USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -65:sc= 1.22 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 152:sc= -0.246 (180deg=-0.693) USER MOD Single : A 1 MET N :NH3+ -160:sc= 2.35 (180deg=2.11) USER MOD Single : A 2 GLN : amide:sc= 1.68 K(o=1.7,f=-4!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -135:sc= 1.18 (180deg=-0.686!) USER MOD Single : A 12 THR OG1 : rot 72:sc= 0.271 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0778 X(o=-0.078,f=-0.43) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc=-0.00519 (180deg=-0.0938) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 41 GLN : amide:sc= 1.81 K(o=1.8,f=-2.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.391 K(o=-0.39,f=-4!) USER MOD Single : A 55 THR OG1 : rot -81:sc= 1.39 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 80:sc= 0.991 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 62 GLN : amide:sc= -0.344 X(o=-0.34,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 92:sc= 1.04 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0198 X(o=-0.02,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.328 30.704 16.435 1.00 0.00 N ATOM 2 CA MET A 1 13.332 30.320 17.853 1.00 0.00 C ATOM 3 C MET A 1 14.708 30.743 18.360 1.00 0.00 C ATOM 4 O MET A 1 15.681 30.719 17.611 1.00 0.00 O ATOM 5 CB MET A 1 13.015 28.820 17.885 1.00 0.00 C ATOM 6 CG MET A 1 12.344 28.413 19.205 1.00 0.00 C ATOM 7 SD MET A 1 12.860 26.728 19.634 1.00 0.00 S ATOM 8 CE MET A 1 14.650 26.822 19.905 1.00 0.00 C ATOM 0 H1 MET A 1 12.347 30.770 16.096 1.00 0.00 H new ATOM 0 H2 MET A 1 13.795 31.626 16.324 1.00 0.00 H new ATOM 0 H3 MET A 1 13.839 29.988 15.880 1.00 0.00 H new ATOM 0 HA MET A 1 12.595 30.788 18.505 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.361 28.568 17.050 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.935 28.250 17.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.623 29.106 19.999 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.260 28.461 19.107 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.952 26.049 20.611 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.170 26.672 18.959 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.906 27.802 20.309 1.00 0.00 H new ATOM 20 N GLN A 2 14.797 31.289 19.566 1.00 0.00 N ATOM 21 CA GLN A 2 15.990 31.871 20.139 1.00 0.00 C ATOM 22 C GLN A 2 16.823 31.024 21.097 1.00 0.00 C ATOM 23 O GLN A 2 16.210 30.331 21.913 1.00 0.00 O ATOM 24 CB GLN A 2 15.554 33.200 20.755 1.00 0.00 C ATOM 25 CG GLN A 2 14.675 33.286 22.004 1.00 0.00 C ATOM 26 CD GLN A 2 13.182 32.991 21.937 1.00 0.00 C ATOM 27 OE1 GLN A 2 12.659 32.511 20.932 1.00 0.00 O ATOM 28 NE2 GLN A 2 12.477 32.969 23.068 1.00 0.00 N ATOM 0 H GLN A 2 13.997 31.337 20.197 1.00 0.00 H new ATOM 0 HA GLN A 2 16.711 31.983 19.329 1.00 0.00 H new ATOM 0 HB2 GLN A 2 16.467 33.752 20.979 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.033 33.750 19.971 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.102 32.606 22.741 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.783 34.295 22.401 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.874 33.357 23.924 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.541 32.564 23.078 1.00 0.00 H new ATOM 37 N ILE A 3 18.156 31.046 21.041 1.00 0.00 N ATOM 38 CA ILE A 3 19.075 30.525 22.024 1.00 0.00 C ATOM 39 C ILE A 3 19.957 31.705 22.459 1.00 0.00 C ATOM 40 O ILE A 3 20.139 32.630 21.682 1.00 0.00 O ATOM 41 CB ILE A 3 19.824 29.284 21.536 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.554 29.542 20.219 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.886 28.084 21.396 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.539 28.494 19.686 1.00 0.00 C ATOM 0 H ILE A 3 18.644 31.460 20.247 1.00 0.00 H new ATOM 0 HA