USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 7:sc= 0.914 USER MOD Set 1.2: A 57 SER OG : rot -47:sc= 0.0067 USER MOD Set 2.1: A 22 THR OG1 : rot -86:sc= 0.968 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.0694 K(o=1,f=-1.4!) USER MOD Set 3.1: A 7 THR OG1 : rot -160:sc= 0.605 USER MOD Set 3.2: A 9 THR OG1 : rot -31:sc= 0.622 USER MOD Single : A 1 MET CE :methyl -158:sc= 0 (180deg=-0.377) USER MOD Single : A 1 MET N :NH3+ 151:sc= 1.21 (180deg=0.263) USER MOD Single : A 2 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -0.269 (180deg=-0.501) USER MOD Single : A 11 LYS NZ :NH3+ 163:sc= -0.0262 (180deg=-0.341) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -82:sc= 1.65 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 0.765 (180deg=0.217) USER MOD Single : A 29 LYS NZ :NH3+ 166:sc= -0.0107 (180deg=-0.262) USER MOD Single : A 31 GLN : amide:sc= -0.974 K(o=-0.97,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ -121:sc= 0.177 (180deg=-1.82!) USER MOD Single : A 40 GLN : amide:sc= -1.35 X(o=-1.4,f=-1.6) USER MOD Single : A 41 GLN : amide:sc= -4.48 X(o=-4.5,f=-4.6) USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.04 (180deg=-0.533) USER MOD Single : A 49 GLN : amide:sc= -7.65! C(o=-7.7!,f=-13!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.482 USER MOD Single : A 60 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.12) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0633) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0311 X(o=-0.031,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.669 30.333 2.174 1.00 0.00 N ATOM 2 CA MET A 1 32.822 31.687 2.778 1.00 0.00 C ATOM 3 C MET A 1 33.613 31.573 4.074 1.00 0.00 C ATOM 4 O MET A 1 33.786 30.480 4.612 1.00 0.00 O ATOM 5 CB MET A 1 31.438 32.282 3.058 1.00 0.00 C ATOM 6 CG MET A 1 30.691 31.409 4.071 1.00 0.00 C ATOM 7 SD MET A 1 28.986 32.007 4.238 1.00 0.00 S ATOM 8 CE MET A 1 28.695 31.450 5.938 1.00 0.00 C ATOM 0 H1 MET A 1 31.788 30.296 1.623 1.00 0.00 H new ATOM 0 H2 MET A 1 33.477 30.139 1.548 1.00 0.00 H new ATOM 0 H3 MET A 1 32.636 29.618 2.929 1.00 0.00 H new ATOM 0 HA MET A 1 33.356 32.340 2.088 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.540 33.296 3.444 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.867 32.349 2.132 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.693 30.369 3.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.195 31.440 5.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.623 31.358 6.112 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.171 30.481 6.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.115 32.175 6.635 1.00 0.00 H new ATOM 20 N GLN A 2 34.094 32.710 4.577 1.00 0.00 N ATOM 21 CA GLN A 2 34.870 32.738 5.815 1.00 0.00 C ATOM 22 C GLN A 2 34.147 33.563 6.878 1.00 0.00 C ATOM 23 O GLN A 2 33.316 34.414 6.563 1.00 0.00 O ATOM 24 CB GLN A 2 36.243 33.356 5.542 1.00 0.00 C ATOM 25 CG GLN A 2 37.038 32.453 4.595 1.00 0.00 C ATOM 26 CD GLN A 2 38.392 33.085 4.288 1.00 0.00 C ATOM 27 OE1 GLN A 2 39.487 32.446 4.600 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 38.455 34.191 3.751 1.00 0.00 N flip ATOM 0 H GLN A 2 33.959 33.624 4.145 1.00 0.00 H new ATOM 0 HA GLN A 2 34.988 31.717 6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.125 34.346 5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.787 33.485 6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.179 31.472 5.048 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.480 32.300 3.671 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.599 34.689 3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 2 39.363 34.609 3.549 1.00 0.00 H new ATOM 37 N ILE A 3 34.498 33.320 8.137 1.00 0.00 N ATOM 38 CA ILE A 3 33.908 34.059 9.253 1.00 0.00 C ATOM 39 C ILE A 3 34.859 34.064 10.435 1.00 0.00 C ATOM 40 O ILE A 3 35.889 33.395 10.420 1.00 0.00 O ATOM 41 CB ILE A 3 32.551 33.473 9.678 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.671 31.947 9.877 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.490 33.799 8.614 1.00 0.00 C ATOM 44 CD1 ILE A 3 31.279 31.306 9.919 1.00 0.00 C ATOM 0 H ILE A 3 35.186 32.619 8.412 1.00 0.00 H new ATOM 0 HA ILE A 3 33.737 35.081 8.914 1.00 0.00 H new ATOM 0 HB ILE A 3 32.246 33.919 10.625 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.255 31.512 9.066 1.00 0.00 H new ATOM 0 HG13 ILE A 3 33.205 31.735 10.803 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.530 33.382 8.918 1.00 0.00 H new ATOM 0 HG22 ILE A 3 31.400 34.880 8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.787 33.366 7.659 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.378 30.230 10.060 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.708 31.729 10.746 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.759 31.503 8.981 1.00 0.00 H new ATOM 56 N PHE A 4 34.501 34.830 11.460 1.00 0.00 N ATOM 57 CA PHE A 4 35.325 34.939 12.662 1.00 0.00 C ATOM 58 C PHE A 4 34.616 34.319 13.856 1.00 0.00 C ATOM 59 O PHE A 4 33.408 34.485 14.026 1.00 0.00 O ATOM 60 CB PHE A 4 35.601 36.413 12.957 1.00 0.00 C ATOM 61 CG PHE A 4 36.417 37.018 11.840 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.776 37.660 10.774 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.815 36.947 11.875 1.00 0.00 C ATOM 64 CE1 PHE A 4 36.532 38.232 9.743 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.571 37.517 10.843 1.00 0.00 C ATOM 66 CZ PHE A 4 37.929 38.160 9.777 1.00 0.00 C ATOM 0 H PHE A 4 33.646 35.385 11.484 1.00 0.00 H new ATOM 0 HA PHE A 4 36.261 34.408 12.490 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.661 36.953 13.065 1.00 0.00 H new ATOM 0 HB3 PHE A 4 36.135 36.510 13.902 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.698 37.714 10.747 1.00 0.00 H new ATOM 0 HD2 PHE A 4 38.310 36.453 12.698 1.00 0.00 H new ATOM 0 HE1 PHE A 4 36.037 38.729 8.922 1.00 0.00 H new ATOM 0 HE2 PHE A 4 39.649 37.461 10.869 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.512 38.600 8.982 1.00 0.00 H new ATOM 76 N VAL A 5 35.381 33.622 14.698 1.00 0.00 N ATOM 77 CA VAL A 5 34.831 32.998 15.898 1.00 0.00 C ATOM 78 C VAL A 5 35.461 33.636 17.124 1.00 0.00 C ATOM 79 O VAL A 5 36.683 33.730 17.239 1.00 0.00 O ATOM 80 CB VAL A 5 35.099 31.489 15.882 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.880 30.900 17.283 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.131 30.821 14.903 1.00 0.00 C ATOM 0 H VAL A 5 36.382 33.477 14.569 1.00 0.00 H new ATOM 0 HA VAL A 5 33.752 33.151 15.926 1.00 0.00 H new ATOM 0 HB VAL A 5 36.130 31.311 15.575 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.073 29.827 17.261 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.560 31.377 17.989 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.851 31.077 17.595 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.315 29.747 14.885 1.00 0.00 H new ATOM 0 HG22 VAL A 5 33.105 31.008 15.221 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.282 31.231 13.905 1.00 0.00 H new ATOM 92 N LYS A 6 34.606 34.087 18.026 1.00 0.00 N ATOM 93 CA LYS A 6 35.049 34.747 19.251 1.00 0.00 C ATOM 94 C LYS A 6 34.812 33.850 20.463 1.00 0.00 C ATOM 95 O LYS A 6 33.713 33.321 20.643 1.00 0.00 O ATOM 96 CB LYS A 6 34.259 36.048 19.414 1.00 0.00 C ATOM 97 CG LYS A 6 35.031 37.024 20.298 1.00 0.00 C ATOM 98 CD LYS A 6 34.162 38.257 20.553 1.00 0.00 C ATOM 99 CE LYS A 6 34.945 39.284 21.370 1.00 0.00 C ATOM 100 NZ LYS A 6 35.324 38.690 22.683 1.00 0.00 N ATOM 0 H LYS A 6 33.593 34.009 17.935 1.00 0.00 H new ATOM 0 HA LYS A 6 36.117 34.955 19.183 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.076 36.496 18.437 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.285 35.838 19.856 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.296 36.548 21.242 1.00 0.00 H new ATOM 0 HG3 LYS A 6 35.964 37.314 19.814 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.850 38.695 19.605 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.255 37.970 21.086 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.838 39.592 20.827 1.00 0.00 H new ATOM 0 HE3 LYS A 6 34.341 40.178 21.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 35.657 39.441 23.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 34.497 38.221 23.