USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 8:sc= 1.58 USER MOD Set 1.2: A 57 SER OG : rot -57:sc= 0.798 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -165:sc= -0.0196 (180deg=-0.369) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 7 THR OG1 : rot 133:sc= 0.627 USER MOD Set 3.2: A 9 THR OG1 : rot -150:sc= 0.227 USER MOD Single : A 1 MET CE :methyl -153:sc= -0.135 (180deg=-0.55) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.02 (180deg=0.051) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -69:sc= 0.0729 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.395 USER MOD Single : A 25 ASN : amide:sc= -0.282 X(o=-0.28,f=-0.0018) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 145:sc= -0.382 (180deg=-1.11) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.26 F(o=-1.3,f=-0.26) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.184) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.89 F(o=-3.2,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0.121 F(o=-2.8!,f=0.12) USER MOD Single : A 59 TYR OH : rot 180:sc= 0.4 USER MOD Single : A 60 ASN : amide:sc= -0.814 K(o=-0.81,f=-4.7!) USER MOD Single : A 62 GLN : amide:sc= -0.0914 X(o=-0.091,f=-0.091) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0922) USER MOD Single : A 66 THR OG1 : rot 28:sc= 0.0484 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.544 31.734 2.607 1.00 0.00 N ATOM 2 CA MET A 1 31.463 32.926 3.496 1.00 0.00 C ATOM 3 C MET A 1 32.382 32.724 4.697 1.00 0.00 C ATOM 4 O MET A 1 32.635 31.594 5.112 1.00 0.00 O ATOM 5 CB MET A 1 30.018 33.115 3.971 1.00 0.00 C ATOM 6 CG MET A 1 29.484 31.800 4.547 1.00 0.00 C ATOM 7 SD MET A 1 27.753 32.017 5.046 1.00 0.00 S ATOM 8 CE MET A 1 28.037 32.282 6.816 1.00 0.00 C ATOM 0 H1 MET A 1 30.654 31.634 2.078 1.00 0.00 H new ATOM 0 H2 MET A 1 32.332 31.852 1.939 1.00 0.00 H new ATOM 0 H3 MET A 1 31.702 30.882 3.182 1.00 0.00 H new ATOM 0 HA MET A 1 31.777 33.814 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.974 33.898 4.728 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.392 33.439 3.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 29.563 31.007 3.804 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.085 31.495 5.404 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.157 31.968 7.377 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.899 31.698 7.138 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.226 33.340 7.000 1.00 0.00 H new ATOM 20 N GLN A 2 32.884 33.829 5.247 1.00 0.00 N ATOM 21 CA GLN A 2 33.781 33.775 6.401 1.00 0.00 C ATOM 22 C GLN A 2 33.154 34.479 7.598 1.00 0.00 C ATOM 23 O GLN A 2 32.279 35.331 7.446 1.00 0.00 O ATOM 24 CB GLN A 2 35.107 34.455 6.049 1.00 0.00 C ATOM 25 CG GLN A 2 34.841 35.879 5.554 1.00 0.00 C ATOM 26 CD GLN A 2 36.160 36.582 5.254 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.860 37.010 6.173 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.548 36.726 4.016 1.00 0.00 N ATOM 0 H GLN A 2 32.685 34.772 4.912 1.00 0.00 H new ATOM 0 HA GLN A 2 33.957 32.731 6.659 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.758 34.479 6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.627 33.884 5.280 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.222 35.851 4.657 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.285 36.437 6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.968 36.372 3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.431 37.193 3.809 1.00 0.00 H new ATOM 37 N ILE A 3 33.632 34.132 8.791 1.00 0.00 N ATOM 38 CA ILE A 3 33.142 34.754 10.020 1.00 0.00 C ATOM 39 C ILE A 3 34.195 34.654 11.108 1.00 0.00 C ATOM 40 O ILE A 3 35.204 33.970 10.951 1.00 0.00 O ATOM 41 CB ILE A 3 31.832 34.114 10.505 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.007 32.588 10.648 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.700 34.442 9.518 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.641 31.892 10.627 1.00 0.00 C ATOM 0 H ILE A 3 34.355 33.427 8.933 1.00 0.00 H new ATOM 0 HA ILE A 3 32.938 35.802 9.798 1.00 0.00 H new ATOM 0 HB ILE A 3 31.572 34.520 11.483 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.629 32.209 9.837 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.525 32.360 11.580 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.772 33.987 9.864 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.573 35.523 9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.951 34.049 8.533 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.779 30.816 10.729 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.033 32.259 11.454 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.138 32.106 9.684 1.00 0.00 H new ATOM 56 N PHE A 4 33.952 35.349 12.211 1.00 0.00 N ATOM 57 CA PHE A 4 34.883 35.353 13.338 1.00 0.00 C ATOM 58 C PHE A 4 34.295 34.608 14.529 1.00 0.00 C ATOM 59 O PHE A 4 33.090 34.669 14.776 1.00 0.00 O ATOM 60 CB PHE A 4 35.169 36.796 13.759 1.00 0.00 C ATOM 61 CG PHE A 4 35.464 37.639 12.541 1.00 0.00 C ATOM 62 CD1 PHE A 4 34.415 38.078 11.725 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.784 37.989 12.233 1.00 0.00 C ATOM 64 CE1 PHE A 4 34.686 38.869 10.600 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.055 38.776 11.108 1.00 0.00 C ATOM 66 CZ PHE A 4 36.007 39.217 10.292 1.00 0.00 C ATOM 0 H PHE A 4 33.118 35.919 12.352 1.00 0.00 H new ATOM 0 HA PHE A 4 35.801 34.857 13.024 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.312 37.204 14.295 1.00 0.00 H new ATOM 0 HB3 PHE A 4 36.016 36.823 14.444 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.397 37.807 11.962 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.593 37.652 12.864 1.00 0.00 H new ATOM 0 HE1 PHE A 4 33.877 39.210 9.971 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.074 39.043 10.869 1.00 0.00 H new ATOM 0 HZ PHE A 4 36.217 39.826 9.425 1.00 0.00 H new ATOM 76 N VAL A 5 35.156 33.906 15.267 1.00 0.00 N ATOM 77 CA VAL A 5 34.729 33.162 16.448 1.00 0.00 C ATOM 78 C VAL A 5 35.476 33.686 17.661 1.00 0.00 C ATOM 79 O VAL A 5 36.697 33.839 17.641 1.00 0.00 O ATOM 80 CB VAL A 5 34.994 31.662 16.258 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.894 30.938 17.609 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.941 31.089 15.307 1.00 0.00 C ATOM 0 H VAL A 5 36.154 33.838 15.066 1.00 0.00 H new ATOM 0 HA VAL A 5 33.658 33.299 16.598 1.00 0.00 H new ATOM 0 HB VAL A 5 35.993 31.520 15.846 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.083 29.874 17.466 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.632 31.349 18.297 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.895 31.077 18.023 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.120 30.023 15.165 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.948 31.237 15.732 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.003 31.599 14.345 1.00 0.00 H new ATOM 92 N LYS A 6 34.720 33.969 18.706 1.00 0.00 N ATOM 93 CA LYS A 6 35.282 34.498 19.945 1.00 0.00 C ATOM 94 C LYS A 6 35.183 33.470 21.069 1.00 0.00 C ATOM 95 O LYS A 6 34.132 32.865 21.273 1.00 0.00 O ATOM 96 CB LYS A 6 34.501 35.753 20.341 1.00 0.00 C ATOM 97 CG LYS A 6 34.879 36.917 19.423 1.00 0.00 C ATOM 98 CD LYS A 6 34.260 38.203 19.972 1.00 0.00 C ATOM 99 CE LYS A 6 34.481 39.349 18.984 1.00 0.00 C ATOM 100 NZ LYS A 6 35.943 39.553 18.779 1.00 0.00 N ATOM 0 H LYS A 6 33.708 33.842 18.725 1.00 0.00 H new ATOM 0 HA LYS A 6 36.334 34.734 19.785 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.430 35.561 20.275 1.00 0.00 H new ATOM 0 HB3 LYS A 6 34.715 36.012 21.378 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.963 37.015 19.366 1.00 0.00 H new ATOM 0 HG3 LYS A 6 34.522 36.729 18.410 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.193 38.059 20.143 1.00 0.00 H new ATOM 0 HD3 LYS A 6 34.707 38.450 20.935 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.998 39.122 18.034 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.025 40.263 19.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 36.104 40.473 18.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 36.428 39.534 19.