ILE A 3 18.554 30.137 22.899 1.00 0.00 H new ATOM 0 HB ILE A 3 20.571 29.050 22.294 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.797 29.700 19.451 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.100 30.479 20.326 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.451 27.219 21.047 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.437 27.858 22.363 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.101 28.318 20.677 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.964 28.840 18.744 1.00 0.00 H new ATOM 0 HD12 ILE A 3 22.338 28.344 20.412 1.00 0.00 H new ATOM 0 HD13 ILE A 3 21.015 27.552 19.523 1.00 0.00 H new ATOM 56 N PHE A 4 20.594 31.527 23.610 1.00 0.00 N ATOM 57 CA PHE A 4 21.781 32.261 24.025 1.00 0.00 C ATOM 58 C PHE A 4 22.936 31.265 23.861 1.00 0.00 C ATOM 59 O PHE A 4 22.850 30.181 24.425 1.00 0.00 O ATOM 60 CB PHE A 4 21.649 32.730 25.462 1.00 0.00 C ATOM 61 CG PHE A 4 20.765 33.947 25.636 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.189 35.201 25.195 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.539 33.822 26.308 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.315 36.278 25.395 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.704 34.912 26.590 1.00 0.00 C ATOM 66 CZ PHE A 4 19.162 36.172 26.181 1.00 0.00 C ATOM 0 H PHE A 4 20.287 30.844 24.303 1.00 0.00 H new ATOM 0 HA PHE A 4 21.940 33.162 23.433 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.249 31.914 26.064 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.641 32.956 25.852 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.149 35.336 24.720 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.224 32.838 26.623 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.539 37.224 24.925 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.758 34.788 27.096 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.624 37.062 26.473 1.00 0.00 H new ATOM 76 N VAL A 5 23.982 31.703 23.178 1.00 0.00 N ATOM 77 CA VAL A 5 25.265 31.035 23.308 1.00 0.00 C ATOM 78 C VAL A 5 26.083 31.904 24.261 1.00 0.00 C ATOM 79 O VAL A 5 26.179 33.113 24.014 1.00 0.00 O ATOM 80 CB VAL A 5 25.942 30.897 21.947 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.380 30.383 22.022 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.045 30.013 21.088 1.00 0.00 C ATOM 0 H VAL A 5 23.970 32.500 22.542 1.00 0.00 H new ATOM 0 HA VAL A 5 25.162 30.021 23.694 1.00 0.00 H new ATOM 0 HB VAL A 5 26.051 31.883 21.496 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.794 30.312 21.016 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.982 31.072 22.614 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.391 29.398 22.489 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.494 29.888 20.102 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.933 29.038 21.562 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.066 30.480 20.984 1.00 0.00 H new ATOM 92 N LYS A 6 26.602 31.298 25.325 1.00 0.00 N ATOM 93 CA LYS A 6 27.427 31.868 26.369 1.00 0.00 C ATOM 94 C LYS A 6 28.782 31.176 26.247 1.00 0.00 C ATOM 95 O LYS A 6 28.921 30.017 25.846 1.00 0.00 O ATOM 96 CB LYS A 6 26.792 31.864 27.763 1.00 0.00 C ATOM 97 CG LYS A 6 27.684 32.436 28.866 1.00 0.00 C ATOM 98 CD LYS A 6 26.909 32.837 30.119 1.00 0.00 C ATOM 99 CE LYS A 6 27.758 33.383 31.272 1.00 0.00 C ATOM 100 NZ LYS A 6 26.934 33.947 32.347 1.00 0.00 N ATOM 0 H LYS A 6 26.436 30.305 25.487 1.00 0.00 H new ATOM 0 HA LYS A 6 27.549 32.942 26.231 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.865 32.437 27.728 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.524 30.840 28.024 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.438 31.696 29.134 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.214 33.307 28.480 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.173 33.592 29.844 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.356 31.968 30.477 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.379 32.583 31.674 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.433 34.150 30.