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 36.083 37.993 22.543 1.00 0.00 H new ATOM 114 N THR A 7 35.842 33.686 21.297 1.00 0.00 N ATOM 115 CA THR A 7 35.725 32.852 22.498 1.00 0.00 C ATOM 116 C THR A 7 35.680 33.725 23.747 1.00 0.00 C ATOM 117 O THR A 7 35.747 34.953 23.667 1.00 0.00 O ATOM 118 CB THR A 7 36.910 31.886 22.593 1.00 0.00 C ATOM 119 OG1 THR A 7 38.056 32.583 23.058 1.00 0.00 O ATOM 120 CG2 THR A 7 37.198 31.283 21.216 1.00 0.00 C ATOM 0 H THR A 7 36.758 34.115 21.166 1.00 0.00 H new ATOM 0 HA THR A 7 34.800 32.279 22.428 1.00 0.00 H new ATOM 0 HB THR A 7 36.666 31.085 23.291 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.863 32.078 22.825 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.042 30.597 21.289 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.319 30.742 20.865 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.438 32.080 20.513 1.00 0.00 H new ATOM 128 N LEU A 8 35.588 33.091 24.906 1.00 0.00 N ATOM 129 CA LEU A 8 35.547 33.836 26.159 1.00 0.00 C ATOM 130 C LEU A 8 36.912 34.451 26.476 1.00 0.00 C ATOM 131 O LEU A 8 36.999 35.458 27.179 1.00 0.00 O ATOM 132 CB LEU A 8 35.108 32.909 27.311 1.00 0.00 C ATOM 133 CG LEU A 8 34.688 33.745 28.530 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.215 34.147 28.407 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.883 32.925 29.816 1.00 0.00 C ATOM 0 H LEU A 8 35.541 32.077 25.007 1.00 0.00 H new ATOM 0 HA LEU A 8 34.824 34.644 26.051 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.278 32.281 26.987 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.925 32.241 27.582 1.00 0.00 H new ATOM 0 HG LEU A 8 35.306 34.642 28.571 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.926 34.739 29.275 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.073 34.737 27.502 1.00 0.00 H new ATOM 0 HD13 LEU A 8 32.596 33.251 28.357 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.584 33.522 30.677 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.271 32.024 29.769 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.932 32.647 29.914 1.00 0.00 H new ATOM 147 N THR A 9 37.980 33.841 25.968 1.00 0.00 N ATOM 148 CA THR A 9 39.324 34.348 26.230 1.00 0.00 C ATOM 149 C THR A 9 39.643 35.533 25.324 1.00 0.00 C ATOM 150 O THR A 9 40.782 35.999 25.282 1.00 0.00 O ATOM 151 CB THR A 9 40.363 33.243 26.010 1.00 0.00 C ATOM 152 OG1 THR A 9 40.386 32.877 24.638 1.00 0.00 O ATOM 153 CG2 THR A 9 40.005 32.023 26.859 1.00 0.00 C ATOM 0 H THR A 9 37.943 33.007 25.381 1.00 0.00 H new ATOM 0 HA THR A 9 39.362 34.678 27.268 1.00 0.00 H new ATOM 0 HB THR A 9 41.346 33.610 26.303 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.491 32.988 24.255 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.746 31.239 26.700 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.993 32.303 27.912 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.020 31.655 26.571 1.00 0.00 H new ATOM 161 N GLY A 10 38.633 36.035 24.615 1.00 0.00 N ATOM 162 CA GLY A 10 38.834 37.176 23.731 1.00 0.00 C ATOM 163 C GLY A 10 39.714 36.800 22.545 1.00 0.00 C ATOM 164 O GLY A 10 40.324 37.663 21.914 1.00 0.00 O ATOM 0 H GLY A 10 37.680 35.673 24.636 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.870 37.537 23.373 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.295 37.993 24.286 1.00 0.00 H new ATOM 168 N LYS A 11 39.763 35.508 22.234 1.00 0.00 N ATOM 169 CA LYS A 11 40.558 35.029 21.105 1.00 0.00 C ATOM 170 C LYS A 11 39.708 35.060 19.842 1.00 0.00 C ATOM 171 O LYS A 11 38.562 34.604 19.848 1.00 0.00 O ATOM 172 CB LYS A 11 41.036 33.598 21.361 1.00 0.00 C ATOM 173 CG LYS A 11 42.115 33.218 20.339 1.00 0.00 C ATOM 174 CD LYS A 11 42.731 31.869 20.726 1.00 0.00 C ATOM 175 CE LYS A 11 43.747 31.440 19.664 1.00 0.00 C ATOM 176 NZ LYS A 11 44.883 32.405 19.645 1.00 0.00 N ATOM 0 H LYS A 11 39.266 34.777 22.743 1.00 0.00 H new ATOM 0 HA LYS A 11 41.427 35.675 20.984 1.00 0.00 H new ATOM 0 HB2 LYS A 11 41.434 33.514 22.372 1.00 0.00 H new ATOM 0 HB3 LYS A 11 40.196 32.907 21.291 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.681 33.159 19.341 1.00 0.00 H new ATOM 0 HG3 LYS A 11 42.887 33.987 20.306 1.00 0.00 H new ATOM 0 HD2 LYS A 11 43.218 31.947 21.698 1.00 0.00 H new ATOM 0 HD3 LYS A 11 41.949 31.115 20.820 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.112 30.436 19.879 1.00 0.00 H new ATOM 0 HE3 LYS A 11 43.271 31.403 18.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 45.693 31.979 19.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 44.593 33.273 19.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 45.157 32.638 20.621 1.00 0.00 H new ATOM 190 N THR A 12 40.274 35.581 18.754 1.00 0.00 N ATOM 191 CA THR A 12 39.561 35.655 17.480 1.00 0.00 C ATOM 192 C THR A 12 40.297 34.836 16.435 1.00 0.00 C ATOM 193 O THR A 12 41.478 35.057 16.169 1.00 0.00 O ATOM 194 CB THR A 12 39.462 37.109 17.004 1.00 0.00 C ATOM 195 OG1 THR A 12 38.877 37.901 18.027 1.00 0.00 O ATOM 196 CG2 THR A 12 38.589 37.171 15.743 1.00 0.00 C ATOM 0 H THR A 12 41.222 35.957 18.729 1.00 0.00 H new ATOM 0 HA THR A 12 38.556 35.258 17.621 1.00 0.00 H new ATOM 0 HB THR A 12 40.458 37.490 16.776 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.814 38.831 17.725 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.516 38.203 15.401 1.00 0.00 H new ATOM 0 HG22 THR A 12 39.038 36.560 14.959 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.592 36.793 15.971 1.00 0.00 H new ATOM 204 N ILE A 13 39.584 33.889 15.845 1.00 0.00 N ATOM 205 CA ILE A 13 40.162 33.028 14.814 1.00 0.00 C ATOM 206 C ILE A 13 39.212 32.914 13.639 1.00 0.00 C ATOM 207 O ILE A 13 37.993 32.860 13.811 1.00 0.00 O ATOM 208 CB ILE A 13 40.459 31.644 15.385 1.00 0.00 C ATOM 209 CG1 ILE A 13 39.234 31.137 16.142 1.00 0.00 C ATOM 210 CG2 ILE A 13 41.651 31.730 16.339 1.00 0.00 C ATOM 211 CD1 ILE A 13 39.503 29.724 16.665 1.00 0.00 C ATOM 0 H ILE A 13 38.606 33.694 16.059 1.00 0.00 H new ATOM 0 HA ILE A 13 41.097 33.472 14.471 1.00 0.00 H new ATOM 0 HB ILE A 13 40.696 30.957 14.573 1.00 0.00 H new ATOM 0 HG12 ILE A 13 39.004 31.805 16.972 1.00 0.00 H new ATOM 0 HG13 ILE A 13 38.364 31.133 15.485 1.00 0.00 H new ATOM 0 HG21 ILE A 13 41.863 30.742 16.747 1.00 0.00 H new ATOM 0 HG22 ILE A 13 42.524 32.094 15.798 1.00 0.00 H new ATOM 0 HG23 ILE A 13 41.417 32.416 17.153 1.00 0.00 H new ATOM 0 HD11 ILE A 13 38.628 29.363 17.205 1.00 0.00 H new ATOM 0 HD12 ILE A 13 39.711 29.059 15.827 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.362 29.742 17.336 1.00 0.00 H new ATOM 223 N THR A 14 39.777 32.882 12.441 1.00 0.00 N ATOM 224 CA THR A 14 38.969 32.779 11.228 1.00 0.00 C ATOM 225 C THR A 14 38.867 31.329 10.776 1.00 0.00 C ATOM 226 O THR A 14 39.847 30.582 10.806 1.00 0.00 O ATOM 227 CB THR A 14 39.575 33.639 10.118 1.00 0.00 C ATOM 228 OG1 THR A 14 39.999 34.878 10.669 1.00 0.00 O ATOM 229 CG2 THR A 14 38.516 33.893 9.037 1.00 0.00 C ATOM 0 H THR A 14 40.783 32.925 12.280 1.00 0.00 H new ATOM 0 HA THR A 14 37.965 33.143 11.447 1.00 0.00 H new ATOM 0 HB THR A 14 40.428 33.125 9.675 1.00 0.00 H new ATOM 0 HG1 THR A 14 39.233 35.485 10.737 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.945 34.506 8.244 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.185 32.941 8.621 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.665 34.412 9.477 1.00 0.00 H new ATOM 237 N LEU A 15 37.663 30.945 10.364 1.00 0.00 N ATOM 238 CA LEU A 15 37.385 29.582 9.908 1.00 0.00 C ATOM 239 C LEU A 15 36.819 29.610 8.485 1.00 0.00 C ATOM 240 O LEU A 15 36.081 30.526 8.115 1.00 0.00 O ATOM 241 CB LEU A 15 36.357 28.943 10.873 1.00 0.00 C ATOM 242 CG LEU A 15 37.021 27.924 11.811 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.103 28.611 12.661 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.950 27.332 12.734 1.00 0.00 C ATOM 0 H LEU A 15 36.854 31.565 10.336 1.00 0.00 H new ATOM 0 HA LEU A 15 38.305 28.997 9.902 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.877 29.723 11.464 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.573 28.452 10.297 1.00 0.00 H new ATOM 0 HG LEU A 15 37.486 27.136 11.219 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.566 27.878 13.322 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.862 29.040 12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.649 29.402 13.258 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.409 26.606 13.405 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.493 28.130 13.319 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.185 26.838 12.134 1.00 0.00 H new ATOM 256 N GLU A 16 37.142 28.578 7.707 1.00 0.00 N ATOM 257 CA GLU A 16 36.637 28.465 6.335 1.00 0.00 C ATOM 258 C GLU A 16 35.510 27.444 6.315 1.00 0.00 C ATOM 259 O GLU A 16 35.707 26.285 6.675 1.00 0.00 O ATOM 260 CB GLU A 16 37.752 28.025 5.373 1.00 0.00 C ATOM 261 CG GLU A 16 39.026 28.823 5.655 1.00 0.00 C ATOM 262 CD GLU A 16 40.139 28.375 4.713 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.991 28.573 3.518 1.00 0.00 O ATOM 264 OE2 GLU A 16 41.120 27.841 5.202 1.00 0.00 O ATOM 0 H GLU A 16 37.748 27.811 7.999 1.00 0.00 H new ATOM 0 HA GLU A 16 36.273 29.439 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.946 26.959 5.491 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.436 28.179 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.835 29.888 5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 16 39.334 28.679 6.691 1.00 0.00 H new ATOM 271 N VAL A 17 34.319 27.881 5.913 1.00 0.00 N ATOM 272 CA VAL A 17 33.166 26.981 5.874 1.00 0.00 C ATOM 273 C VAL A 17 32.255 27.288 4.692 1.00 0.00 C ATOM 274 O VAL A 17 32.328 28.358 4.089 1.00 0.00 O ATOM 275 CB VAL A 17 32.379 27.070 7.199 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.349 27.294 8.364 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.383 28.231 7.158 1.00 0.00 C ATOM 0 H VAL A 17 34.127 28.837 5.614 1.00 0.00 H new ATOM 0 HA VAL A 17 33.538 25.964 5.747 1.00 0.00 H new ATOM 0 HB VAL A 17 31.836 26.135 7.337 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.789 27.356 9.297 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.052 26.462 8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.897 28.223 8.207 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.838 28.277 8.101 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.921 29.166 7.004 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.679 28.078 6.340 1.00 0.00 H new ATOM 287 N GLU A 18 31.371 26.339 4.392 1.00 0.00 N ATOM 288 CA GLU A 18 30.407 26.492 3.309 1.00 0.00 C ATOM 289 C GLU A 18 29.040 26.834 3.905 1.00 0.00 C ATOM 290 O GLU A 18 28.740 26.437 5.032 1.00 0.00 O ATOM 291 CB GLU A 18 30.312 25.184 2.514 1.00 0.00 C ATOM 292 CG GLU A 18 31.604 24.968 1.724 