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 36.318 38.795 18.174 1.00 0.00 H new ATOM 114 N THR A 7 36.282 33.283 21.806 1.00 0.00 N ATOM 115 CA THR A 7 36.297 32.333 22.926 1.00 0.00 C ATOM 116 C THR A 7 36.313 33.085 24.252 1.00 0.00 C ATOM 117 O THR A 7 36.310 34.319 24.288 1.00 0.00 O ATOM 118 CB THR A 7 37.523 31.423 22.841 1.00 0.00 C ATOM 119 OG1 THR A 7 38.691 32.173 23.146 1.00 0.00 O ATOM 120 CG2 THR A 7 37.637 30.842 21.431 1.00 0.00 C ATOM 0 H THR A 7 37.165 33.770 21.651 1.00 0.00 H new ATOM 0 HA THR A 7 35.397 31.721 22.868 1.00 0.00 H new ATOM 0 HB THR A 7 37.419 30.607 23.557 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.240 31.676 23.788 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.512 30.194 21.374 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.742 30.264 21.202 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.739 31.653 20.710 1.00 0.00 H new ATOM 128 N LEU A 8 36.347 32.345 25.356 1.00 0.00 N ATOM 129 CA LEU A 8 36.369 32.968 26.671 1.00 0.00 C ATOM 130 C LEU A 8 37.732 33.605 26.946 1.00 0.00 C ATOM 131 O LEU A 8 37.866 34.441 27.841 1.00 0.00 O ATOM 132 CB LEU A 8 36.057 31.922 27.755 1.00 0.00 C ATOM 133 CG LEU A 8 34.755 31.186 27.405 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.398 30.200 28.525 1.00 0.00 C ATOM 135 CD2 LEU A 8 33.613 32.199 27.235 1.00 0.00 C ATOM 0 H LEU A 8 36.360 31.325 25.365 1.00 0.00 H new ATOM 0 HA LEU A 8 35.609 33.749 26.693 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.879 31.210 27.834 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.962 32.408 28.726 1.00 0.00 H new ATOM 0 HG LEU A 8 34.897 30.640 26.472 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.474 29.681 28.272 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.202 29.474 28.640 1.00 0.00 H new ATOM 0 HD13 LEU A 8 34.264 30.744 29.460 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.692 31.671 26.987 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.475 32.751 28.164 1.00 0.00 H new ATOM 0 HD23 LEU A 8 33.860 32.894 26.433 1.00 0.00 H new ATOM 147 N THR A 9 38.750 33.210 26.180 1.00 0.00 N ATOM 148 CA THR A 9 40.090 33.764 26.371 1.00 0.00 C ATOM 149 C THR A 9 40.280 35.034 25.546 1.00 0.00 C ATOM 150 O THR A 9 41.393 35.548 25.435 1.00 0.00 O ATOM 151 CB THR A 9 41.154 32.732 25.982 1.00 0.00 C ATOM 152 OG1 THR A 9 40.879 32.237 24.682 1.00 0.00 O ATOM 153 CG2 THR A 9 41.139 31.579 26.987 1.00 0.00 C ATOM 0 H THR A 9 38.675 32.520 25.433 1.00 0.00 H new ATOM 0 HA THR A 9 40.201 34.015 27.426 1.00 0.00 H new ATOM 0 HB THR A 9 42.137 33.202 25.988 1.00 0.00 H new ATOM 0 HG1 THR A 9 41.202 31.315 24.608 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.896 30.845 26.710 1.00 0.00 H new ATOM 0 HG22 THR A 9 41.354 31.963 27.984 1.00 0.00 H new ATOM 0 HG23 THR A 9 40.157 31.106 26.984 1.00 0.00 H new ATOM 161 N GLY A 10 39.190 35.544 24.971 1.00 0.00 N ATOM 162 CA GLY A 10 39.266 36.763 24.175 1.00 0.00 C ATOM 163 C GLY A 10 40.035 36.529 22.883 1.00 0.00 C ATOM 164 O GLY A 10 40.558 37.469 22.282 1.00 0.00 O ATOM 0 H GLY A 10 38.258 35.136 25.041 1.00 0.00 H new ATOM 0 HA2 GLY A 10 38.260 37.113 23.944 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.752 37.549 24.754 1.00 0.00 H new ATOM 168 N LYS A 11 40.088 35.275 22.446 1.00 0.00 N ATOM 169 CA LYS A 11 40.781 34.933 21.210 1.00 0.00 C ATOM 170 C LYS A 11 39.817 35.038 20.035 1.00 0.00 C ATOM 171 O LYS A 11 38.687 34.548 20.110 1.00 0.00 O ATOM 172 CB LYS A 11 41.325 33.501 21.283 1.00 0.00 C ATOM 173 CG LYS A 11 42.487 33.431 22.280 1.00 0.00 C ATOM 174 CD LYS A 11 43.091 32.022 22.259 1.00 0.00 C ATOM 175 CE LYS A 11 44.412 32.013 23.035 1.00 0.00 C ATOM 176 NZ LYS A 11 45.055 30.674 22.904 1.00 0.00 N ATOM 0 H LYS A 11 39.662 34.483 22.927 1.00 0.00 H new ATOM 0 HA LYS A 11 41.610 35.627 21.073 1.00 0.00 H new ATOM 0 HB2 LYS A 11 40.532 32.817 21.587 1.00 0.00 H new ATOM 0 HB3 LYS A 11 41.661 33.180 20.297 1.00 0.00 H new ATOM 0 HG2 LYS A 11 43.247 34.168 22.022 1.00 0.00 H new ATOM 0 HG3 LYS A 11 42.135 33.673 23.283 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.394 31.311 22.702 1.00 0.00 H new ATOM 0 HD3 LYS A 11 43.261 31.704 21.230 1.00 0.00 H new ATOM 0 HE2 LYS A 11 45.077 32.787 22.651 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.231 32.240 24.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 45.952 30.667 23.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.421 29.945 23.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 45.241 30.475 21.900 1.00 0.00 H new ATOM 190 N THR A 12 40.264 35.676 18.953 1.00 0.00 N ATOM 191 CA THR A 12 39.433 35.835 17.758 1.00 0.00 C ATOM 192 C THR A 12 40.108 35.163 16.577 1.00 0.00 C ATOM 193 O THR A 12 41.262 35.448 16.258 1.00 0.00 O ATOM 194 CB THR A 12 39.220 37.318 17.443 1.00 0.00 C ATOM 195 OG1 THR A 12 38.614 37.955 18.560 1.00 0.00 O ATOM 196 CG2 THR A 12 38.306 37.448 16.218 1.00 0.00 C ATOM 0 H THR A 12 41.193 36.090 18.879 1.00 0.00 H new ATOM 0 HA THR A 12 38.464 35.372 17.944 1.00 0.00 H new ATOM 0 HB THR A 12 40.179 37.791 17.233 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.478 38.905 18.361 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.151 38.503 15.990 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.771 36.956 15.363 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.346 36.978 16.429 1.00 0.00 H new ATOM 204 N ILE A 13 39.376 34.268 15.932 1.00 0.00 N ATOM 205 CA ILE A 13 39.898 33.547 14.774 1.00 0.00 C ATOM 206 C ILE A 13 38.859 33.511 13.671 1.00 0.00 C ATOM 207 O ILE A 13 37.662 33.385 13.930 1.00 0.00 O ATOM 208 CB ILE A 13 40.293 32.125 15.169 1.00 0.00 C ATOM 209 CG1 ILE A 13 39.158 31.489 15.967 1.00 0.00 C ATOM 210 CG2 ILE A 13 41.560 32.167 16.023 1.00 0.00 C ATOM 211 CD1 ILE A 13 39.460 30.007 16.197 1.00 0.00 C ATOM 0 H ILE A 13 38.420 34.021 16.188 1.00 0.00 H new ATOM 0 HA ILE A 13 40.783 34.067 14.409 1.00 0.00 H new ATOM 0 HB ILE A 13 40.482 31.535 14.272 1.00 0.00 H new ATOM 0 HG12 ILE A 13 39.042 31.999 16.923 1.00 0.00 H new ATOM 0 HG13 ILE A 13 38.216 31.599 15.430 1.00 0.00 H new ATOM 0 HG21 ILE A 13 41.842 31.153 16.305 1.00 0.00 H new ATOM 0 HG22 ILE A 13 42.369 32.623 15.452 1.00 0.00 H new ATOM 0 HG23 ILE A 13 41.374 32.755 16.922 1.00 0.00 H new ATOM 0 HD11 ILE A 13 38.649 29.555 16.767 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.554 29.501 15.236 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.393 29.908 16.752 1.00 0.00 H new ATOM 223 N THR A 14 39.323 33.621 12.435 1.00 0.00 N ATOM 224 CA THR A 14 38.422 33.598 11.288 1.00 0.00 C ATOM 225 C THR A 14 38.335 32.193 10.702 1.00 0.00 C ATOM 226 O THR A 14 39.334 31.479 10.604 1.00 0.00 O ATOM 227 CB THR A 14 38.904 34.578 10.217 1.00 0.00 C ATOM 228 OG1 THR A 14 39.215 35.820 10.833 1.00 0.00 O ATOM 229 CG2 THR A 14 37.795 34.784 9.178 1.00 0.00 C ATOM 0 H THR A 14 40.310 33.726 12.200 1.00 0.00 H new ATOM 0 HA THR A 14 37.430 33.898 11.626 1.00 0.00 H new ATOM 0 HB THR A 14 39.791 34.180 9.723 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.389 36.246 11.145 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.137 35.482 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.550 33.829 8.713 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.908 35.187 9.667 1.00 0.00 H new ATOM 237 N LEU A 15 37.117 31.805 10.327 1.00 0.00 N ATOM 238 CA LEU A 15 36.854 30.484 9.755 1.00 0.00 C ATOM 239 C LEU A 15 36.162 30.637 8.397 1.00 0.00 C ATOM 240 O LEU A 15 35.364 31.554 8.194 1.00 0.00 O ATOM 241 CB LEU A 15 35.946 29.692 10.731 1.00 0.00 C ATOM 242 CG LEU A 15 36.655 28.438 11.265 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.789 28.837 12.220 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.632 27.580 12.016 1.00 0.00 C ATOM 0 H LEU A 15 36.288 32.394 10.410 1.00 0.00 H new ATOM 0 HA LEU A 15 37.791 29.947 9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.660 30.333 11.565 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.027 29.403 10.221 1.00 0.00 H new ATOM 0 HG LEU A 15 37.080 27.877 10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.284 27.940 12.592 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.512 29.456 11.688 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.378 29.399 13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.121 26.685 12.401 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.216 28.152 12.845 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.830 27.291 11.336 1.00 0.00 H new ATOM 256 N GLU A 16 36.446 29.709 7.487 1.00 0.00 N ATOM 257 CA GLU A 16 35.822 29.717 6.159 1.00 0.00 C ATOM 258 C GLU A 16 34.811 28.582 6.085 1.00 0.00 C ATOM 259 O GLU A 16 35.153 27.426 6.326 1.00 0.00 O ATOM 260 CB GLU A 16 36.879 29.548 5.058 1.00 0.00 C ATOM 261 CG GLU A 16 37.724 28.304 5.333 1.00 0.00 C ATOM 262 CD GLU A 16 38.953 28.300 4.431 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.027 29.149 3.559 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.803 27.447 4.627 1.00 0.00 O ATOM 0 H GLU A 16 37.101 28.943 7.640 1.00 0.00 H new ATOM 0 HA GLU A 16 35.323 30.674 6.004 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.393 29.461 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.518 30.430 