 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.445 30.909 27.553 1.00 0.00 H new ATOM 1060 N LEU A 67 23.239 27.775 26.034 1.00 0.00 N ATOM 1061 CA LEU A 67 24.111 26.640 25.815 1.00 0.00 C ATOM 1062 C LEU A 67 25.544 27.056 26.159 1.00 0.00 C ATOM 1063 O LEU A 67 25.856 28.239 26.243 1.00 0.00 O ATOM 1064 CB LEU A 67 24.048 26.055 24.407 1.00 0.00 C ATOM 1065 CG LEU A 67 22.711 25.422 24.013 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.779 26.391 23.291 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.829 24.209 23.105 1.00 0.00 C ATOM 0 H LEU A 67 23.483 28.539 25.404 1.00 0.00 H new ATOM 0 HA LEU A 67 23.763 25.839 26.467 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.279 26.846 23.694 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.829 25.301 24.311 1.00 0.00 H new ATOM 0 HG LEU A 67 22.306 25.124 24.980 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.849 25.882 23.039 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.563 27.240 23.940 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.258 26.745 22.378 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.834 23.827 22.878 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.328 24.495 22.179 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.410 23.434 23.606 1.00 0.00 H new ATOM 1079 N HIS A 68 26.354 26.070 26.528 1.00 0.00 N ATOM 1080 CA HIS A 68 27.684 26.272 27.065 1.00 0.00 C ATOM 1081 C HIS A 68 28.730 25.833 26.041 1.00 0.00 C ATOM 1082 O HIS A 68 28.749 24.654 25.694 1.00 0.00 O ATOM 1083 CB HIS A 68 27.872 25.287 28.220 1.00 0.00 C ATOM 1084 CG HIS A 68 29.177 25.305 28.969 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.536 24.142 29.647 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.164 26.248 29.145 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.736 24.391 30.160 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.112 25.672 29.972 1.00 0.00 N ATOM 0 H HIS A 68 26.093 25.087 26.458 1.00 0.00 H new ATOM 0 HA HIS A 68 27.792 27.320 27.345 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.073 25.463 28.940 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.729 24.281 27.825 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.193 27.241 28.721 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.340 23.654 30.668 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.936 26.128 30.364 1.00 0.00 H new ATOM 1096 N LEU A 69 29.605 26.705 25.545 1.00 0.00 N ATOM 1097 CA LEU A 69 30.724 26.396 24.675 1.00 0.00 C ATOM 1098 C LEU A 69 31.982 26.191 25.524 1.00 0.00 C ATOM 1099 O LEU A 69 32.315 27.107 26.270 1.00 0.00 O ATOM 1100 CB LEU A 69 30.932 27.545 23.680 1.00 0.00 C ATOM 1101 CG LEU A 69 31.753 27.184 22.444 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.078 27.870 21.255 1.00 0.00 C ATOM 1103 CD2 LEU A 69 33.119 27.862 22.505 1.00 0.00 C ATOM 0 H LEU A 69 29.543 27.701 25.755 1.00 0.00 H new ATOM 0 HA LEU A 69 30.519 25.482 24.117 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.956 27.908 23.357 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.423 28.369 24.197 1.00 0.00 H new ATOM 0 HG LEU A 69 31.834 26.099 22.375 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.629 27.642 20.343 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.054 27.509 21.160 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.069 28.948 21.414 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.696 27.598 21.619 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.987 28.943 22.543 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.651 27.530 23.397 1.00 0.00 H new ATOM 1115 N VAL A 70 32.612 25.040 25.269 1.00 0.00 N ATOM 1116 CA VAL A 70 33.965 24.605 25.571 1.00 0.00 C ATOM 1117 C VAL A 70 34.652 24.548 24.201 1.00 0.00 C ATOM 1118 O VAL A 70 34.132 24.114 23.178 1.00 0.00 O ATOM 1119 CB VAL A 70 34.081 23.372 26.450 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.500 23.390 27.871 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.625 22.018 25.890 1.00 0.00 C ATOM 0 H VAL A 70 32.110 24.299 24.780 1.00 0.00 H new ATOM 0 HA VAL A 70 34.480 25.301 26.233 1.00 0.00 H new ATOM 0 HB VAL A 70 35.167 23.457 26.476 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.676 22.426 28.348 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.983 24.176 28.452 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.428 23.581 27.823 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.775 21.244 26.643 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.568 22.070 25.628 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.208 21.777 25.001 1.00 0.00 H new ATOM 1131 N LEU A 71 35.895 25.007 24.137 1.00 0.00 N ATOM 1132 CA LEU A 71 36.815 24.820 23.035 1.00 0.00 C ATOM 1133 C LEU A 71 37.817 23.716 23.382 1.00 0.00 C ATOM 1134 O LEU A 71 38.448 23.777 24.439 1.00 0.00 O ATOM 1135 CB LEU A 71 37.487 26.186 22.917 1.00 0.00 C ATOM 1136 CG LEU A 71 38.122 26.487 21.563 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.967 27.977 21.258 1.00 0.00 C ATOM 1138 CD2 LEU A 71 39.600 26.081 21.558 1.00 0.00 C ATOM 0 H LEU A 71 36.306 25.549 24.897 1.00 0.00 H new ATOM 0 HA LEU A 71 36.345 24.510 22.102 1.00 0.00 H new ATOM 0 HB2 LEU A 71 36.746 26.956 23.131 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.257 26.261 23.685 1.00 0.00 H new ATOM 0 HG LEU A 71 37.617 25.908 20.789 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.419 28.199 20.291 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.908 28.235 21.232 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.463 28.561 22.033 1.00 0.00 H new ATOM 0 HD21 LEU A 71 40.035 26.304 20.584 1.00 0.00 H new ATOM 0 HD22 LEU A 71 40.133 26.637 22.329 1.00 0.00 H new ATOM 0 HD23 LEU A 71 39.685 25.013 21.758 1.00 0.00 H new