1.00 0.00 C ATOM 293 CD GLU A 18 31.564 23.613 1.025 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.581 22.911 1.193 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.519 23.297 0.334 1.00 0.00 O ATOM 0 H GLU A 18 31.304 25.451 4.889 1.00 0.00 H new ATOM 0 HA GLU A 18 30.727 27.291 2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.144 24.347 3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.460 25.221 1.835 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.728 25.763 0.989 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.463 25.016 2.394 1.00 0.00 H new ATOM 302 N PRO A 19 28.213 27.557 3.196 1.00 0.00 N ATOM 303 CA PRO A 19 26.862 27.938 3.705 1.00 0.00 C ATOM 304 C PRO A 19 25.996 26.707 3.953 1.00 0.00 C ATOM 305 O PRO A 19 24.967 26.784 4.626 1.00 0.00 O ATOM 306 CB PRO A 19 26.285 28.821 2.584 1.00 0.00 C ATOM 307 CG PRO A 19 27.049 28.433 1.360 1.00 0.00 C ATOM 308 CD PRO A 19 28.453 28.088 1.844 1.00 0.00 C ATOM 0 HA PRO A 19 26.902 28.455 4.664 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.217 28.648 2.455 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.411 29.880 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.586 27.581 0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.073 29.249 0.638 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.933 27.351 1.200 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.101 28.965 1.863 1.00 0.00 H new ATOM 316 N SER A 20 26.408 25.573 3.385 1.00 0.00 N ATOM 317 CA SER A 20 25.658 24.324 3.522 1.00 0.00 C ATOM 318 C SER A 20 26.292 23.404 4.560 1.00 0.00 C ATOM 319 O SER A 20 25.865 22.261 4.721 1.00 0.00 O ATOM 320 CB SER A 20 25.616 23.607 2.171 1.00 0.00 C ATOM 321 OG SER A 20 24.907 24.409 1.235 1.00 0.00 O ATOM 0 H SER A 20 27.257 25.494 2.826 1.00 0.00 H new ATOM 0 HA SER A 20 24.649 24.569 3.854 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.629 23.420 1.814 1.00 0.00 H new ATOM 0 HB3 SER A 20 25.131 22.636 2.276 1.00 0.00 H new ATOM 0 HG SER A 20 24.880 23.953 0.368 1.00 0.00 H new ATOM 327 N ASP A 21 27.303 23.899 5.269 1.00 0.00 N ATOM 328 CA ASP A 21 27.962 23.101 6.288 1.00 0.00 C ATOM 329 C ASP A 21 27.007 22.831 7.444 1.00 0.00 C ATOM 330 O ASP A 21 26.162 23.664 7.770 1.00 0.00 O ATOM 331 CB ASP A 21 29.208 23.847 6.793 1.00 0.00 C ATOM 332 CG ASP A 21 30.385 23.639 5.838 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.269 22.817 4.948 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.391 24.299 6.022 1.00 0.00 O ATOM 0 H ASP A 21 27.678 24.841 5.155 1.00 0.00 H new ATOM 0 HA ASP A 21 28.263 22.146 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.990 24.911 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.473 23.491 7.788 1.00 0.00 H new ATOM 339 N THR A 22 27.142 21.657 8.063 1.00 0.00 N ATOM 340 CA THR A 22 26.285 21.295 9.186 1.00 0.00 C ATOM 341 C THR A 22 26.927 21.742 10.488 1.00 0.00 C ATOM 342 O THR A 22 28.149 21.837 10.581 1.00 0.00 O ATOM 343 CB THR A 22 26.066 19.780 9.222 1.00 0.00 C ATOM 344 OG1 THR A 22 27.325 19.123 9.283 1.00 0.00 O ATOM 345 CG2 THR A 22 25.315 19.334 7.965 1.00 0.00 C ATOM 0 H THR A 22 27.830 20.949 7.807 1.00 0.00 H new ATOM 0 HA THR A 22 25.322 21.791 9.063 1.00 0.00 H new ATOM 0 HB THR A 22 25.476 19.521 10.101 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.674 19.000 8.376 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.162 18.255 7.996 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.349 19.836 7.921 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.899 19.592 7.082 1.00 0.00 H new ATOM 353 N ILE A 23 26.106 22.015 11.489 1.00 0.00 N ATOM 354 CA ILE A 23 26.631 22.452 12.774 1.00 0.00 C ATOM 355 C ILE A 23 27.682 21.466 13.262 1.00 0.00 C ATOM 356 O ILE A 23 28.533 21.802 14.080 1.00 0.00 O ATOM 357 CB ILE A 23 25.499 22.556 13.800 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.301 23.291 13.184 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.987 23.321 15.029 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.753 24.616 12.562 1.00 0.00 C ATOM 0 H ILE A 23 25.090 21.944 11.440 1.00 0.00 H new ATOM 0 HA ILE A 23 27.088 23.434 12.654 1.00 0.00 H new ATOM 0 HB ILE A 23 25.193 21.552 14.094 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.833 22.665 12.424 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.548 23.479 13.949 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.179 23.393 15.757 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.831 22.794 15.474 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.300 24.323 14.734 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.893 25.127 12.129 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.199 25.246 13.332 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.489 24.420 11.782 1.00 0.00 H new ATOM 372 N GLU A 24 27.627 20.251 12.733 1.00 0.00 N ATOM 373 CA GLU A 24 28.587 19.220 13.107 1.00 0.00 C ATOM 374 C GLU A 24 29.917 19.460 12.395 1.00 0.00 C ATOM 375 O GLU A 24 30.965 19.559 13.034 1.00 0.00 O ATOM 376 CB GLU A 24 28.035 17.841 12.742 1.00 0.00 C ATOM 377 CG GLU A 24 26.766 17.567 13.554 1.00 0.00 C ATOM 378 CD GLU A 24 26.270 16.149 13.287 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.840 15.494 12.430 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.327 15.740 13.944 1.00 0.00 O ATOM 0 H GLU A 24 26.932 19.956 12.047 1.00 0.00 H new ATOM 0 HA GLU A 24 28.754 19.262 14.183 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.814 17.797 11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.782 17.073 12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.970 17.695 14.617 1.00 0.00 H new ATOM 0 HG3 GLU A 24 25.992 18.287 13.289 1.00 0.00 H new ATOM 387 N ASN A 25 29.865 19.555 11.070 1.00 0.00 N ATOM 388 CA ASN A 25 31.061 19.794 10.281 1.00 0.00 C ATOM 389 C ASN A 25 31.787 21.046 10.774 1.00 0.00 C ATOM 390 O ASN A 25 33.010 21.058 10.901 1.00 0.00 O ATOM 391 CB ASN A 25 30.669 19.976 8.813 1.00 0.00 C ATOM 392 CG ASN A 25 30.318 18.630 8.190 1.00 0.00 C ATOM 393 OD1 ASN A 25 29.146 18.351 7.937 1.00 0.00 O ATOM 394 ND2 ASN A 25 31.267 17.778 7.925 1.00 0.00 N ATOM 0 H ASN A 25 29.008 19.470 10.524 1.00 0.00 H new ATOM 0 HA ASN A 25 31.729 18.939 10.385 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.818 20.653 8.738 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.491 20.436 8.264 1.00 0.00 H new ATOM 0 HD21 ASN A 25 31.040 16.876 7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 25 32.237 18.013 8.136 1.00 0.00 H new ATOM 401 N VAL A 26 31.026 22.101 11.044 1.00 0.00 N ATOM 402 CA VAL A 26 31.622 23.347 11.510 1.00 0.00 C ATOM 403 C VAL A 26 32.270 23.149 12.879 1.00 0.00 C ATOM 404 O VAL A 26 33.364 23.651 13.137 1.00 0.00 O ATOM 405 CB VAL A 26 30.563 24.456 11.578 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.234 25.769 11.975 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.908 24.619 10.205 1.00 0.00 C ATOM 0 H VAL A 26 30.010 22.120 10.950 1.00 0.00 H new ATOM 0 HA VAL A 26 32.393 23.646 10.800 1.00 0.00 H new ATOM 0 HB VAL A 26 29.805 24.192 12.315 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.485 26.560 12.025 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.707 25.655 12.950 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.989 26.030 11.234 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.156 25.406 10.252 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.667 24.886 9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.434 23.681 9.914 1.00 0.00 H new ATOM 417 N LYS A 27 31.599 22.405 13.751 1.00 0.00 N ATOM 418 CA LYS A 27 32.140 22.146 15.077 1.00 0.00 C ATOM 419 C LYS A 27 33.440 21.379 14.939 1.00 0.00 C ATOM 420 O LYS A 27 34.408 21.625 15.659 1.00 0.00 O ATOM 421 CB LYS A 27 31.135 21.342 15.915 1.00 0.00 C ATOM 422 CG LYS A 27 30.082 22.285 16.507 1.00 0.00 C ATOM 423 CD LYS A 27 28.925 21.466 17.093 1.00 0.00 C ATOM 424 CE LYS A 27 28.061 22.363 17.983 1.00 0.00 C ATOM 425 NZ LYS A 27 26.768 21.679 18.272 1.00 0.00 N ATOM 0 H LYS A 27 30.692 21.976 13.566 1.00 0.00 H new ATOM 0 HA LYS A 27 32.327 23.092 15.584 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.653 20.586 15.295 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.654 20.814 16.715 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.531 22.905 17.283 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.709 22.959 15.736 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.321 21.044 16.290 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.315 20.629 17.672 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.584 22.583 18.914 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.878 23.316 17.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.011 22.388 18.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.543 21.021 17.