5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.030 28.286 6.379 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.132 27.406 5.159 1.00 0.00 H new ATOM 271 N VAL A 17 33.565 28.915 5.761 1.00 0.00 N ATOM 272 CA VAL A 17 32.517 27.898 5.684 1.00 0.00 C ATOM 273 C VAL A 17 31.485 28.242 4.620 1.00 0.00 C ATOM 274 O VAL A 17 31.444 29.359 4.101 1.00 0.00 O ATOM 275 CB VAL A 17 31.838 27.728 7.060 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.862 27.948 8.175 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.702 28.739 7.227 1.00 0.00 C ATOM 0 H VAL A 17 33.258 29.865 5.550 1.00 0.00 H new ATOM 0 HA VAL A 17 32.984 26.955 5.400 1.00 0.00 H new ATOM 0 HB VAL A 17 31.433 26.718 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.377 27.827 9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.667 27.220 8.079 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.273 28.955 8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.235 28.604 8.203 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.101 29.751 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 17 29.959 28.584 6.445 1.00 0.00 H new ATOM 287 N GLU A 18 30.632 27.265 4.314 1.00 0.00 N ATOM 288 CA GLU A 18 29.574 27.442 3.331 1.00 0.00 C ATOM 289 C GLU A 18 28.220 27.415 4.047 1.00 0.00 C ATOM 290 O GLU A 18 28.059 26.701 5.032 1.00 0.00 O ATOM 291 CB GLU A 18 29.629 26.312 2.297 1.00 0.00 C ATOM 292 CG GLU A 18 31.062 26.163 1.781 1.00 0.00 C ATOM 293 CD GLU A 18 31.132 25.033 0.760 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.146 24.328 0.618 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.170 24.888 0.135 1.00 0.00 O ATOM 0 H GLU A 18 30.657 26.338 4.738 1.00 0.00 H new ATOM 0 HA GLU A 18 29.706 28.396 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.294 25.377 2.746 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.954 26.529 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.393 27.097 1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.737 25.957 2.612 1.00 0.00 H new ATOM 302 N PRO A 19 27.255 28.163 3.594 1.00 0.00 N ATOM 303 CA PRO A 19 25.908 28.185 4.235 1.00 0.00 C ATOM 304 C PRO A 19 25.327 26.778 4.386 1.00 0.00 C ATOM 305 O PRO A 19 24.591 26.493 5.334 1.00 0.00 O ATOM 306 CB PRO A 19 25.058 29.035 3.270 1.00 0.00 C ATOM 307 CG PRO A 19 26.040 29.888 2.536 1.00 0.00 C ATOM 308 CD PRO A 19 27.315 29.064 2.427 1.00 0.00 C ATOM 0 HA PRO A 19 25.938 28.590 5.247 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.492 28.405 2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 19 24.335 29.644 3.813 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.663 30.155 1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.223 30.820 3.071 1.00 0.00 H new ATOM 0 HD2 PRO A 19 27.351 28.505 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.203 29.696 2.455 1.00 0.00 H new ATOM 316 N SER A 20 25.656 25.903 3.434 1.00 0.00 N ATOM 317 CA SER A 20 25.150 24.536 3.441 1.00 0.00 C ATOM 318 C SER A 20 25.924 23.649 4.405 1.00 0.00 C ATOM 319 O SER A 20 25.681 22.442 4.474 1.00 0.00 O ATOM 320 CB SER A 20 25.242 23.956 2.028 1.00 0.00 C ATOM 321 OG SER A 20 26.607 23.896 1.636 1.00 0.00 O ATOM 0 H SER A 20 26.271 26.120 2.650 1.00 0.00 H new ATOM 0 HA SER A 20 24.113 24.563 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.799 22.960 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.678 24.575 1.330 1.00 0.00 H new ATOM 0 HG SER A 20 26.672 23.523 0.732 1.00 0.00 H new ATOM 327 N ASP A 21 26.859 24.232 5.148 1.00 0.00 N ATOM 328 CA ASP A 21 27.646 23.464 6.093 1.00 0.00 C ATOM 329 C ASP A 21 26.793 23.076 7.295 1.00 0.00 C ATOM 330 O ASP A 21 25.971 23.871 7.766 1.00 0.00 O ATOM 331 CB ASP A 21 28.848 24.307 6.554 1.00 0.00 C ATOM 332 CG ASP A 21 29.916 24.361 5.460 1.00 0.00 C ATOM 333 OD1 ASP A 21 29.696 23.779 4.412 1.00 0.00 O ATOM 334 OD2 ASP A 21 30.941 24.980 5.691 1.00 0.00 O ATOM 0 H ASP A 21 27.086 25.226 5.112 1.00 0.00 H new ATOM 0 HA ASP A 21 28.001 22.554 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.519 25.317 6.799 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.272 23.880 7.463 1.00 0.00 H new ATOM 339 N THR A 22 26.986 21.853 7.786 1.00 0.00 N ATOM 340 CA THR A 22 26.228 21.375 8.940 1.00 0.00 C ATOM 341 C THR A 22 26.935 21.782 10.223 1.00 0.00 C ATOM 342 O THR A 22 28.159 21.887 10.254 1.00 0.00 O ATOM 343 CB THR A 22 26.094 19.851 8.895 1.00 0.00 C ATOM 344 OG1 THR A 22 27.388 19.264 8.893 1.00 0.00 O ATOM 345 CG2 THR A 22 25.340 19.434 7.631 1.00 0.00 C ATOM 0 H THR A 22 27.654 21.181 7.407 1.00 0.00 H new ATOM 0 HA THR A 22 25.233 21.820 8.913 1.00 0.00 H new ATOM 0 HB THR A 22 25.540 19.511 9.770 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.304 18.288 8.866 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.247 18.348 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.347 19.883 7.635 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.888 19.773 6.752 1.00 0.00 H new ATOM 353 N ILE A 23 26.165 22.004 11.276 1.00 0.00 N ATOM 354 CA ILE A 23 26.753 22.392 12.550 1.00 0.00 C ATOM 355 C ILE A 23 27.843 21.401 12.936 1.00 0.00 C ATOM 356 O ILE A 23 28.749 21.722 13.703 1.00 0.00 O ATOM 357 CB ILE A 23 25.678 22.431 13.639 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.467 23.236 13.150 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.247 23.082 14.899 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.920 24.587 12.582 1.00 0.00 C ATOM 0 H ILE A 23 25.148 21.924 11.277 1.00 0.00 H new ATOM 0 HA ILE A 23 27.188 23.386 12.450 1.00 0.00 H new ATOM 0 HB ILE A 23 25.364 21.412 13.865 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.932 22.673 12.385 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.771 23.395 13.974 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.480 23.109 15.673 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.100 22.504 15.254 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.567 24.099 14.670 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.050 25.147 12.239 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.434 25.154 13.358 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.598 24.421 11.745 1.00 0.00 H new ATOM 372 N GLU A 24 27.765 20.203 12.369 1.00 0.00 N ATOM 373 CA GLU A 24 28.761 19.176 12.639 1.00 0.00 C ATOM 374 C GLU A 24 30.051 19.483 11.875 1.00 0.00 C ATOM 375 O GLU A 24 31.124 19.592 12.465 1.00 0.00 O ATOM 376 CB GLU A 24 28.217 17.806 12.228 1.00 0.00 C ATOM 377 CG GLU A 24 29.188 16.713 12.672 1.00 0.00 C ATOM 378 CD GLU A 24 28.628 15.341 12.314 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.389 15.108 11.140 1.00 0.00 O ATOM 380 OE2 GLU A 24 28.451 14.542 13.218 1.00 0.00 O ATOM 0 H GLU A 24 27.027 19.921 11.724 1.00 0.00 H new ATOM 0 HA GLU A 24 28.981 19.164 13.706 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.238 17.642 12.679 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.080 17.767 11.147 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.155 16.857 12.191 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.354 16.778 13.747 1.00 0.00 H new ATOM 387 N ASN A 25 29.930 19.625 10.559 1.00 0.00 N ATOM 388 CA ASN A 25 31.083 19.926 9.720 1.00 0.00 C ATOM 389 C ASN A 25 31.789 21.184 10.219 1.00 0.00 C ATOM 390 O ASN A 25 33.018 21.246 10.261 1.00 0.00 O ATOM 391 CB ASN A 25 30.620 20.136 8.279 1.00 0.00 C ATOM 392 CG ASN A 25 31.820 20.346 7.363 1.00 0.00 C ATOM 393 OD1 ASN A 25 32.598 19.422 7.137 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.013 21.517 6.819 1.00 0.00 N ATOM 0 H ASN A 25 29.049 19.537 10.053 1.00 0.00 H new ATOM 0 HA ASN A 25 31.782 19.091 9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.046 19.272 7.945 1.00 0.00 H new ATOM 0 HB3 ASN A 25 29.957 21.000 8.225 1.00 0.00 H new ATOM 0 HD21 ASN A 25 32.812 21.668 6.203 1.00 0.00 H new ATOM 0 HD22 ASN A 25 31.365 22.281 7.009 1.00 0.00 H new ATOM 401 N VAL A 26 31.009 22.193 10.598 1.00 0.00 N ATOM 402 CA VAL A 26 31.586 23.438 11.088 1.00 0.00 C ATOM 403 C VAL A 26 32.336 23.200 12.397 1.00 0.00 C ATOM 404 O VAL A 26 33.418 23.746 12.614 1.00 0.00 O ATOM 405 CB VAL A 26 30.491 24.494 11.289 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.127 25.797 11.770 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.776 24.744 9.960 1.00 0.00 C ATOM 0 H VAL A 26 29.989 22.173 10.576 1.00 0.00 H new ATOM 0 HA VAL A 26 32.292 23.806 10.344 1.00 0.00 H new ATOM 0 HB VAL A 26 29.774 24.139 12.030 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.351 26.549 11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.643 25.623 12.714 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.841 26.150 11.026 1.00 0.00 H new ATOM 0 HG21 VAL