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.550 34.304 33.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.360 34.728 31.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.308 33.209 32.728 1.00 0.00 H new ATOM 114 N THR A 7 29.836 31.788 26.765 1.00 0.00 N ATOM 115 CA THR A 7 31.217 31.387 26.567 1.00 0.00 C ATOM 116 C THR A 7 31.866 31.463 27.943 1.00 0.00 C ATOM 117 O THR A 7 31.358 32.057 28.895 1.00 0.00 O ATOM 118 CB THR A 7 31.834 32.403 25.592 1.00 0.00 C ATOM 119 OG1 THR A 7 31.846 33.724 26.069 1.00 0.00 O ATOM 120 CG2 THR A 7 31.229 32.388 24.185 1.00 0.00 C ATOM 0 H THR A 7 29.747 32.612 27.359 1.00 0.00 H new ATOM 0 HA THR A 7 31.343 30.386 26.156 1.00 0.00 H new ATOM 0 HB THR A 7 32.863 32.051 25.520 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.925 34.043 26.173 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.726 33.136 23.567 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.366 31.402 23.741 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.165 32.615 24.244 1.00 0.00 H new ATOM 128 N LEU A 8 33.069 30.932 28.158 1.00 0.00 N ATOM 129 CA LEU A 8 33.824 30.991 29.396 1.00 0.00 C ATOM 130 C LEU A 8 34.341 32.392 29.740 1.00 0.00 C ATOM 131 O LEU A 8 34.523 32.773 30.890 1.00 0.00 O ATOM 132 CB LEU A 8 35.106 30.154 29.356 1.00 0.00 C ATOM 133 CG LEU A 8 35.931 29.867 30.603 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.352 28.795 31.532 1.00 0.00 C ATOM 135 CD2 LEU A 8 37.354 29.432 30.233 1.00 0.00 C ATOM 0 H LEU A 8 33.565 30.422 27.428 1.00 0.00 H new ATOM 0 HA LEU A 8 33.098 30.628 30.123 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.835 29.187 28.931 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.774 30.639 28.644 1.00 0.00 H new ATOM 0 HG LEU A 8 35.921 30.813 31.144 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.011 28.663 32.390 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.366 29.106 31.876 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.267 27.852 30.991 1.00 0.00 H new ATOM 0 HD21 LEU A 8 37.922 29.233 31.142 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.312 28.527 29.627 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.842 30.226 29.667 1.00 0.00 H new ATOM 147 N THR A 9 34.571 33.232 28.738 1.00 0.00 N ATOM 148 CA THR A 9 34.893 34.622 28.956 1.00 0.00 C ATOM 149 C THR A 9 33.605 35.442 29.113 1.00 0.00 C ATOM 150 O THR A 9 33.669 36.654 29.284 1.00 0.00 O ATOM 151 CB THR A 9 35.859 35.144 27.883 1.00 0.00 C ATOM 152 OG1 THR A 9 35.495 34.911 26.541 1.00 0.00 O ATOM 153 CG2 THR A 9 37.203 34.417 27.996 1.00 0.00 C ATOM 0 H THR A 9 34.538 32.961 27.755 1.00 0.00 H new ATOM 0 HA THR A 9 35.436 34.733 29.894 1.00 0.00 H new ATOM 0 HB THR A 9 35.870 36.216 28.079 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.178 35.286 25.947 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.885 34.791 27.232 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.631 34.595 28.983 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.051 33.347 27.854 1.00 0.00 H new ATOM 161 N GLY A 10 32.407 34.878 29.122 1.00 0.00 N ATOM 162 CA GLY A 10 31.224 35.461 29.721 1.00 0.00 C ATOM 163 C GLY A 10 30.384 36.044 28.577 1.00 0.00 C ATOM 164 O GLY A 10 29.199 36.304 28.740 1.00 0.00 O ATOM 0 H GLY A 10 32.229 33.969 28.696 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.658 34.708 30.270 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.496 36.238 30.435 1.00 0.00 H new ATOM 168 N LYS A 11 31.056 36.359 