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.847 21.150 19.164 1.00 0.00 H new ATOM 439 N ALA A 28 33.450 20.457 13.991 1.00 0.00 N ATOM 440 CA ALA A 28 34.625 19.652 13.727 1.00 0.00 C ATOM 441 C ALA A 28 35.802 20.546 13.342 1.00 0.00 C ATOM 442 O ALA A 28 36.934 20.315 13.765 1.00 0.00 O ATOM 443 CB ALA A 28 34.308 18.676 12.593 1.00 0.00 C ATOM 0 H ALA A 28 32.652 20.249 13.390 1.00 0.00 H new ATOM 0 HA ALA A 28 34.899 19.096 14.624 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.185 18.064 12.384 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.478 18.033 12.887 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.034 19.235 11.698 1.00 0.00 H new ATOM 449 N LYS A 29 35.515 21.585 12.557 1.00 0.00 N ATOM 450 CA LYS A 29 36.557 22.522 12.138 1.00 0.00 C ATOM 451 C LYS A 29 37.128 23.234 13.363 1.00 0.00 C ATOM 452 O LYS A 29 38.337 23.462 13.465 1.00 0.00 O ATOM 453 CB LYS A 29 35.988 23.569 11.169 1.00 0.00 C ATOM 454 CG LYS A 29 35.620 22.913 9.834 1.00 0.00 C ATOM 455 CD LYS A 29 35.059 23.975 8.880 1.00 0.00 C ATOM 456 CE LYS A 29 34.822 23.351 7.505 1.00 0.00 C ATOM 457 NZ LYS A 29 33.745 22.326 7.604 1.00 0.00 N ATOM 0 H LYS A 29 34.582 21.797 12.202 1.00 0.00 H new ATOM 0 HA LYS A 29 37.342 21.961 11.632 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.107 24.039 11.606 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.721 24.359 11.004 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.499 22.441 9.394 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.882 22.127 9.994 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.126 24.377 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.756 24.809 8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.540 24.122 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.741 22.894 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.418 22.073 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 34.115 21.478 8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.949 22.711 8.152 1.00 0.00 H new ATOM 471 N ILE A 30 36.243 23.565 14.295 1.00 0.00 N ATOM 472 CA ILE A 30 36.646 24.238 15.511 1.00 0.00 C ATOM 473 C ILE A 30 37.483 23.308 16.383 1.00 0.00 C ATOM 474 O ILE A 30 38.545 23.689 16.869 1.00 0.00 O ATOM 475 CB ILE A 30 35.396 24.705 16.268 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.735 25.846 15.486 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.791 25.201 17.660 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.372 26.181 16.101 1.00 0.00 C ATOM 0 H ILE A 30 35.243 23.376 14.227 1.00 0.00 H new ATOM 0 HA ILE A 30 37.258 25.104 15.258 1.00 0.00 H new ATOM 0 HB ILE A 30 34.698 23.874 16.370 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.376 26.727 15.500 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.612 25.559 14.442 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.901 25.532 18.195 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.267 24.391 18.213 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.488 26.034 17.565 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.909 26.993 15.540 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.730 25.301 16.063 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.506 26.488 17.138 1.00 0.00 H new ATOM 490 N GLN A 31 36.999 22.090 16.581 1.00 0.00 N ATOM 491 CA GLN A 31 37.715 21.124 17.409 1.00 0.00 C ATOM 492 C GLN A 31 39.102 20.850 16.843 1.00 0.00 C ATOM 493 O GLN A 31 40.094 20.847 17.571 1.00 0.00 O ATOM 494 CB GLN A 31 36.934 19.808 17.483 1.00 0.00 C ATOM 495 CG GLN A 31 37.563 18.903 18.548 1.00 0.00 C ATOM 496 CD GLN A 31 36.997 17.492 18.440 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.243 17.192 17.514 1.00 0.00 O ATOM 498 NE2 GLN A 31 37.318 16.600 19.339 1.00 0.00 N ATOM 0 H GLN A 31 36.123 21.748 16.185 1.00 0.00 H new ATOM 0 HA GLN A 31 37.815 21.547 18.408 1.00 0.00 H new ATOM 0 HB2 GLN A 31 35.890 20.005 17.727 1.00 0.00 H new ATOM 0 HB3 GLN A 31 36.946 19.310 16.513 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.645 18.879 18.422 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.366 19.307 19.541 1.00 0.00 H new ATOM 0 HE21 GLN A 31 37.943 16.850 20.105 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.944 15.653 19.274 1.00 0.00 H new ATOM 507 N ASP A 32 39.159 20.598 15.545 1.00 0.00 N ATOM 508 CA ASP A 32 40.424 20.297 14.888 1.00 0.00 C ATOM 509 C ASP A 32 41.456 21.404 15.115 1.00 0.00 C ATOM 510 O ASP A 32 42.638 21.119 15.309 1.00 0.00 O ATOM 511 CB ASP A 32 40.198 20.110 13.386 1.00 0.00 C ATOM 512 CG ASP A 32 39.362 18.857 13.137 1.00 0.00 C ATOM 513 OD1 ASP A 32 39.373 17.981 13.987 1.00 0.00 O ATOM 514 OD2 ASP A 32 38.721 18.793 12.101 1.00 0.00 O ATOM 0 H ASP A 32 38.348 20.595 14.926 1.00 0.00 H new ATOM 0 HA ASP A 32 40.813 19.377 15.323 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.692 20.983 12.974 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.156 20.026 12.873 1.00 0.00 H new ATOM 519 N LYS A 33 41.021 22.664 15.065 1.00 0.00 N ATOM 520 CA LYS A 33 41.949 23.785 15.241 1.00 0.00 C ATOM 521 C LYS A 33 42.167 24.162 16.714 1.00 0.00 C ATOM 522 O LYS A 33 43.277 24.528 17.098 1.00 0.00 O ATOM 523 CB LYS A 33 41.429 25.009 14.481 1.00 0.00 C ATOM 524 CG LYS A 33 41.231 24.650 13.007 1.00 0.00 C ATOM 525 CD LYS A 33 40.581 25.829 12.274 1.00 0.00 C ATOM 526 CE LYS A 33 41.574 26.991 12.187 1.00 0.00 C ATOM 527 NZ LYS A 33 41.147 27.932 11.114 1.00 0.00 N ATOM 0 H LYS A 33 40.050 22.933 14.907 1.00 0.00 H new ATOM 0 HA LYS A 33 42.911 23.461 14.844 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.487 25.345 14.914 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.135 25.834 14.573 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.190 24.408 12.549 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.603 23.763 12.919 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.275 25.524 11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 33 39.681 26.146 12.800 1.00 0.00 H new ATOM 0 HE2 LYS A 33 41.625 27.512 13.143 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.574 26.613 11.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.902 28.014 10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.282 27.573 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.958 28.867 11.527 1.00 0.00 H new ATOM 541 N GLU A 34 41.112 24.106 17.532 1.00 0.00 N ATOM 542 CA GLU A 34 41.230 24.493 18.951 1.00 0.00 C ATOM 543 C GLU A 34 41.391 23.284 19.876 1.00 0.00 C ATOM 544 O GLU A 34 41.706 23.445 21.054 1.00 0.00 O ATOM 545 CB GLU A 34 39.992 25.293 19.373 1.00 0.00 C ATOM 546 CG GLU A 34 40.373 26.305 20.457 1.00 0.00 C ATOM 547 CD GLU A 34 41.172 27.453 19.850 1.00 0.00 C ATOM 548 OE1 GLU A 34 42.386 27.343 19.798 1.00 0.00 O ATOM 549 OE2 GLU A 34 40.560 28.429 19.452 1.00 0.00 O ATOM 0 H GLU A 34 40.180 23.803 17.248 1.00 0.00 H new ATOM 0 HA GLU A 34 42.129 25.102 19.045 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.571 25.811 18.511 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.222 24.618 19.747 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.473 26.692 20.936 1.00 0.00 H new ATOM 0 HG3 GLU A 34 40.961 25.814 21.233 1.00 0.00 H new ATOM 556 N GLY A 35 41.215 22.082 19.341 1.00 0.00 N ATOM 557 CA GLY A 35 41.387 20.870 20.140 1.00 0.00 C ATOM 558 C GLY A 35 40.346 20.749 21.257 1.00 0.00 C ATOM 559 O GLY A 35 40.431 19.844 22.087 1.00 0.00 O ATOM 0 H GLY A 35 40.956 21.918 18.368 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.320 19.998 19.490 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.386 20.866 20.577 1.00 0.00 H new ATOM 563 N ILE A 36 39.364 21.652 21.275 1.00 0.00 N ATOM 564 CA ILE A 36 38.322 21.616 22.294 1.00 0.00 C ATOM 565 C ILE A 36 37.154 20.718 21.838 1.00 0.00 C ATOM 566 O ILE A 36 36.464 21.054 20.875 1.00 0.00 O ATOM 567 CB ILE A 36 37.807 23.038 22.534 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.989 23.956 22.853 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.837 23.034 23.709 1.00 0.00 C ATOM 570 CD1 ILE A 36 38.490 25.382 23.108 1.00 0.00 C ATOM 0 H ILE A 36 39.271 22.411 20.600 1.00 0.00 H new ATOM 0 HA ILE A 36 38.738 21.208 23.215 1.00 0.00 H new ATOM 0 HB ILE A 36 37.295 23.397 21.641 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.522 23.586 23.729 1.00 0.00 H new ATOM 0 HG13 ILE A 36 39.697 23.952 22.024 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.470 24.046 23.881 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.997 22.376 23.485 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.349 22.677 24.603 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.337 26.029 23.334 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.978 25.752 22.220 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.799 25.380 23.951 1.00 0.00 H new ATOM 582 N PRO A 37 36.905 19.597 22.494 1.00 0.00 N ATOM 583 CA PRO A 37 35.784 18.686 22.102 1.00 0.00 C ATOM 584 C PRO A 37 34.478 19.454 21.848 1.00 0.00 C ATOM 585 O PRO A 37 34.211 20.469 22.492 1.00 0.00 O ATOM 586 CB PRO A 37 35.650 17.742 23.306 1.00 0.00 C ATOM 587 CG PRO A 37 37.017 17.692 23.904 1.00 0.00 C ATOM 588 CD PRO A 37 37.642 19.069 23.661 1.00 0.00 C ATOM 0 HA PRO A 37 35.984 18.162 21.167 1.00 0.00 H new ATOM 0 HB2 PRO A 37 34.918 18.116 24.022 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.317 16.751 22.997 1.00 0.00 H new ATOM 0 HG2 PRO A 37 36.967 17.470 24.970 1.00 0.00 H new ATOM 0 HG3 PRO A 37 37.615 16.906 23.442 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.530 19.717 24.530 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.710 18.992 23.457 1.00 0.00 H new ATOM 596 N PRO A 38 33.658 18.993 20.929 1.00 0.00 N ATOM 597 CA PRO A 38 32.362 19.663 20.595 1.00 0.00 C ATOM 598 C PRO A 38 31.321 19.497 21.699 1.00 0.00 C ATOM 599 O PRO A 38 30.346 20.247 21.762 1.00 0.00 O ATOM 600 CB PRO A 38 31.925 18.965 19.304 1.00 0.00 C ATOM 601 CG PRO A 38 32.494 17.597 19.427 1.00 0.00 C ATOM 602 CD PRO A 38 33.855 17.783 20.108 1.00 0.00 C ATOM 0 HA PRO A 38 32.470 20.742 20.485 1.00 0.00 H new ATOM 0 HB2 PRO A 38 30.839 18.939 19.212 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.308 