A 26 28.998 25.494 10.101 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.494 25.101 9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.326 23.816 9.609 1.00 0.00 H new ATOM 417 N LYS A 27 31.766 22.371 13.266 1.00 0.00 N ATOM 418 CA LYS A 27 32.409 22.064 14.537 1.00 0.00 C ATOM 419 C LYS A 27 33.722 21.356 14.263 1.00 0.00 C ATOM 420 O LYS A 27 34.721 21.566 14.950 1.00 0.00 O ATOM 421 CB LYS A 27 31.495 21.186 15.401 1.00 0.00 C ATOM 422 CG LYS A 27 30.456 22.062 16.111 1.00 0.00 C ATOM 423 CD LYS A 27 29.359 21.177 16.713 1.00 0.00 C ATOM 424 CE LYS A 27 28.585 21.968 17.770 1.00 0.00 C ATOM 425 NZ LYS A 27 27.487 21.122 18.318 1.00 0.00 N ATOM 0 H LYS A 27 30.871 21.905 13.116 1.00 0.00 H new ATOM 0 HA LYS A 27 32.600 22.988 15.083 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.995 20.443 14.779 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.087 20.640 16.135 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.935 22.648 16.895 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.020 22.770 15.406 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.681 20.837 15.930 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.801 20.287 17.161 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.256 22.277 18.572 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.174 22.877 17.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.961 21.659 19.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.843 20.849 17.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.891 20.267 18.752 1.00 0.00 H new ATOM 439 N ALA A 28 33.702 20.515 13.241 1.00 0.00 N ATOM 440 CA ALA A 28 34.883 19.773 12.845 1.00 0.00 C ATOM 441 C ALA A 28 36.008 20.740 12.476 1.00 0.00 C ATOM 442 O ALA A 28 37.174 20.496 12.786 1.00 0.00 O ATOM 443 CB ALA A 28 34.534 18.886 11.649 1.00 0.00 C ATOM 0 H ALA A 28 32.877 20.331 12.671 1.00 0.00 H new ATOM 0 HA ALA A 28 35.222 19.150 13.673 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.416 18.324 11.343 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.741 18.193 11.929 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.196 19.509 10.821 1.00 0.00 H new ATOM 449 N LYS A 29 35.643 21.847 11.833 1.00 0.00 N ATOM 450 CA LYS A 29 36.628 22.855 11.448 1.00 0.00 C ATOM 451 C LYS A 29 37.232 23.486 12.701 1.00 0.00 C ATOM 452 O LYS A 29 38.438 23.721 12.780 1.00 0.00 O ATOM 453 CB LYS A 29 35.976 23.958 10.599 1.00 0.00 C ATOM 454 CG LYS A 29 35.495 23.384 9.263 1.00 0.00 C ATOM 455 CD LYS A 29 35.014 24.528 8.359 1.00 0.00 C ATOM 456 CE LYS A 29 34.698 23.977 6.967 1.00 0.00 C ATOM 457 NZ LYS A 29 34.293 25.098 6.073 1.00 0.00 N ATOM 0 H LYS A 29 34.683 22.068 11.570 1.00 0.00 H new ATOM 0 HA LYS A 29 37.406 22.367 10.860 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.136 24.394 11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.692 24.761 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.304 22.838 8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.686 22.673 9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.127 24.996 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.781 25.300 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 29 35.571 23.468 6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 29 33.898 23.239 7.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.636 24.914 5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.256 25.176 6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 34.704 25.987 6.423 1.00 0.00 H new ATOM 471 N ILE A 30 36.377 23.735 13.683 1.00 0.00 N ATOM 472 CA ILE A 30 36.814 24.325 14.933 1.00 0.00 C ATOM 473 C ILE A 30 37.742 23.369 15.677 1.00 0.00 C ATOM 474 O ILE A 30 38.816 23.762 16.127 1.00 0.00 O ATOM 475 CB ILE A 30 35.589 24.660 15.788 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.809 25.800 15.119 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.039 25.101 17.182 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.477 26.018 15.845 1.00 0.00 C ATOM 0 H ILE A 30 35.378 23.536 13.635 1.00 0.00 H new ATOM 0 HA ILE A 30 37.369 25.240 14.727 1.00 0.00 H new ATOM 0 HB ILE A 30 34.953 23.779 15.878 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.399 26.717 15.140 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.627 25.562 14.071 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.165 25.339 17.788 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.600 24.295 17.655 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.673 25.984 17.097 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.929 26.829 15.364 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.885 25.104 15.801 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.668 26.277 16.886 1.00 0.00 H new ATOM 490 N GLN A 31 37.320 22.116 15.805 1.00 0.00 N ATOM 491 CA GLN A 31 38.129 21.120 16.500 1.00 0.00 C ATOM 492 C GLN A 31 39.487 20.964 15.824 1.00 0.00 C ATOM 493 O GLN A 31 40.520 20.914 16.485 1.00 0.00 O ATOM 494 CB GLN A 31 37.414 19.767 16.508 1.00 0.00 C ATOM 495 CG GLN A 31 38.148 18.809 17.449 1.00 0.00 C ATOM 496 CD GLN A 31 37.502 17.429 17.403 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.700 17.126 16.420 1.00 0.00 O flip ATOM 498 NE2 GLN A 31 37.737 16.603 18.285 1.00 0.00 N flip ATOM 0 H GLN A 31 36.433 21.768 15.441 1.00 0.00 H new ATOM 0 HA GLN A 31 38.276 21.461 17.525 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.381 19.891 16.832 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.385 19.353 15.500 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.197 18.737 17.161 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.122 19.197 18.467 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.364 16.842 19.053 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.304 15.680 18.248 1.00 0.00 H new ATOM 507 N ASP A 32 39.470 20.864 14.504 1.00 0.00 N ATOM 508 CA ASP A 32 40.700 20.691 13.744 1.00 0.00 C ATOM 509 C ASP A 32 41.713 21.796 14.049 1.00 0.00 C ATOM 510 O ASP A 32 42.914 21.537 14.113 1.00 0.00 O ATOM 511 CB ASP A 32 40.389 20.685 12.245 1.00 0.00 C ATOM 512 CG ASP A 32 41.625 20.269 11.456 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.255 19.299 11.846 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.926 20.926 10.473 1.00 0.00 O ATOM 0 H ASP A 32 38.622 20.899 13.938 1.00 0.00 H new ATOM 0 HA ASP A 32 41.139 19.738 14.038 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.568 19.998 12.039 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.063 21.676 11.929 1.00 0.00 H new ATOM 519 N LYS A 33 41.237 23.030 14.211 1.00 0.00 N ATOM 520 CA LYS A 33 42.141 24.157 14.479 1.00 0.00 C ATOM 521 C LYS A 33 42.423 24.361 15.973 1.00 0.00 C ATOM 522 O LYS A 33 43.536 24.736 16.344 1.00 0.00 O ATOM 523 CB LYS A 33 41.547 25.442 13.899 1.00 0.00 C ATOM 524 CG LYS A 33 41.235 25.240 12.413 1.00 0.00 C ATOM 525 CD LYS A 33 42.538 25.024 11.634 1.00 0.00 C ATOM 526 CE LYS A 33 42.318 25.350 10.157 1.00 0.00 C ATOM 527 NZ LYS A 33 41.229 24.489 9.614 1.00 0.00 N ATOM 0 H LYS A 33 40.248 23.277 14.163 1.00 0.00 H new ATOM 0 HA LYS A 33 43.091 23.918 14.001 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.639 25.710 14.438 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.248 26.267 14.025 1.00 0.00 H new ATOM 0 HG2 LYS A 33 40.576 24.381 12.284 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.706 26.109 12.022 1.00 0.00 H new ATOM 0 HD2 LYS A 33 43.326 25.657 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 33 42.870 23.992 11.742 1.00 0.00 H new ATOM 0 HE2 LYS A 33 42.056 26.402 10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 33 43.239 25.187 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.258 24.507 8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 41.360 23.512 9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.309 24.846 9.941 1.00 0.00 H new ATOM 541 N GLU A 34 41.420 24.155 16.829 1.00 0.00 N ATOM 542 CA GLU A 34 41.600 24.372 18.276 1.00 0.00 C ATOM 543 C GLU A 34 41.810 23.066 19.044 1.00 0.00 C ATOM 544 O GLU A 34 42.215 23.086 20.205 1.00 0.00 O ATOM 545 CB GLU A 34 40.379 25.102 18.845 1.00 0.00 C ATOM 546 CG GLU A 34 40.101 26.362 18.018 1.00 0.00 C ATOM 547 CD GLU A 34 39.103 27.258 18.745 1.00 0.00 C ATOM 548 OE1 GLU A 34 38.077 26.750 19.169 1.00 0.00 O ATOM 549 OE2 GLU A 34 39.378 28.442 18.865 1.00 0.00 O ATOM 0 H GLU A 34 40.488 23.843 16.557 1.00 0.00 H new ATOM 0 HA GLU A 34 42.499 24.975 18.400 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.510 24.445 18.828 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.556 25.370 19.887 1.00 0.00 H new ATOM 0 HG2 GLU A 34 41.030 26.905 17.845 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.707 26.085 17.040 1.00 0.00 H new ATOM 556 N GLY A 35 41.570 21.935 18.394 1.00 0.00 N ATOM 557 CA GLY A 35 41.773 20.637 19.036 1.00 0.00 C ATOM 558 C GLY A 35 40.825 20.413 20.216 1.00 0.00 C ATOM 559 O GLY A 35 41.021 19.485 21.002 1.00 0.00 O ATOM 0 H GLY A 35 41.237 21.886 17.431 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.627 19.845 18.301 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.804 20.564 19.383 1.00 0.00 H new ATOM 563 N ILE A 36 39.801 21.256 20.345 1.00 0.00 N ATOM 564 CA ILE A 36 38.843 21.123 21.437 1.00 0.00 C ATOM 565 C ILE A 36 37.641 20.265 21.000 1.00 0.00 C ATOM 566 O ILE A 36 36.851 20.701 20.161 1.00 0.00 O ATOM 567 CB ILE A 36 38.347 22.515 21.840 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.551 23.428 22.093 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.522 22.408 23.120 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.074 24.845 22.427 1.00 0.00 C ATOM 0 H ILE A 36 39.616 22.033 19.710 1.00 0.00 H new ATOM 0 HA ILE A 36 39.334 20.637 22.280 1.00 0.00 H new ATOM 0 HB ILE A 36 37.732 22.928 21.040 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.150 23.034 22.914 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.193 23.450 21.212 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.168 23.398 23.409 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.668 21.753 22.949 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.140 21.997 23.918 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.937 25.487 22.605 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.494 25.240 21.593 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.451 24.818 23.321 1.00 0.00 H new ATOM 582 N PRO A 37 37.472 19.066 21.532 1.00 0.00 N ATOM 583 CA PRO A 37 36.323 18.187 21.151 1.00 0.00 C ATOM 584 C PRO A 37 34.989 18.950 21.138 1.00 0.00 C ATOM 585 O PRO A 37 34.784 19.864 21.941 1.00 0.00 O ATOM 586 CB PRO A 37 36.330 17.098 22.233 1.00 0.00 C ATOM 587 CG PRO A 37 37.757 17.000 22.664 1.00 0.00 C ATOM 588 CD PRO A 37 38.338 18.412 22.537 1.00 0.00 C ATOM 0 HA PRO A 37 36.424 17.789 20.141 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.682 17.365 23.068 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.969 16.147 21.840 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.830 16.639 23.690 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.305 16.295 22.039 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.313 18.941 23.490 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.378 18.388 22.212 1.00 0.00 H new ATOM 596 N PRO A 38 34.083 18.601 20.252 1.00 0.00 N ATOM 597 CA PRO A 38 32.757 19.284 20.147 1.00 0.00 C ATOM 598 C PRO A 38 31.839 18.954 21.321 1.00 0.00 C ATOM 599 O PRO A 38 30.834 19.630 21.542 1.00 0.00 O ATOM 600 CB PRO A 38 32.192 18.752 18.826 1.00 0.00 C ATOM 601 CG PRO A 38 32.792 17.398 18.696 1.00 0.00 C ATOM 602 CD PRO A 38 34.205 17.518 19.259 1.00 0.00 C ATOM 0 HA PRO A 38 32.846 20.370 20.171 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.103 18.705 18.848 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.467 19.392 17.988 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.212 16.658 19.248 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.811 17.076 17.655 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.536 16.586 19.718 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.928 17.764 18.482 1.00 0.00 H new ATOM 610 N ASP A 39 32.187 17.914 22.067 1.00 0.00 N ATOM 611 CA ASP A 39 31.382 17.511 23.211 1.00 0.00 C ATOM 612 C ASP A 39 31.614 18.443 24.393 1.00 0.00 C ATOM 613 O ASP A 39 30.835 18.451 25.346 1.00 0.00 O ATOM 614 CB ASP A 39 31.728 16.076 23.615 1.00 0.00 C ATOM 615 CG ASP A 39 31.302 15.107 22.516 1.00 0.00 C ATOM 616 OD1 ASP A 39 32.066 14.929 21.583 1.00 0.00 O ATOM 617 OD2 ASP A 39 30.218 14.557 22.627 1.00 0.00 O ATOM 0 H ASP A 39 33.013 17.339 21.903 1.00 0.00 H new ATOM 0 HA ASP A 39 30.332 17.566 22.924 1.00 0.00 H new ATOM 0 HB2 ASP A 39 32.800 15.988 23.793 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.228 15.822 24.549 1.00 0.00 H new ATOM 622 N GLN A 40 32.696 19.226 24.337 1.00 0.00 N ATOM 623 CA GLN A 40 33.025 20.152 25.422 1.00 0.00 C ATOM 624 C GLN A 40 32.692 21.587 25.034 1.00 0.00 C ATOM 625 O GLN A 40 32.776 22.492 25.866 1.00 0.00 O ATOM 626 CB GLN A 40 34.522 20.061 25.736 1.00 0.00 C ATOM 627 CG GLN A 40 34.855 18.668 26.272 1.00 0.00 C ATOM 628 CD GLN A 40 36.321 18.606 26.688 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.806 19.494 27.389 1.00 0.00 O ATOM 630 NE2 GLN A 40 37.059 17.605 26.294 1.00 0.00 N ATOM 0 H GLN A 40 33.354 19.237 23.557 1.00 0.00 H new ATOM 0 HA GLN A 40 32.435 19.876 26.296 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.104 20.264 24.837 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.796 20.818 26.471 1.00 0.00 H new ATOM 0 HG2 GLN A 40 34.216 18.435 27.124 1.00 0.00 H new ATOM 0 HG3 GLN A 40 34.653 17.917 25.508 1.00 0.00 H new ATOM 0 HE21 GLN A 40 36.654 16.871 25.713 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.041 17.557 26.567 1.00 0.00 H new ATOM 639 N GLN A 41 32.332 21.797 23.766 1.00 0.00 N ATOM 640 CA GLN A 41 32.016 23.141 23.276 1.00 0.00 C ATOM 641 C GLN A 41 30.571 23.253 22.807 1.00 0.00 C ATOM 642 O GLN A 41 29.987 22.298 22.290 1.00 0.00 O ATOM 643 CB GLN A 41 32.935 23.490 22.106 1.00 0.00 C ATOM 644 CG GLN A 41 34.388 23.497 22.576 1.00 0.00 C ATOM 645 CD GLN A 41 35.301 23.869 21.414 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.051 24.933 21.499 1.00 0.00 O flip ATOM 647 NE2 GLN A 41 35.330 23.175 20.397 1.00 0.00 N flip ATOM 0 H GLN A 41 32.252 21.061 23.065 1.00 0.00 H new ATOM 0 HA GLN A 41 32.164 23.832 24.106 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.807 22.766 21.302 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.669 24.466 21.701 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.513 24.209 23.392 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.659 22.516 22.965 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.744 22.343 20.330 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.940 23.432 19.621 1.00 0.00 H new ATOM 656 N ARG A 42 30.012 24.448 22.980 1.00 0.00 N ATOM 657 CA ARG A 42 28.644 24.748 22.564 1.00 0.00 C ATOM 658 C ARG A 42 28.659 26.048 21.763 1.00 0.00 C ATOM 659 O ARG A 42 29.350 26.999 22.134 1.00 0.00 O ATOM 660 CB ARG A 42 27.735 24.904 23.791 1.00 0.00 C ATOM 661 CG ARG A 42 27.672 23.578 24.580 1.00 0.00 C ATOM 662 CD ARG A 42 26.590 22.663 23.992 1.00 0.00 C ATOM 663 NE ARG A 42 26.506 21.419 24.753 1.00 0.00 N ATOM 664 CZ ARG A 42 25.641 20.462 24.418 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.579 19.362 25.118 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.857 20.623 23.387 1.00 0.00 N ATOM 0 H ARG A 42 30.494 25.236 23.412 1.00 0.00 H new ATOM 0 HA ARG A 42 28.258 23.932 21.953 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.112 25.700 24.433 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.733 25.196 23.476 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.640 23.078 24.544 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.457 23.780 25.629 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.626 23.172 24.008 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.818 22.444 22.949 1.00 0.00 H new ATOM 0 HE ARG A 42 27.120 21.280 25.555 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.193 19.234 25.922 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.917 18.630 24.861 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.906 21.481 22.838 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.195 19.891 23.130 1.00 0.00 H new ATOM 680 N LEU A 43 27.916 26.094 20.655 1.00 0.00 N ATOM 681 CA LEU A 43 27.878 27.295 19.809 1.00 0.00 C ATOM 682 C LEU A 43 26.550 28.028 19.985 1.00 0.00 C ATOM 683 O LEU A 43 25.479 27.474 19.708 1.00 0.00 O ATOM 684 CB LEU A 43 28.055 26.897 18.339 1.00 0.00 C ATOM 685 CG LEU A 43 29.226 25.914 18.201 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.395 25.532 16.728 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.518 26.568 18.708 1.00 0.00 C ATOM 0 H LEU A 43 27.337 25.323 20.323 1.00 0.00 H new ATOM 0 HA LEU A 43 28.689 27.960 20.107 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.139 26.440 17.964 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.240 27.784 17.733 1.00 0.00 H new ATOM 0 HG LEU A 43 29.019 25.022 18.792 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.226 24.834 16.626 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.480 25.062 16.367 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.599 26.427 16.141 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.345 25.865 18.607 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.728 27.462 18.