19.479 18.422 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.844 16.952 20.018 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.604 17.128 18.449 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.121 16.920 20.719 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.655 17.916 19.380 1.00 0.00 H new ATOM 610 N ASP A 39 31.535 18.518 22.569 1.00 0.00 N ATOM 611 CA ASP A 39 30.606 18.275 23.661 1.00 0.00 C ATOM 612 C ASP A 39 30.817 19.279 24.787 1.00 0.00 C ATOM 613 O ASP A 39 29.976 19.408 25.677 1.00 0.00 O ATOM 614 CB ASP A 39 30.794 16.854 24.202 1.00 0.00 C ATOM 615 CG ASP A 39 29.750 16.564 25.275 1.00 0.00 C ATOM 616 OD1 ASP A 39 28.577 16.534 24.940 1.00 0.00 O ATOM 617 OD2 ASP A 39 30.138 16.377 26.418 1.00 0.00 O ATOM 0 H ASP A 39 32.335 17.886 22.540 1.00 0.00 H new ATOM 0 HA ASP A 39 29.592 18.389 23.277 1.00 0.00 H new ATOM 0 HB2 ASP A 39 30.704 16.132 23.390 1.00 0.00 H new ATOM 0 HB3 ASP A 39 31.796 16.743 24.618 1.00 0.00 H new ATOM 622 N GLN A 40 31.951 19.985 24.758 1.00 0.00 N ATOM 623 CA GLN A 40 32.269 20.965 25.797 1.00 0.00 C ATOM 624 C GLN A 40 31.971 22.380 25.322 1.00 0.00 C ATOM 625 O GLN A 40 32.061 23.332 26.098 1.00 0.00 O ATOM 626 CB GLN A 40 33.755 20.868 26.157 1.00 0.00 C ATOM 627 CG GLN A 40 34.039 19.520 26.823 1.00 0.00 C ATOM 628 CD GLN A 40 35.460 19.500 27.374 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.410 19.813 26.655 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.665 19.149 28.614 1.00 0.00 N ATOM 0 H GLN A 40 32.660 19.896 24.030 1.00 0.00 H new ATOM 0 HA GLN A 40 31.652 20.747 26.669 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.364 20.976 25.260 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.030 21.681 26.829 1.00 0.00 H new ATOM 0 HG2 GLN A 40 33.325 19.345 27.628 1.00 0.00 H new ATOM 0 HG3 GLN A 40 33.909 18.714 26.101 1.00 0.00 H new ATOM 0 HE21 GLN A 40 34.877 18.890 29.208 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.613 19.133 28.990 1.00 0.00 H new ATOM 639 N GLN A 41 31.639 22.524 24.034 1.00 0.00 N ATOM 640 CA GLN A 41 31.359 23.844 23.461 1.00 0.00 C ATOM 641 C GLN A 41 29.950 23.928 22.884 1.00 0.00 C ATOM 642 O GLN A 41 29.383 22.935 22.429 1.00 0.00 O ATOM 643 CB GLN A 41 32.360 24.138 22.344 1.00 0.00 C ATOM 644 CG GLN A 41 33.783 24.055 22.892 1.00 0.00 C ATOM 645 CD GLN A 41 34.782 24.069 21.741 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.506 25.047 21.558 1.00 0.00 O ATOM 647 NE2 GLN A 41 34.867 23.034 20.949 1.00 0.00 N ATOM 0 H GLN A 41 31.558 21.750 23.374 1.00 0.00 H new ATOM 0 HA GLN A 41 31.446 24.575 24.265 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.231 23.424 21.530 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.177 25.130 21.930 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.974 24.894 23.561 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.904 23.145 23.479 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.266 22.224 21.102 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.534 23.036 20.177 1.00 0.00 H new ATOM 656 N ARG A 42 29.411 25.144 22.897 1.00 0.00 N ATOM 657 CA ARG A 42 28.081 25.425 22.356 1.00 0.00 C ATOM 658 C ARG A 42 28.183 26.648 21.451 1.00 0.00 C ATOM 659 O ARG A 42 28.849 27.623 21.802 1.00 0.00 O ATOM 660 CB ARG A 42 27.086 25.693 23.491 1.00 0.00 C ATOM 661 CG ARG A 42 26.820 24.392 24.287 1.00 0.00 C ATOM 662 CD ARG A 42 25.707 23.580 23.616 1.00 0.00 C ATOM 663 NE ARG A 42 25.373 22.408 24.420 1.00 0.00 N ATOM 664 CZ ARG A 42 24.213 21.772 24.267 1.00 0.00 C ATOM 665 NH1 ARG A 42 23.934 20.731 25.006 1.00 0.00 N ATOM 666 NH2 ARG A 42 23.354 22.187 23.377 1.00 0.00 N ATOM 0 H ARG A 42 29.882 25.963 23.282 1.00 0.00 H new ATOM 0 HA ARG A 42 27.723 24.565 21.790 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.480 26.461 24.156 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.151 26.075 23.082 1.00 0.00 H new ATOM 0 HG2 ARG A 42 27.732 23.797 24.341 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.536 24.635 25.311 1.00 0.00 H new ATOM 0 HD2 ARG A 42 24.822 24.203 23.486 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.026 23.267 22.622 1.00 0.00 H new ATOM 0 HE ARG A 42 26.041 22.070 25.112 1.00 0.00 H new ATOM 0 HH11 ARG A 42 24.605 20.404 25.701 1.00 0.00 H new ATOM 0 HH12 ARG A 42 23.045 20.245 24.888 1.00 0.00 H new ATOM 0 HH21 ARG A 42 23.571 22.999 22.798 1.00 0.00 H new ATOM 0 HH22 ARG A 42 22.466 21.700 23.260 1.00 0.00 H new ATOM 680 N LEU A 43 27.536 26.604 20.284 1.00 0.00 N ATOM 681 CA LEU A 43 27.587 27.727 19.338 1.00 0.00 C ATOM 682 C LEU A 43 26.234 28.434 19.263 1.00 0.00 C ATOM 683 O LEU A 43 25.200 27.793 19.072 1.00 0.00 O ATOM 684 CB LEU A 43 27.973 27.210 17.948 1.00 0.00 C ATOM 685 CG LEU A 43 29.212 26.308 18.046 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.652 25.899 16.638 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.353 27.065 18.737 1.00 0.00 C ATOM 0 H LEU A 43 26.975 25.812 19.971 1.00 0.00 H new ATOM 0 HA LEU A 43 28.333 28.441 19.687 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.142 26.654 17.515 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.176 28.049 17.283 1.00 0.00 H new ATOM 0 HG LEU A 43 28.967 25.420 18.628 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.532 25.258 16.703 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.844 25.357 16.147 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.894 26.790 16.059 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.229 26.420 18.804 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.601 27.956 18.160 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.041 27.358 19.739 1.00 0.00 H new ATOM 699 N ILE A 44 26.248 29.767 19.422 1.00 0.00 N ATOM 700 CA ILE A 44 25.014 30.563 19.380 1.00 0.00 C ATOM 701 C ILE A 44 25.127 31.716 18.378 1.00 0.00 C ATOM 702 O ILE A 44 26.184 32.338 18.231 1.00 0.00 O ATOM 703 CB ILE A 44 24.714 31.119 20.775 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.851 29.986 21.804 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.289 31.683 20.806 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.263 30.417 23.151 1.00 0.00 C ATOM 0 H ILE A 44 27.095 30.312 19.580 1.00 0.00 H new ATOM 0 HA ILE A 44 24.201 29.913 19.057 1.00 0.00 H new ATOM 0 HB ILE A 44 25.416 31.917 21.016 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.337 29.095 21.444 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.901 29.721 21.926 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.076 32.079 21.799 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.198 32.482 20.070 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.579 30.890 20.571 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.367 29.604 23.870 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.795 31.295 23.516 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.207 30.658 23.027 1.00 0.00 H new ATOM 718 N PHE A 45 24.011 31.997 17.709 1.00 0.00 N ATOM 719 CA PHE A 45 23.929 33.074 16.722 1.00 0.00 C ATOM 720 C PHE A 45 22.528 33.672 16.764 1.00 0.00 C ATOM 721 O PHE A 45 21.553 32.944 16.939 1.00 0.00 O ATOM 722 CB PHE A 45 24.197 32.521 15.317 1.00 0.00 C ATOM 723 CG PHE A 45 24.024 33.616 14.285 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.079 34.497 14.013 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.809 33.749 13.599 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.922 35.504 13.052 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.653 34.757 12.639 1.00 0.00 C ATOM 728 CZ PHE A 45 23.708 35.636 12.368 1.00 0.00 C ATOM 0 H PHE A 45 23.138 31.485 17.835 1.00 0.00 H new ATOM 0 HA PHE A 45 24.674 33.836 16.953 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.208 32.117 15.264 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.513 31.699 15.105 1.00 0.00 H new ATOM 0 HD1 PHE A 45 26.014 34.400 14.545 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.993 33.074 13.811 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.738 36.179 12.839 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.718 34.856 12.108 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.585 36.416 11.631 1.00 0.00 H new ATOM 738 N ALA A 46 22.416 34.986 16.617 1.00 0.00 N ATOM 739 CA ALA A 46 21.098 35.614 16.653 1.00 0.00 C ATOM 740 C ALA A 46 20.351 35.139 17.893 1.00 0.00 C ATOM 741 O ALA A 46 19.145 34.883 17.861 1.00 0.00 O ATOM 742 CB ALA A 46 20.312 35.253 15.388 1.00 0.00 C ATOM 0 H ALA A 46 23.198 35.625 16.475 1.00 0.00 H new ATOM 0 HA ALA A 46 21.210 36.698 16.693 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.330 35.725 15.423 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.854 35.606 14.510 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.192 34.171 15.330 1.00 0.00 H new ATOM 748 N GLY A 47 21.099 35.039 18.988 1.00 0.00 N ATOM 749 CA GLY A 47 20.561 34.616 20.276 1.00 0.00 C ATOM 750 C GLY A 47 20.015 33.183 20.265 1.00 0.00 C ATOM 751 O GLY A 47 19.415 32.754 21.250 1.00 0.00 O ATOM 0 H GLY A 47 22.097 35.249 19.007 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.343 34.694 21.031 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.764 35.299 20.571 1.00 0.00 H new ATOM 755 N LYS A 48 20.217 32.440 19.171 1.00 0.00 N ATOM 756 CA LYS A 48 19.719 31.050 19.092 1.00 0.00 C ATOM 757 C LYS A 48 20.860 30.041 18.990 1.00 0.00 C ATOM 758 O LYS A 48 21.839 30.257 18.274 1.00 0.00 O ATOM 759 CB LYS A 48 18.809 30.872 17.880 1.00 0.00 C ATOM 760 CG LYS A 48 17.547 31.717 18.038 1.00 0.00 C ATOM 761 CD LYS A 48 16.682 31.546 16.788 1.00 0.00 C ATOM 762 CE LYS A 48 15.422 32.404 16.904 1.00 0.00 C ATOM 763 NZ LYS A 48 14.619 31.948 18.073 1.00 0.00 N ATOM 0 H LYS A 48 20.711 32.764 18.340 1.00 0.00 H new ATOM 0 HA LYS A 48 19.164 30.865 20.011 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.339 31.163 16.973 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.540 29.821 17.769 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.994 31.408 18.925 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.809 32.766 18.175 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.248 31.834 15.902 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.409 30.498 16.665 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.693 33.453 17.022 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.831 32.328 15.