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.400 26.842 19.756 1.00 0.00 H new ATOM 699 N ILE A 44 26.620 29.288 20.438 1.00 0.00 N ATOM 700 CA ILE A 44 25.416 30.101 20.653 1.00 0.00 C ATOM 701 C ILE A 44 25.373 31.297 19.701 1.00 0.00 C ATOM 702 O ILE A 44 26.361 32.021 19.522 1.00 0.00 O ATOM 703 CB ILE A 44 25.386 30.599 22.100 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.627 29.410 23.043 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.021 31.232 22.399 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.587 28.310 22.787 1.00 0.00 C ATOM 0 H ILE A 44 27.494 29.764 20.662 1.00 0.00 H new ATOM 0 HA ILE A 44 24.545 29.476 20.454 1.00 0.00 H new ATOM 0 HB ILE A 44 26.164 31.348 22.249 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.631 29.014 22.891 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.569 29.741 24.080 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.002 31.586 23.430 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.853 32.071 21.724 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.236 30.489 22.256 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.769 27.473 23.461 1.00 0.00 H new ATOM 0 HD12 ILE A 44 23.587 28.707 22.962 1.00 0.00 H new ATOM 0 HD13 ILE A 44 24.666 27.968 21.755 1.00 0.00 H new ATOM 718 N PHE A 45 24.198 31.502 19.099 1.00 0.00 N ATOM 719 CA PHE A 45 23.970 32.604 18.163 1.00 0.00 C ATOM 720 C PHE A 45 22.570 33.163 18.394 1.00 0.00 C ATOM 721 O PHE A 45 21.617 32.400 18.544 1.00 0.00 O ATOM 722 CB PHE A 45 24.071 32.095 16.721 1.00 0.00 C ATOM 723 CG PHE A 45 23.778 33.222 15.750 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.702 34.262 15.584 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.588 33.220 15.008 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.434 35.300 14.682 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.321 34.259 14.108 1.00 0.00 C ATOM 728 CZ PHE A 45 23.245 35.297 13.943 1.00 0.00 C ATOM 0 H PHE A 45 23.381 30.910 19.247 1.00 0.00 H new ATOM 0 HA PHE A 45 24.720 33.378 18.325 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.068 31.696 16.537 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.367 31.278 16.565 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.621 34.264 16.151 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.877 32.416 15.131 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.145 36.103 14.557 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.402 34.259 13.541 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.041 36.096 13.245 1.00 0.00 H new ATOM 738 N ALA A 46 22.435 34.483 18.442 1.00 0.00 N ATOM 739 CA ALA A 46 21.123 35.074 18.681 1.00 0.00 C ATOM 740 C ALA A 46 20.496 34.413 19.906 1.00 0.00 C ATOM 741 O ALA A 46 19.292 34.148 19.948 1.00 0.00 O ATOM 742 CB ALA A 46 20.228 34.879 17.457 1.00 0.00 C ATOM 0 H ALA A 46 23.197 35.151 18.322 1.00 0.00 H new ATOM 0 HA ALA A 46 21.230 36.144 18.861 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.251 35.324 17.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.685 35.360 16.592 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.109 33.814 17.259 1.00 0.00 H new ATOM 748 N GLY A 47 21.341 34.172 20.904 1.00 0.00 N ATOM 749 CA GLY A 47 20.923 33.562 22.161 1.00 0.00 C ATOM 750 C GLY A 47 20.400 32.134 21.999 1.00 0.00 C ATOM 751 O GLY A 47 19.845 31.573 22.944 1.00 0.00 O ATOM 0 H GLY A 47 22.336 34.395 20.863 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.766 33.556 22.851 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.145 34.177 22.614 1.00 0.00 H new ATOM 755 N LYS A 48 20.570 31.530 20.813 1.00 0.00 N ATOM 756 CA LYS A 48 20.089 30.153 20.585 1.00 0.00 C ATOM 757 C LYS A 48 21.228 29.202 20.219 1.00 0.00 C ATOM 758 O LYS A 48 22.156 29.568 19.498 1.00 0.00 O ATOM 759 CB LYS A 48 19.063 30.121 19.451 1.00 0.00 C ATOM 760 CG LYS A 48 17.820 30.916 19.844 1.00 0.00 C ATOM 761 CD LYS A 48 16.787 30.796 18.722 1.00 0.00 C ATOM 762 CE LYS A 48 15.528 31.584 19.086 1.00 0.00 C ATOM 763 NZ LYS A 48 14.527 31.448 17.989 1.00 0.00 N ATOM 0 H LYS A 48 21.027 31.961 20.009 1.00 0.00 H new ATOM 0 HA LYS A 48 19.636 29.825 21.521 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.499 30.539 18.544 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.789 29.090 19.227 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.408 30.536 20.779 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.077 31.962 20.011 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.205 31.173 17.789 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.536 29.748 18.558 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.111 31.213 20.022 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.775 32.634 19.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.669 31.983 18.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.928 31.822 17.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.285 30.445 17.862 1.00 0.00 H new ATOM 777 N GLN A 49 21.129 27.974 20.722 1.00 0.00 N ATOM 778 CA GLN A 49 22.127 26.950 20.453 1.00 0.00 C ATOM 779 C GLN A 49 21.834 26.284 19.110 1.00 0.00 C ATOM 780 O GLN A 49 20.702 25.886 18.844 1.00 0.00 O ATOM 781 CB GLN A 49 22.099 25.900 21.567 1.00 0.00 C ATOM 782 CG GLN A 49 23.289 24.952 21.416 1.00 0.00 C ATOM 783 CD GLN A 49 23.129 23.759 22.353 1.00 0.00 C ATOM 784 OE1 GLN A 49 23.358 22.554 21.905 1.00 0.00 O flip ATOM 785 NE2 GLN A 49 22.784 23.927 23.524 1.00 0.00 N flip ATOM 0 H GLN A 49 20.363 27.666 21.321 1.00 0.00 H new ATOM 0 HA GLN A 49 23.114 27.411 20.416 1.00 0.00 H new ATOM 0 HB2 GLN A 49 22.133 26.389 22.541 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.166 25.337 21.525 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.361 24.607 20.384 1.00 0.00 H new ATOM 0 HG3 GLN A 49 24.216 25.480 21.641 1.00 0.00 H new ATOM 0 HE21 GLN A 49 22.605 24.869 23.873 1.00 0.00 H new ATOM 0 HE22 GLN A 49 22.677 23.124 24.144 1.00 0.00 H new ATOM 794 N LEU A 50 22.856 26.172 18.268 1.00 0.00 N ATOM 795 CA LEU A 50 22.679 25.555 16.953 1.00 0.00 C ATOM 796 C LEU A 50 22.491 24.041 17.080 1.00 0.00 C ATOM 797 O LEU A 50 23.300 23.353 17.704 1.00 0.00 O ATOM 798 CB LEU A 50 23.884 25.865 16.064 1.00 0.00 C ATOM 799 CG LEU A 50 24.212 27.360 16.156 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.378 27.686 15.221 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.984 28.186 15.750 1.00 0.00 C ATOM 0 H LEU A 50 23.803 26.494 18.466 1.00 0.00 H new ATOM 0 HA LEU A 50 21.781 25.971 16.496 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.744 25.273 16.378 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.668 25.591 15.031 1.00 0.00 H new ATOM 0 HG LEU A 50 24.488 27.605 17.182 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.611 28.749 15.287 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.252 27.104 15.513 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.103 27.438 14.196 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.221 29.248 15.817 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.703 27.941 14.726 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.154 27.957 16.419 1.00 0.00 H new ATOM 813 N GLU A 51 21.405 23.539 16.492 1.00 0.00 N ATOM 814 CA GLU A 51 21.088 22.112 16.549 1.00 0.00 C ATOM 815 C GLU A 51 21.875 21.313 15.517 1.00 0.00 C ATOM 816 O GLU A 51 22.157 21.790 14.419 1.00 0.00 O ATOM 817 CB GLU A 51 19.587 21.904 16.303 1.00 0.00 C ATOM 818 CG GLU A 51 18.801 22.266 17.566 1.00 0.00 C ATOM 819 CD GLU A 51 17.310 22.021 17.348 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.973 21.379 16.366 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.528 22.480 18.164 1.00 0.00 O ATOM 0 H GLU A 51 20.730 24.099 15.971 1.00 0.00 H new ATOM 0 HA GLU A 51 21.365 21.755 17.541 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.257 22.522 15.468 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.394 20.867 16.028 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.156 21.670 18.407 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.971 23.312 17.822 1.00 0.00 H new ATOM 828 N ASP A 52 22.204 20.084 15.887 1.00 0.00 N ATOM 829 CA ASP A 52 22.938 19.198 15.006 1.00 0.00 C ATOM 830 C ASP A 52 22.038 18.704 13.872 1.00 0.00 C ATOM 831 O ASP A 52 20.823 18.590 14.038 1.00 0.00 O ATOM 832 CB ASP A 52 23.469 18.003 15.796 1.00 0.00 C ATOM 833 CG ASP A 52 24.491 18.472 16.826 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.420 19.162 16.438 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.329 18.137 17.987 1.00 0.00 O