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.637 32.274 17.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.636 30.909 18.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.023 32.342 18.947 1.00 0.00 H new ATOM 777 N GLN A 49 20.700 28.923 19.695 1.00 0.00 N ATOM 778 CA GLN A 49 21.688 27.856 19.682 1.00 0.00 C ATOM 779 C GLN A 49 21.515 27.003 18.426 1.00 0.00 C ATOM 780 O GLN A 49 20.396 26.637 18.068 1.00 0.00 O ATOM 781 CB GLN A 49 21.514 26.981 20.925 1.00 0.00 C ATOM 782 CG GLN A 49 22.769 26.135 21.143 1.00 0.00 C ATOM 783 CD GLN A 49 22.893 25.085 20.042 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.885 24.635 19.497 1.00 0.00 O ATOM 785 NE2 GLN A 49 24.076 24.669 19.681 1.00 0.00 N ATOM 0 H GLN A 49 19.889 28.736 20.285 1.00 0.00 H new ATOM 0 HA GLN A 49 22.687 28.293 19.683 1.00 0.00 H new ATOM 0 HB2 GLN A 49 21.330 27.607 21.798 1.00 0.00 H new ATOM 0 HB3 GLN A 49 20.644 26.334 20.807 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.652 26.775 21.147 1.00 0.00 H new ATOM 0 HG3 GLN A 49 22.724 25.648 22.117 1.00 0.00 H new ATOM 0 HE21 GLN A 49 24.909 25.044 20.135 1.00 0.00 H new ATOM 0 HE22 GLN A 49 24.168 23.969 18.945 1.00 0.00 H new ATOM 794 N LEU A 50 22.621 26.703 17.755 1.00 0.00 N ATOM 795 CA LEU A 50 22.561 25.909 16.526 1.00 0.00 C ATOM 796 C LEU A 50 22.356 24.428 16.842 1.00 0.00 C ATOM 797 O LEU A 50 23.091 23.839 17.634 1.00 0.00 O ATOM 798 CB LEU A 50 23.845 26.103 15.718 1.00 0.00 C ATOM 799 CG LEU A 50 24.160 27.601 15.612 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.466 27.794 14.837 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.020 28.320 14.880 1.00 0.00 C ATOM 0 H LEU A 50 23.559 26.991 18.033 1.00 0.00 H new ATOM 0 HA LEU A 50 21.711 26.251 15.936 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.672 25.579 16.198 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.730 25.673 14.723 1.00 0.00 H new ATOM 0 HG LEU A 50 24.265 28.019 16.613 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.690 28.858 14.761 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.278 27.288 15.360 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.361 27.373 13.837 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.248 29.383 14.807 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.910 27.903 13.879 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.090 28.185 15.433 1.00 0.00 H new ATOM 813 N GLU A 51 21.332 23.839 16.220 1.00 0.00 N ATOM 814 CA GLU A 51 21.000 22.431 16.444 1.00 0.00 C ATOM 815 C GLU A 51 21.808 21.511 15.537 1.00 0.00 C ATOM 816 O GLU A 51 22.023 21.793 14.354 1.00 0.00 O ATOM 817 CB GLU A 51 19.501 22.204 16.190 1.00 0.00 C ATOM 818 CG GLU A 51 18.704 22.570 17.443 1.00 0.00 C ATOM 819 CD GLU A 51 17.221 22.282 17.225 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.918 21.276 16.604 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.411 23.073 17.681 1.00 0.00 O ATOM 0 H GLU A 51 20.719 24.315 15.558 1.00 0.00 H new ATOM 0 HA GLU A 51 21.247 22.193 17.479 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.169 22.810 15.347 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.321 21.162 15.924 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.071 22.000 18.296 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.847 23.625 17.679 1.00 0.00 H new ATOM 828 N ASP A 52 22.230 20.392 16.104 1.00 0.00 N ATOM 829 CA ASP A 52 22.998 19.411 15.363 1.00 0.00 C ATOM 830 C ASP A 52 22.162 18.806 14.238 1.00 0.00 C ATOM 831 O ASP A 52 21.014 18.414 14.447 1.00 0.00 O ATOM 832 CB ASP A 52 23.469 18.301 16.307 1.00 0.00 C ATOM 833 CG ASP A 52 24.449 18.867 17.329 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.203 19.756 16.969 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.431 18.403 18.456 1.00 0.00 O ATOM 0 H ASP A 52 22.052 20.143 17.077 1.00 0.00 H new ATOM 0 HA ASP A 52 23.862 19.910 14.924 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.613 17.859 16.817 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.946 17.504 15.736 1.00 0.00 H new ATOM 840 N GLY A 53 22.750 18.719 13.046 1.00 0.00 N ATOM 841 CA GLY A 53 22.057 18.146 11.890 1.00 0.00 C ATOM 842 C GLY A 53 21.496 19.229 10.968 1.00 0.00 C ATOM 843 O GLY A 53 21.061 18.930 9.855 1.00 0.00 O ATOM 0 H GLY A 53 23.700 19.036 12.854 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.746 17.514 11.330 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.245 17.506 12.234 1.00 0.00 H new ATOM 847 N ARG A 54 21.515 20.487 11.417 1.00 0.00 N ATOM 848 CA ARG A 54 21.005 21.589 10.589 1.00 0.00 C ATOM 849 C ARG A 54 22.143 22.261 9.822 1.00 0.00 C ATOM 850 O ARG A 54 23.304 22.189 10.223 1.00 0.00 O ATOM 851 CB ARG A 54 20.301 22.627 11.466 1.00 0.00 C ATOM 852 CG ARG A 54 19.068 21.997 12.118 1.00 0.00 C ATOM 853 CD ARG A 54 18.177 23.099 12.692 1.00 0.00 C ATOM 854 NE ARG A 54 17.122 22.522 13.517 1.00 0.00 N ATOM 855 CZ ARG A 54 16.024 22.013 12.968 1.00 0.00 C ATOM 856 NH1 ARG A 54 15.076 21.537 13.726 1.00 0.00 N ATOM 857 NH2 ARG A 54 15.900 21.983 11.669 1.00 0.00 N ATOM 0 H ARG A 54 21.870 20.767 12.331 1.00 0.00 H new ATOM 0 HA ARG A 54 20.294 21.174 9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.984 22.993 12.233 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.007 23.487 10.864 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.514 21.412 11.384 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.372 21.311 12.909 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.777 23.788 13.287 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.737 23.679 11.881 1.00 0.00 H new ATOM 0 HE ARG A 54 17.228 22.509 14.531 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.177 21.555 14.741 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.233 21.146 13.304 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.645 22.350 11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.058 21.593 11.246 1.00 0.00 H new ATOM 871 N THR A 55 21.800 22.920 8.715 1.00 0.00 N ATOM 872 CA THR A 55 22.793 23.618 7.892 1.00 0.00 C ATOM 873 C THR A 55 22.800 25.102 8.242 1.00 0.00 C ATOM 874 O THR A 55 21.823 25.614 8.784 1.00 0.00 O ATOM 875 CB THR A 55 22.450 23.448 6.407 1.00 0.00 C ATOM 876 OG1 THR A 55 21.096 23.821 6.192 1.00 0.00 O ATOM 877 CG2 THR A 55 22.650 21.986 5.995 1.00 0.00 C ATOM 0 H THR A 55 20.844 22.986 8.366 1.00 0.00 H new ATOM 0 HA THR A 55 23.778 23.193 8.087 1.00 0.00 H new ATOM 0 HB THR A 55 23.104 24.082 5.808 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.728 24.207 7.014 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.405 21.869 4.939 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.689 21.700 6.161 1.00 0.00 H new ATOM 0 HG23 THR A 55 21.998 21.347 6.591 1.00 0.00 H new ATOM 885 N LEU A 56 23.890 25.800 7.928 1.00 0.00 N ATOM 886 CA LEU A 56 23.952 27.225 8.226 1.00 0.00 C ATOM 887 C LEU A 56 22.812 27.960 7.509 1.00 0.00 C ATOM 888 O LEU A 56 22.211 28.870 8.080 1.00 0.00 O ATOM 889 CB LEU A 56 25.326 27.819 7.820 1.00 0.00 C ATOM 890 CG LEU A 56 26.291 27.832 9.023 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.707 26.398 9.369 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.536 28.658 8.669 1.00 0.00 C ATOM 0 H LEU A 56 24.720 25.413 7.479 1.00 0.00 H new ATOM 0 HA LEU A 56 23.836 27.359 9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.756 27.232 7.009 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.192 28.833 7.444 1.00 0.00 H new ATOM 0 HG LEU A 56 25.791 28.277 9.883 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.389 26.412 10.219 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.822 25.814 9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.206 25.947 8.511 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.219 28.668 9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.035 28.214 7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.239 29.679 8.430 1.00 0.00 H new ATOM 904 N SER A 57 22.521 27.577 6.261 1.00 0.00 N ATOM 905 CA SER A 57 21.459 28.237 5.505 1.00 0.00 C ATOM 906 C SER A 57 20.207 28.367 6.355 1.00 0.00 C ATOM 907 O SER A 57 19.473 29.350 6.251 1.00 0.00 O ATOM 908 CB SER A 57 21.132 27.444 4.238 1.00 0.00 C ATOM 909 OG SER A 57 20.734 26.127 4.599 1.00 0.00 O ATOM 0 H SER A 57 22.998 26.826 5.762 1.00 0.00 H new ATOM 0 HA SER A 57 21.809 29.231 5.225 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.335 27.938 3.681 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.003 27.407 3.583 1.00 0.00 H new ATOM 0 HG SER A 57 21.366 25.762 5.253 1.00 0.00 H new ATOM 915 N ASP A 58 19.974 27.375 7.209 1.00 0.00 N ATOM 916 CA ASP A 58 18.811 27.404 8.083 1.00 0.00 C ATOM 917 C ASP A 58 18.828 28.696 8.889 1.00 0.00 C ATOM 918 O ASP A 58 17.814 29.378 9.024 1.00 0.00 O ATOM 919 CB ASP A 58 18.838 26.202 9.033 1.00 0.00 C ATOM 920 CG ASP A 58 18.780 24.899 8.239 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.718 24.589 7.723 1.00 0.00 O ATOM 922 OD2 ASP A 58 19.798 24.231 8.157 1.00 0.00 O ATOM 0 H ASP A 58 20.568 26.552 7.313 1.00 0.00 H new ATOM 0 HA ASP A 58 17.903 27.356 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.745 26.228 9.637 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.994 26.255 9.721 1.00 0.00 H new ATOM 927 N TYR A 59 20.011 29.025 9.405 1.00 0.00 N ATOM 928 CA TYR A 59 20.218 30.240 10.193 1.00 0.00 C ATOM 929 C TYR A 59 20.920 31.298 9.341 1.00 0.00 C ATOM 930 O TYR A 59 22.102 31.156 9.066 1.00 0.00 O ATOM 931 CB TYR A 59 21.108 29.907 11.391 1.00 0.00 C ATOM 932 CG TYR A 59 20.477 28.808 12.213 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.881 27.476 12.042 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.489 29.123 13.151 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.295 26.462 12.810 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.902 28.110 13.918 1.00 0.00 C ATOM 937 CZ TYR A 59 19.305 26.780 13.749 1.00 0.00 C ATOM 938 OH TYR A 59 18.726 25.783 14.508 1.00 0.00 O ATOM 0 H TYR A 59 20.851 28.459 9.289 1.00 0.00 H new ATOM 0 HA TYR A 59 19.254 30.622 10.528 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.094 29.595 11.047 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.252 30.795 12.006 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.644 27.232 11.318 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.179 30.149 13.284 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.606 25.436 12.679 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.138 28.355 14.641 1.00 0.00 H new ATOM 0 HH TYR A 59 18.060 26.175 15.110 1.00 0.00 H new ATOM 948 N ASN A 60 20.168 32.306 8.873 1.00 0.00 N ATOM 949 CA ASN A 60 20.716 33.355 7.987 1.00 0.00 C ATOM 950 C ASN A 60 22.049 33.953 8.479 1.00 0.00 C ATOM 951 O ASN A 60 22.120 35.130 8.837 1.00 0.00 O ATOM 952 CB ASN A 60 19.692 34.483 7.810 1.00 0.00 C ATOM 953 CG ASN A 60 18.350 33.914 7.352 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.312 34.230 7.933 1.00 0.00 O ATOM 955 ND2 ASN A 60 18.306 33.094 6.336 1.00 0.00 N ATOM 0 H ASN A 60 19.178 32.420 9.091 1.00 0.00 H new ATOM 0 HA ASN A 60 20.922 32.865 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.565 35.019 8.750 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.058 35.204 7.079 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.411 32.716 6.024 1.00 0.00 H new ATOM 0 HD22 ASN A 60 19.166 32.832 5.854 1.00 0.00 H new ATOM 962 N ILE A 61 23.094 33.129 8.470 1.00 0.00 N ATOM 963 CA ILE A 61 24.439 33.544 8.876 1.00 0.00 C ATOM 964 C ILE A 61 25.268 33.822 7.619 1.00 0.00 C ATOM 965 O ILE A 61 25.762 32.889 6.990 1.00 0.00 O ATOM 966 CB ILE A 61 25.108 32.413 9.667 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.367 32.182 10.986 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.568 32.774 9.959 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.888 30.893 11.630 1.00 0.00 C ATOM 0 H ILE A 61 23.034 32.153 8.181 1.00 0.00 H new ATOM 0 HA ILE A 61 24.376 34.438 9.496 1.00 0.00 H new ATOM 0 HB ILE A 61 25.072 31.501 9.071 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.520 33.027 11.657 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.294 32.107 10.807 1.00 0.00 H new ATOM 0 HG21 ILE A 61 27.037 31.966 10.521 1.00 0.00 H new ATOM 0 HG22 ILE A 61 27.102 32.920 9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.606 33.693 10.544 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.366 30.720 12.571 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.712 30.053 10.957 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.957 30.988 11.820 1.00 0.00 H new ATOM 981 N GLN A 62 25.398 35.092 7.232 1.00 0.00 N ATOM 982 CA GLN A 62 26.142 35.423 6.014 1.00 0.00 C ATOM 983 C GLN A 62 27.644 35.490 6.255 1.00 0.00 C ATOM 984 O GLN A 62 28.115 35.399 7.387 1.00 0.00 O ATOM 985 CB GLN A 62 25.663 36.757 5.443 1.00 0.00 C ATOM 986 CG GLN A 62 24.184 36.650 5.070 1.00 0.00 C ATOM 987 CD GLN A 62 23.700 37.971 4.485 1.00 0.00 C ATOM 988 OE1 GLN A 62 23.657 38.983 5.185 1.00 0.00 O ATOM 989 NE2 GLN A 62 23.328 38.021 3.236 1.00 0.00 N ATOM 0 H GLN A 62 25.008 35.892 7.730 1.00 0.00 H new ATOM 0 HA GLN A 62 25.951 34.622 5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.808 37.551 6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 62 26.252 37.022 4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 62 24.039 35.847 4.347 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.595 36.395 5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 62 23.365 37.181 2.659 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.000 38.900 2.836 1.00 0.00 H new ATOM 998 N LYS A 63 28.382 35.627 5.157 1.00 0.00 N ATOM 999 CA LYS A 63 29.837 35.685 5.220 1.00 0.00 C ATOM 1000 C LYS A 63 30.326 36.839 6.092 1.00 0.00 C ATOM 1001 O LYS A 63 29.705 37.900 6.164 1.00 0.00 O ATOM 1002 CB LYS A 63 30.438 35.794 3.810 1.00 0.00 C ATOM 1003 CG LYS A 63 30.132 37.153 3.171 1.00 0.00 C ATOM 1004 CD LYS A 63 30.667 37.146 1.732 1.00 0.00 C ATOM 1005 CE LYS A 63 30.368 38.481 1.047 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.260 39.538 1.601 1.00 0.00 N ATOM 0 H LYS A 63 27.996 35.700 4.215 1.00 0.00 H new ATOM 0 HA LYS A 63 30.175 34.757 5.680 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.517 35.650 3.862 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.040 34.998 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.058 37.340 3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.598 37.955 3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.742 36.965 1.737 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.210 36.331 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.519 38.391 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.324 38.754 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.178 40.399 1.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.981 39.749 2.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.245 39.204 1.586 1.00 0.00 H new ATOM 1020 N GLU A 64 31.462 36.600 6.740 1.00 0.00 N ATOM 1021 CA GLU A 64 32.091 37.588 7.611 1.00 0.00 C ATOM 1022 C GLU A 64 31.157 38.049 8.729 1.00 0.00 C ATOM 1023 O GLU A 64 30.742 39.209 8.768 1.00 0.00 O ATOM 1024 CB GLU A 64 32.563 38.782 6.782 1.00 0.00 C ATOM 1025 CG GLU A 64 33.512 38.279 5.692 1.00 0.00 C ATOM 1026 CD GLU A 64 34.066 39.449 4.889 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.746 40.578 5.223 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.801 39.199 3.947 1.00 0.00 O ATOM 0 H GLU A 64 31.972 35.719 6.677 1.00 0.00 H new ATOM 0 HA GLU A 64 32.949 37.113 8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.710 39.292 6.334 1.00 0.00 H new ATOM 0 HB3 GLU A 64 33.070 39.507 7.419 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.331 37.720 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.984 37.593 5.030 1.00 0.00 H new HETATM 1035 N SEP A 65 30.863 37.139 9.662 1.00 0.00 N HETATM 1036 CA SEP A 65 30.017 37.443 10.817 1.00 0.00 C HETATM 1037 CB SEP A 65 28.642 36.784 10.655 1.00 0.00 C HETATM 1038 OG SEP A 65 27.882 37.505 9.691 1.00 0.00 O HETATM 1039 C SEP A 65 30.705 36.909 12.070 1.00 0.00 C HETATM 1040 O SEP A 65 31.538 36.005 11.973 1.00 0.00 O HETATM 1041 P SEP A 65 26.907 38.609 10.138 1.00 0.00 P HETATM 1042 O1P SEP A 65 25.670 37.856 10.736 1.00 0.00 O HETATM 1043 O2P SEP A 65 26.572 39.415 8.837 1.00 0.00 O HETATM 1044 O3P SEP A 65 27.695 39.447 11.201 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.758 35.747 10.341 1.00 0.00 H new HETATM 0 HB2 SEP A 65 28.118 36.770 11.611 1.00 0.00 H new HETATM 0 HA SEP A 65 29.873 38.520 10.897 1.00 0.00 H new ATOM 1049 N THR A 66 30.369 37.443 13.245 1.00 0.00 N ATOM 1050 CA THR A 66 30.985 36.965 14.490 1.00 0.00 C ATOM 1051 C THR A 66 30.085 35.941 15.181 1.00 0.00 C ATOM 1052 O THR A 66 28.935 36.229 15.517 1.00 0.00 O ATOM 1053 CB THR A 66 31.242 38.138 15.433 1.00 0.00 C ATOM 1054 OG1 THR A 66 32.106 39.067 14.794 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.900 37.623 16.715 1.00 0.00 C ATOM 0 H THR A 66 29.687 38.192 13.364 1.00 0.00 H new ATOM 0 HA THR A 66 31.932 36.487 14.239 1.00 0.00 H new ATOM 0 HB THR A 66 30.300 38.626 15.682 1.00 0.00 H new ATOM 0 HG1 THR A 66 32.274 39.824 15.394 1.00 0.00 H new ATOM 0 HG21 THR A 66 32.085 38.459 17.390 1.00 0.00 H new ATOM 0 HG22 THR A 66 31.239 36.904 17.200 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.845 37.139 16.470 1.00 0.00 H new ATOM 1063 N LEU A 67 30.628 34.741 15.399 1.00 0.00 N ATOM 1064 CA LEU A 67 29.889 33.664 16.060 1.00 0.00 C ATOM 1065 C LEU A 67 30.237 33.633 17.543 1.00 0.00 C ATOM 1066 O LEU A 67 31.370 33.930 17.920 1.00 0.00 O ATOM 1067 CB LEU A 67 30.258 32.315 15.412 1.00 0.00 C ATOM 1068 CG LEU A 67 29.318 31.206 15.919 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.869 31.488 15.462 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.788 29.852 15.362 1.00 0.00 C ATOM 0 H LEU A 67 31.579 34.491 15.127 1.00 0.00 H new ATOM 0 HA LEU A 67 28.819 33.840 15.948 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.188 32.393 14.327 1.00 0.00 H new ATOM 0 HB3 LEU A 67 31.292 32.061 15.647 1.00 0.00 H new ATOM 0 HG