ATOM 0 H ASP A 52 21.972 19.680 16.794 1.00 0.00 H new ATOM 0 HA ASP A 52 23.774 19.750 14.577 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.646 17.492 16.295 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.928 17.283 15.118 1.00 0.00 H new ATOM 840 N GLY A 53 22.644 18.405 12.725 1.00 0.00 N ATOM 841 CA GLY A 53 21.895 17.913 11.570 1.00 0.00 C ATOM 842 C GLY A 53 21.327 19.056 10.728 1.00 0.00 C ATOM 843 O GLY A 53 20.822 18.828 9.628 1.00 0.00 O ATOM 0 H GLY A 53 23.648 18.494 12.570 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.546 17.296 10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.080 17.274 11.911 1.00 0.00 H new ATOM 847 N ARG A 54 21.415 20.290 11.234 1.00 0.00 N ATOM 848 CA ARG A 54 20.904 21.448 10.487 1.00 0.00 C ATOM 849 C ARG A 54 22.047 22.196 9.801 1.00 0.00 C ATOM 850 O ARG A 54 23.201 22.103 10.216 1.00 0.00 O ATOM 851 CB ARG A 54 20.164 22.399 11.430 1.00 0.00 C ATOM 852 CG ARG A 54 19.037 21.647 12.139 1.00 0.00 C ATOM 853 CD ARG A 54 18.103 22.649 12.820 1.00 0.00 C ATOM 854 NE ARG A 54 17.276 23.327 11.829 1.00 0.00 N ATOM 855 CZ ARG A 54 16.517 24.365 12.164 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.756 24.934 11.270 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.542 24.821 13.386 1.00 0.00 N ATOM 0 H ARG A 54 21.827 20.513 12.140 1.00 0.00 H new ATOM 0 HA ARG A 54 20.214 21.084 9.725 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.857 22.812 12.163 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.756 23.240 10.868 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.480 21.045 11.421 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.452 20.961 12.877 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.469 22.133 13.541 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.688 23.381 13.377 1.00 0.00 H new ATOM 0 HE ARG A 54 17.280 22.999 10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.743 24.582 10.313 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.174 25.731 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.143 24.381 14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.960 25.618 13.645 1.00 0.00 H new ATOM 871 N THR A 55 21.710 22.952 8.753 1.00 0.00 N ATOM 872 CA THR A 55 22.706 23.734 8.012 1.00 0.00 C ATOM 873 C THR A 55 22.668 25.185 8.473 1.00 0.00 C ATOM 874 O THR A 55 21.727 25.596 9.148 1.00 0.00 O ATOM 875 CB THR A 55 22.406 23.670 6.513 1.00 0.00 C ATOM 876 OG1 THR A 55 21.097 24.167 6.274 1.00 0.00 O ATOM 877 CG2 THR A 55 22.499 22.219 6.028 1.00 0.00 C ATOM 0 H THR A 55 20.758 23.040 8.398 1.00 0.00 H new ATOM 0 HA THR A 55 23.696 23.318 8.201 1.00 0.00 H new ATOM 0 HB THR A 55 23.132 24.276 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.735 24.547 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.285 22.178 4.960 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.504 21.838 6.211 1.00 0.00 H new ATOM 0 HG23 THR A 55 21.775 21.608 6.567 1.00 0.00 H new ATOM 885 N LEU A 56 23.682 25.969 8.111 1.00 0.00 N ATOM 886 CA LEU A 56 23.701 27.372 8.517 1.00 0.00 C ATOM 887 C LEU A 56 22.473 28.094 7.951 1.00 0.00 C ATOM 888 O LEU A 56 21.892 28.941 8.627 1.00 0.00 O ATOM 889 CB LEU A 56 25.010 28.066 8.060 1.00 0.00 C ATOM 890 CG LEU A 56 26.060 28.050 9.189 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.506 26.608 9.462 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.271 28.895 8.770 1.00 0.00 C ATOM 0 H LEU A 56 24.481 25.668 7.553 1.00 0.00 H new ATOM 0 HA LEU A 56 23.666 27.420 9.605 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.407 27.560 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.799 29.095 7.768 1.00 0.00 H new ATOM 0 HG LEU A 56 25.623 28.466 10.097 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.248 26.602 10.260 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.645 26.011 9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.943 26.185 8.557 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.015 28.885 9.567 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.707 28.480 7.861 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.952 29.921 8.584 1.00 0.00 H new ATOM 904 N SER A 57 22.089 27.771 6.712 1.00 0.00 N ATOM 905 CA SER A 57 20.933 28.419 6.096 1.00 0.00 C ATOM 906 C SER A 57 19.748 28.399 7.048 1.00 0.00 C ATOM 907 O SER A 57 18.963 29.346 7.096 1.00 0.00 O ATOM 908 CB SER A 57 20.548 27.706 4.797 1.00 0.00 C ATOM 909 OG SER A 57 20.174 26.366 5.092 1.00 0.00 O ATOM 0 H SER A 57 22.554 27.077 6.127 1.00 0.00 H new ATOM 0 HA SER A 57 21.202 29.452 5.873 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.723 28.228 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.386 27.717 4.100 1.00 0.00 H new ATOM 0 HG SER A 57 20.914 25.912 5.547 1.00 0.00 H new ATOM 915 N ASP A 58 19.631 27.322 7.820 1.00 0.00 N ATOM 916 CA ASP A 58 18.543 27.208 8.776 1.00 0.00 C ATOM 917 C ASP A 58 18.592 28.391 9.733 1.00 0.00 C ATOM 918 O ASP A 58 17.577 29.034 10.005 1.00 0.00 O ATOM 919 CB ASP A 58 18.675 25.900 9.566 1.00 0.00 C ATOM 920 CG ASP A 58 18.622 24.701 8.622 1.00 0.00 C ATOM 921 OD1 ASP A 58 19.674 24.283 8.166 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.529 24.224 8.364 1.00 0.00 O ATOM 0 H ASP A 58 20.270 26.527 7.801 1.00 0.00 H new ATOM 0 HA ASP A 58 17.592 27.205 8.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.614 25.895 10.119 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.873 25.829 10.300 1.00 0.00 H new ATOM 927 N TYR A 59 19.797 28.678 10.215 1.00 0.00 N ATOM 928 CA TYR A 59 20.034 29.794 11.129 1.00 0.00 C ATOM 929 C TYR A 59 20.546 31.004 10.347 1.00 0.00 C ATOM 930 O TYR A 59 21.693 31.001 9.935 1.00 0.00 O ATOM 931 CB TYR A 59 21.100 29.383 12.147 1.00 0.00 C ATOM 932 CG TYR A 59 20.570 28.278 13.030 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.012 26.958 12.852 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.640 28.574 14.031 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.520 25.938 13.679 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.148 27.555 14.855 1.00 0.00 C ATOM 937 CZ TYR A 59 19.588 26.238 14.679 1.00 0.00 C ATOM 938 OH TYR A 59 19.102 25.235 15.493 1.00 0.00 O ATOM 0 H TYR A 59 20.636 28.146 9.985 1.00 0.00 H new ATOM 0 HA TYR A 59 19.103 30.052 11.634 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.999 29.047 11.630 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.384 30.242 12.755 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.730 26.728 12.079 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.301 29.590 14.169 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.860 24.922 13.544 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.429 27.785 15.627 1.00 0.00 H new ATOM 0 HH TYR A 59 18.465 25.614 16.134 1.00 0.00 H new ATOM 948 N ASN A 60 19.669 31.989 10.100 1.00 0.00 N ATOM 949 CA ASN A 60 20.026 33.187 9.309 1.00 0.00 C ATOM 950 C ASN A 60 21.353 33.845 9.742 1.00 0.00 C ATOM 951 O ASN A 60 21.377 35.005 10.154 1.00 0.00 O ATOM 952 CB ASN A 60 18.898 34.223 9.389 1.00 0.00 C ATOM 953 CG ASN A 60 18.586 34.559 10.846 1.00 0.00 C ATOM 954 OD1 ASN A 60 19.380 34.255 11.735 1.00 0.00 O ATOM 955 ND2 ASN A 60 17.474 35.177 11.142 1.00 0.00 N ATOM 0 H ASN A 60 18.706 31.984 10.435 1.00 0.00 H new ATOM 0 HA ASN A 60 20.164 32.842 8.284 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.188 35.128 8.855 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.005 33.836 8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.262 35.409 12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.818 35.428 10.403 1.00 0.00 H new ATOM 962 N ILE A 61 22.444 33.091 9.622 1.00 0.00 N ATOM 963 CA ILE A 61 23.784 33.567 9.967 1.00 0.00 C ATOM 964 C ILE A 61 24.482 34.026 8.688 1.00 0.00 C ATOM 965 O ILE A 61 24.971 33.199 7.920 1.00 0.00 O ATOM 966 CB ILE A 61 24.591 32.420 10.588 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.951 31.975 11.905 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.028 32.878 10.851 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.602 30.666 12.360 1.00 0.00 C ATOM 0 H ILE A 61 22.424 32.130 9.282 1.00 0.00 H new ATOM 0 HA ILE A 61 23.712 34.390 10.678 1.00 0.00 H new ATOM 0 HB ILE A 61 24.597 31.581 9.892 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.082 32.745 12.666 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.878 31.836 11.774 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.596 32.059 11.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.492 33.177 9.911 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.020 33.725 11.537 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.151 30.342 13.298 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.448 29.900 11.600 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.671 30.823 12.506 1.00 0.00 H new ATOM 981 N GLN A 62 24.516 35.333 8.439 1.00 0.00 N ATOM 982 CA GLN A 62 25.141 35.843 7.214 1.00 0.00 C ATOM 983 C GLN A 62 26.649 35.995 7.354 1.00 0.00 C ATOM 984 O GLN A 62 27.212 35.845 8.438 1.00 0.00 O ATOM 985 CB GLN A 62 24.529 37.186 6.821 1.00 0.00 C ATOM 986 CG GLN A 62 23.011 37.042 6.704 1.00 0.00 C ATOM 987 CD GLN A 62 22.664 36.160 5.510 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.990 36.497 4.371 1.00 0.00 O ATOM 989 NE2 GLN A 62 22.015 35.045 5.702 1.00 0.00 N ATOM 0 H GLN A 62 24.127 36.049 9.053 1.00 0.00 H new ATOM 0 HA GLN A 62 24.950 35.107 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.777 37.942 7.566 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.947 37.524 5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.607 36.607 7.618 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.552 38.024 6.588 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.746 34.768 6.646 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.777 34.450 4.908 1.00 0.00 H new ATOM 998 N LYS A 63 27.291 36.294 6.226 1.00 0.00 N ATOM 999 CA LYS A 63 28.738 36.455 6.195 1.00 0.00 C ATOM 1000 C LYS A 63 29.211 37.542 7.155 1.00 0.00 C ATOM 1001 O LYS A 63 28.543 38.560 7.359 1.00 0.00 O ATOM 1002 CB LYS A 63 29.219 36.761 4.766 1.00 0.00 C ATOM 1003 CG LYS A 63 28.675 38.104 4.264 1.00 0.00 C ATOM 1004 CD LYS A 63 29.009 38.238 2.772 1.00 0.00 C ATOM 1005 CE LYS A 63 28.675 39.649 2.279 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.202 39.861 2.335 1.00 0.00 N ATOM 0 H LYS A 63 26.831 36.429 5.326 1.00 0.00 H new ATOM 0 HA LYS A 63 29.175 35.512 6.523 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.309 36.778 4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.899 35.964 4.095 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.597 38.157 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.118 38.926 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.066 38.029 2.608 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.446 37.502 2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.183 40.391 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.034 39.783 1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.962 40.755 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.720 39.074 1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.895 39.902 3.328 1.00 0.00 H new ATOM 1020 N GLU A 64 30.390 37.308 7.723 1.00 0.00 N ATOM 1021 CA GLU A 64 31.010 38.243 8.654 1.00 0.00 C ATOM 1022 C GLU A 64 30.123 38.529 9.865 1.00 0.00 C ATOM 1023 O GLU A 64 29.624 39.642 10.032 1.00 0.00 O ATOM 1024 CB GLU A 64 31.363 39.543 7.932 1.00 0.00 C ATOM 1025 CG GLU A 64 32.426 39.244 6.871 1.00 0.00 C ATOM 1026 CD GLU A 64 32.774 40.511 6.099 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.320 41.419 6.705 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.494 40.553 4.913 1.00 0.00 O ATOM 0 H GLU A 64 30.941 36.467 7.551 1.00 0.00 H new ATOM 0 HA GLU A 64 31.921 37.777 9.029 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.475 39.970 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.736 40.280 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.321 38.842 7.346 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.060 38.481 6.184 1.00 0.00 H new ATOM 1049 N THR A 66 29.656 37.472 14.351 1.00 0.00 N ATOM 1050 CA THR A 66 30.409 36.985 15.513 1.00 0.00 C ATOM 1051 C THR A 66 29.664 35.849 16.207 1.00 0.00 C ATOM 1052 O THR A 66 28.518 36.007 16.632 1.00 0.00 O ATOM 1053 CB THR A 66 30.637 38.124 16.509 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.431 39.131 15.897 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.362 37.581 17.745 1.00 0.00 C ATOM 0 HA THR A 66 31.370 36.611 15.159 1.00 0.00 H new ATOM 0 HB THR A 66 29.678 38.548 16.808 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.287 39.117 14.928 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.526 38.391 18.456 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.755 36.806 18.212 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.322 37.160 17.448 1.00 0.00 H new ATOM 1063 N LEU A 67 30.331 34.700 16.323 1.00 0.00 N ATOM 1064 CA LEU A 67 29.744 33.526 16.975 1.00 0.00 C ATOM 1065 C LEU A 67 30.293 33.407 18.396 1.00 0.00 C ATOM 1066 O LEU A 67 31.460 33.720 18.637 1.00 0.00 O ATOM 1067 CB LEU A 67 30.103 32.258 16.175 1.00 0.00 C ATOM 1068 CG LEU A 67 29.106 32.054 15.022 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.722 31.643 15.574 1.00 0.00 C ATOM 1070 CD2 LEU A 67 28.985 33.359 14.217 1.00 0.00 C ATOM 0 H LEU A 67 31.279 34.556 15.974 1.00 0.00 H new ATOM 0 HA LEU A 67 28.660 33.634 17.012 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.115 32.344 15.779 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.091 31.389 16.833 1.00 0.00 H new ATOM 0 HG LEU A 67 29.469 31.258 14.372 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.027 31.502 14.746 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.815 30.711 16.132 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.347 32.425 16.234 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.279 33.218 13.399 1.00 0.00 H new ATOM 0 HD22 LEU A 67 28.630 34.157 14.869 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.960 33.628 13.812 1.00 0.00 H new ATOM 1082 N HIS A 68 29.463 32.947 19.338 1.00 0.00 N ATOM 1083 CA HIS A 68 29.911 32.793 20.721 1.00 0.00 C ATOM 1084 C HIS A 68 30.305 31.336 20.987 1.00 0.00 C ATOM 1085 O HIS A 68 29.493 30.426 20.809 1.00 0.00 O ATOM 1086 CB HIS A 68 28.793 33.204 21.680 1.00 0.00 C ATOM 1087 CG HIS A 68 28.555 34.685 21.567 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.589 35.218 20.726 1.00 0.00 N ATOM 1089 CD2 HIS A 68 29.150 35.761 22.180 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.630 36.558 20.857 1.00 0.00 C ATOM 1091 NE2 HIS A 68 28.565 36.941 21.730 1.00 0.00 N ATOM 0 H HIS A 68 28.493 32.679 19.170 1.00 0.00 H new ATOM 0 HA HIS A 68 30.778 33.434 20.882 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.879 32.659 21.445 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.064 32.945 22.704 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.951 35.700 22.902 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.985 37.239 20.321 1.00 0.00 H new ATOM 0 HE2 HIS A 68 28.800 37.894 22.008 1.00 0.00 H new ATOM 1100 N LEU A 69 31.553 31.110 21.421 1.00 0.00 N ATOM 1101 CA LEU A 69 32.037 29.776 21.712 1.00 0.00 C ATOM 1102 C LEU A 69 32.186 29.632 23.213 1.00 0.00 C ATOM 1103 O LEU A 69 33.035 30.265 23.838 1.00 0.00 O ATOM 1104 CB LEU A 69 33.383 29.552 21.019 1.00 0.00 C ATOM 1105 CG LEU A 69 33.728 28.048 20.988 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.989 27.829 20.146 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.973 27.531 22.418 1.00 0.00 C ATOM 0 H LEU A 69 32.241 31.847 21.575 1.00 0.00 H new ATOM 0 HA LEU A 69 31.332 29.031 21.343 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.346 29.944 20.003 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.165 30.100 21.544 1.00 0.00 H new ATOM 0 HG LEU A 69 32.893 27.502 20.549 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.232 26.767 20.124 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.814 28.182 19.130 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.820 28.383 20.584 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.216 26.469 22.384 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.802 28.079 22.866 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.075 27.679 23.017 1.00 0.00 H new ATOM 1119 N VAL A 70 31.344 28.788 23.772 1.00 0.00 N ATOM 1120 CA VAL A 70 31.346 28.520 25.208 1.00 0.00 C ATOM 1121 C VAL A 70 31.752 27.073 25.461 1.00 0.00 C ATOM 1122 O VAL A 70 31.433 26.183 24.673 1.00 0.00 O ATOM 1123 CB VAL A 70 29.953 28.783 25.779 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.961 28.546 27.288 1.00 0.00 C ATOM 1125 CG2 VAL A 70 29.554 30.234 25.492 1.00 0.00 C ATOM 0 H VAL A 70 30.638 28.266 23.252 1.00 0.00 H new ATOM 0 HA VAL A 70 32.062 29.178 25.699 1.00 0.00 H new ATOM 0 HB VAL A 70 29.237 28.106 25.313 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.966 28.735 27.691 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.246 27.514 27.493 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.677 29.220 27.758 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.561 30.425 25.898 1.00 0.00 H new ATOM 0 HG22 VAL A 70 30.273 30.908 25.958 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.545 30.403 24.415 1.00 0.00 H new