LEU A 67 29.342 31.181 17.008 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.212 30.698 15.826 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.541 32.446 15.864 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.830 31.519 14.373 1.00 0.00 H new ATOM 0 HD21 LEU A 67 29.126 29.063 15.718 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.767 29.880 14.273 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.805 29.653 15.700 1.00 0.00 H new ATOM 1082 N HIS A 68 29.272 33.273 18.395 1.00 0.00 N ATOM 1083 CA HIS A 68 29.526 33.210 19.833 1.00 0.00 C ATOM 1084 C HIS A 68 29.849 31.774 20.253 1.00 0.00 C ATOM 1085 O HIS A 68 29.025 30.873 20.084 1.00 0.00 O ATOM 1086 CB HIS A 68 28.298 33.705 20.602 1.00 0.00 C ATOM 1087 CG HIS A 68 28.162 35.195 20.429 1.00 0.00 C ATOM 1088 ND1 HIS A 68 29.194 36.073 20.730 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.123 35.977 19.989 1.00 0.00 C ATOM 1090 CE1 HIS A 68 28.756 37.319 20.469 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.500 37.317 20.015 1.00 0.00 N ATOM 0 H HIS A 68 28.322 33.025 18.117 1.00 0.00 H new ATOM 0 HA HIS A 68 30.379 33.848 20.064 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.402 33.203 20.238 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.395 33.459 21.659 1.00 0.00 H new ATOM 0 HD2 HIS A 68 26.159 35.608 19.671 1.00 0.00 H new ATOM 0 HE1 HIS A 68 29.348 38.211 20.610 1.00 0.00 H new ATOM 0 HE2 HIS A 68 26.938 38.124 19.745 1.00 0.00 H new ATOM 1100 N LEU A 69 31.048 31.557 20.815 1.00 0.00 N ATOM 1101 CA LEU A 69 31.458 30.244 21.262 1.00 0.00 C ATOM 1102 C LEU A 69 31.454 30.220 22.775 1.00 0.00 C ATOM 1103 O LEU A 69 32.265 30.878 23.429 1.00 0.00 O ATOM 1104 CB LEU A 69 32.860 29.931 20.730 1.00 0.00 C ATOM 1105 CG LEU A 69 33.302 28.516 21.183 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.019 27.809 20.027 1.00 0.00 C ATOM 1107 CD2 LEU A 69 34.253 28.617 22.387 1.00 0.00 C ATOM 0 H LEU A 69 31.744 32.287 20.965 1.00 0.00 H new ATOM 0 HA LEU A 69 30.768 29.489 20.885 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.865 29.990 19.642 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.569 30.675 21.093 1.00 0.00 H new ATOM 0 HG LEU A 69 32.419 27.946 21.473 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.330 26.814 20.346 1.00 0.00 H new ATOM 0 HD12 LEU A 69 33.342 27.723 19.177 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.896 28.387 19.735 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.556 27.617 22.696 1.00 0.00 H new ATOM 0 HD22 LEU A 69 35.135 29.193 22.107 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.743 29.113 23.213 1.00 0.00 H new ATOM 1119 N VAL A 70 30.521 29.464 23.316 1.00 0.00 N ATOM 1120 CA VAL A 70 30.370 29.330 24.761 1.00 0.00 C ATOM 1121 C VAL A 70 30.947 27.997 25.217 1.00 0.00 C ATOM 1122 O VAL A 70 30.779 26.977 24.548 1.00 0.00 O ATOM 1123 CB VAL A 70 28.886 29.410 25.130 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.724 29.278 26.645 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.324 30.759 24.674 1.00 0.00 C ATOM 0 H VAL A 70 29.846 28.925 22.774 1.00 0.00 H new ATOM 0 HA VAL A 70 30.907 30.138 25.258 1.00 0.00 H new ATOM 0 HB VAL A 70 28.346 28.601 24.638 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.667 29.335 26.904 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.126 28.319 26.972 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.263 30.085 27.140 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.267 30.820 24.935 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.867 31.565 25.168 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.437 30.854 23.594 1.00 0.00 H new ATOM 1135 N LEU A 71 31.637 28.014 26.349 1.00 0.00 N ATOM 1136 CA LEU A 71 32.245 26.798 26.886 1.00 0.00 C ATOM 1137 C LEU A 71 31.240 26.037 27.741 1.00 0.00 C ATOM 1138 O LEU A 71 30.136 26.516 28.006 1.00 0.00 O ATOM 1139 CB LEU A 71 33.478 27.149 27.732 1.00 0.00 C ATOM 1140 CG LEU A 71 33.219 28.451 28.524 1.00 0.00 C ATOM 1141 CD1 LEU A 71 34.001 28.414 29.840 1.00 0.00 C ATOM 1142 CD2 LEU A 71 33.675 29.666 27.694 1.00 0.00 C ATOM 0 H LEU A 71 31.791 28.850 26.913 1.00 0.00 H new ATOM 0 HA LEU A 71 32.551 26.169 26.050 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.702 26.333 28.419 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.349 27.272 27.088 1.00 0.00 H new ATOM 0 HG LEU A 71 32.153 28.536 28.734 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.818 29.332 30.398 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.676 27.559 30.432 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.066 28.325 29.628 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.490 30.581 28.257 1.00 0.00 H new ATOM 0 HD22 LEU A 71 34.740 29.581 27.479 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.118 29.697 26.758 1.00 0.00 H new ATOM 1154 N ARG A 72 31.638 24.849 28.174 1.00 0.00 N ATOM 1155 CA ARG A 72 30.777 24.023 29.005 1.00 0.00 C ATOM 1156 C ARG A 72 30.349 24.791 30.249 1.00 0.00 C ATOM 1157 O ARG A 72 29.427 24.384 30.955 1.00 0.00 O ATOM 1158 CB ARG A 72 31.518 22.748 29.413 1.00 0.00 C ATOM 1159 CG ARG A 72 32.777 23.116 30.200 1.00 0.00 C ATOM 1160 CD ARG A 72 33.563 21.844 30.528 1.00 0.00 C ATOM 1161 NE ARG A 72 32.771 20.967 31.383 1.00 0.00 N ATOM 1162 CZ ARG A 72 33.224 19.774 31.751 1.00 0.00 C ATOM 1163 NH1 ARG A 72 32.498 19.008 32.519 1.00 0.00 N ATOM 1164 NH2 ARG A 72 34.395 19.367 31.344 1.00 0.00 N ATOM 0 H ARG A 72 32.548 24.438 27.964 1.00 0.00 H new ATOM 0 HA ARG A 72 29.888 23.756 28.433 1.00 0.00 H new ATOM 0 HB2 ARG A 72 30.869 22.117 30.020 1.00 0.00 H new ATOM 0 HB3 ARG A 72 31.786 22.172 28.527 1.00 0.00 H new ATOM 0 HG2 ARG A 72 33.396 23.799 29.618 1.00 0.00 H new ATOM 0 HG3 ARG A 72 32.506 23.636 31.119 1.00 0.00 H new ATOM 0 HD2 ARG A 72 33.827 21.324 29.607 1.00 0.00 H new ATOM 0 HD3 ARG A 72 34.497 22.104 31.027 1.00 0.00 H new ATOM 0 HE ARG A 72 31.853 21.275 31.704 1.00 0.00 H new ATOM 0 HH11 ARG A 72 31.582 19.326 32.837 1.00 0.00 H new ATOM 0 HH12 ARG A 72 32.846 18.092 32.801 1.00 0.00 H new ATOM 0 HH21 ARG A 72 34.962 19.965 30.743 1.00 0.00 H new ATOM 0 HH22 ARG A 72 34.743 18.451 31.627 1.00 0.00 H new ATOM 1178 N LEU A 73 31.027 25.902 30.509 1.00 0.00 N ATOM 1179 CA LEU A 73 30.711 26.716 31.675 1.00 0.00 C ATOM 1180 C LEU A 73 30.870 25.893 32.952 1.00 0.00 C ATOM 1181 O LEU A 73 29.906 25.667 33.684 1.00 0.00 O ATOM 1182 CB LEU A 73 29.274 27.250 31.576 1.00 0.00 C ATOM 1183 CG LEU A 73 29.055 28.369 32.607 1.00 0.00 C ATOM 1184 CD1 LEU A 73 29.500 29.717 32.026 1.00 0.00 C ATOM 1185 CD2 LEU A 73 27.568 28.447 32.975 1.00 0.00 C ATOM 0 H LEU A 73 31.791 26.257 29.935 1.00 0.00 H new ATOM 0 HA LEU A 73 31.401 27.559 31.707 1.00 0.00 H new ATOM 0 HB2 LEU A 73 29.087 27.629 30.571 1.00 0.00 H new ATOM 0 HB3 LEU A 73 28.564 26.441 31.749 1.00 0.00 H new ATOM 0 HG LEU A 73 29.645 28.147 33.496 1.00 0.00 H new ATOM 0 HD11 LEU A 73 29.340 30.502 32.765 1.00 0.00 H new ATOM 0 HD12 LEU A 73 30.558 29.671 31.769 1.00 0.00 H new ATOM 0 HD13 LEU A 73 28.918 29.937 31.131 1.00 0.00 H new ATOM 0 HD21 LEU A 73 27.415 29.241 33.706 1.00 0.00 H new ATOM 0 HD22 LEU A 73 26.982 28.660 32.081 1.00 0.00 H new ATOM 0 HD23 LEU A 73 27.248 27.496 33.400 1.00 0.00 H new ATOM 1197 N ARG A 74 32.096 25.447 33.210 1.00 0.00 N ATOM 1198 CA ARG A 74 32.381 24.648 34.396 1.00 0.00 C ATOM 1199 C ARG A 74 32.107 25.447 35.666 1.00 0.00 C ATOM 1200 O ARG A 74 31.576 24.916 36.643 1.00 0.00 O ATOM 1201 CB ARG A 74 33.844 24.202 34.378 1.00 0.00 C ATOM 1202 CG ARG A 74 34.091 23.208 35.514 1.00 0.00 C ATOM 1203 CD ARG A 74 35.548 22.741 35.476 1.00 0.00 C ATOM 1204 NE ARG A 74 35.806 21.803 36.563 1.00 0.00 N ATOM 1205 CZ ARG A 74 35.359 20.553 36.511 1.00 0.00 C ATOM 1206 NH1 ARG A 74 35.601 19.732 37.498 1.00 0.00 N ATOM 1207 NH2 ARG A 74 34.678 20.145 35.475 1.00 0.00 N ATOM 0 H ARG A 74 32.905 25.625 32.615 1.00 0.00 H new ATOM 0 HA ARG A 74 31.730 23.774 34.388 1.00 0.00 H new ATOM 0 HB2 ARG A 74 34.082 23.741 33.420 1.00 0.00 H new ATOM 0 HB3 ARG A 74 34.500 25.066 34.488 1.00 0.00 H new ATOM 0 HG2 ARG A 74 33.873 23.675 36.474 1.00 0.00 H new ATOM 0 HG3 ARG A 74 33.421 22.354 35.416 1.00 0.00 H new ATOM 0 HD2 ARG A 74 35.760 22.266 34.518 1.00 0.00 H new ATOM 0 HD3 ARG A 74 36.215 23.599 35.561 1.00 0.00 H new ATOM 0 HE ARG A 74 36.338 22.112 37.376 1.00 0.00 H new ATOM 0 HH11 ARG A 74 36.133 20.051 38.308 1.00 0.00 H new ATOM 0 HH12 ARG A 74 35.258 18.772 37.459 1.00 0.00 H new ATOM 0 HH21 ARG A 74 34.489 20.786 34.705 1.00 0.00 H new ATOM 0 HH22 ARG A 74 34.335 19.185 35.436 1.00 0.00 H new ATOM 1221 N GLY A 75 32.477 26.724 35.648 1.00 0.00 N ATOM 1222 CA GLY A 75 32.269 27.585 36.806 1.00 0.00 C ATOM 1223 C GLY A 75 33.140 28.833 36.721 1.00 0.00 C ATOM 1224 O GLY A 75 33.438 29.322 35.632 1.00 0.00 O ATOM 0 H GLY A 75 32.919 27.182 34.851 1.00 0.00 H new ATOM 0 HA2 GLY A 75 31.219 27.873 36.866 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.502 27.036 37.719 1.00 0.00 H new ATOM 1228 N GLY A 76 33.543 29.348 37.879 1.00 0.00 N ATOM 1229 CA GLY A 76 34.381 30.542 37.924 1.00 0.00 C ATOM 1230 C GLY A 76 33.707 31.707 37.207 1.00 0.00 C ATOM 1231 O GLY A 76 34.247 32.156 36.209 1.00 0.00 O ATOM 1232 OXT GLY A 76 32.659 32.132 37.667 1.00 0.00 O ATOM 0 H GLY A 76 33.305 28.961 38.792 1.00 0.00 H new ATOM 0 HA2 GLY A 76 34.579 30.813 38.961 1.00 0.00 H new ATOM 0 HA3 GLY A 76 35.345 30.333 37.460 1.00 0.00 H new TER 1236 GLY A 76