27.470 1.00 0.00 N ATOM 169 CA LYS A 11 30.607 36.957 26.231 1.00 0.00 C ATOM 170 C LYS A 11 29.390 36.150 25.782 1.00 0.00 C ATOM 171 O LYS A 11 29.535 34.950 25.586 1.00 0.00 O ATOM 172 CB LYS A 11 31.755 36.868 25.217 1.00 0.00 C ATOM 173 CG LYS A 11 31.691 37.929 24.124 1.00 0.00 C ATOM 174 CD LYS A 11 32.622 37.628 22.959 1.00 0.00 C ATOM 175 CE LYS A 11 32.476 38.685 21.854 1.00 0.00 C ATOM 176 NZ LYS A 11 33.393 38.504 20.719 1.00 0.00 N ATOM 0 H LYS A 11 32.058 36.172 27.425 1.00 0.00 H new ATOM 0 HA LYS A 11 30.332 38.007 26.335 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.703 36.961 25.746 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.744 35.881 24.754 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.668 38.005 23.756 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.949 38.899 24.549 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.654 37.603 23.310 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.398 36.641 22.555 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.451 38.668 21.484 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.642 39.672 22.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.814 39.420 20.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.147 37.839 20.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.868 38.125 19.905 1.00 0.00 H new ATOM 190 N THR A 12 28.213 36.765 25.664 1.00 0.00 N ATOM 191 CA THR A 12 26.976 36.074 25.359 1.00 0.00 C ATOM 192 C THR A 12 26.412 36.601 24.042 1.00 0.00 C ATOM 193 O THR A 12 26.224 37.797 23.864 1.00 0.00 O ATOM 194 CB THR A 12 26.054 36.154 26.577 1.00 0.00 C ATOM 195 OG1 THR A 12 26.565 35.234 27.508 1.00 0.00 O ATOM 196 CG2 THR A 12 24.573 35.889 26.284 1.00 0.00 C ATOM 0 H THR A 12 28.099 37.772 25.781 1.00 0.00 H new ATOM 0 HA THR A 12 27.121 35.008 25.184 1.00 0.00 H new ATOM 0 HB THR A 12 26.054 37.177 26.954 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.398 35.583 27.889 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.000 35.968 27.208 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.207 36.623 25.566 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.458 34.887 25.870 1.00 0.00 H new ATOM 204 N ILE A 13 26.286 35.780 22.992 1.00 0.00 N ATOM 205 CA ILE A 13 25.617 35.919 21.722 1.00 0.00 C ATOM 206 C ILE A 13 24.148 35.550 21.921 1.00 0.00 C ATOM 207 O ILE A 13 23.905 34.622 22.683 1.00 0.00 O ATOM 208 CB ILE A 13 26.309 34.931 20.783 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.820 35.120 20.688 1.00 0.00 C ATOM 210 CG2 ILE A 13 25.651 35.024 19.408 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.649 34.122 19.873 1.00 0.00 C ATOM 0 H ILE A 13 26.728 34.862 23.040 1.00 0.00 H new ATOM 0 HA ILE A 13 25.663 36.929 21.315 1.00 0.00 H new ATOM 0 HB ILE A 13 26.181 33.933 21.201 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.001 36.112 20.274 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.215 35.122 21.704 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.134 34.325 18.726 1.00 0.00 H new ATOM 0 HG22 ILE A 13 24.593 34.776 19.493 1.00 0.00 H new ATOM 0 HG23 ILE A 13 25.756 36.038 19.022 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.701 34.405 19.912 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.527 33.122 20.289 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.310 34.128 18.837 1.00 0.00 H new ATOM 223 N THR A 14 23.233 36.335 21.354 1.00 0.00 N ATOM 224 CA THR A 14 21.843 36.001 21.125 1.00 0.00 C ATOM 225 C THR A 14 21.810 35.439 19.696 1.00 0.00 C ATOM 226 O THR A 14 22.541 35.929 18.835 1.00 0.00 O ATOM 227 CB THR A 14 21.050 37.300 21.250 1.00 0.00 C ATOM 228 OG1 THR A 14 21.353 37.974 22.447 1.00 0.00 O ATOM 229 CG2 THR A 14 19.539 37.039 21.226 1.00 0.00 C ATOM 0 H THR A 14 23.463 37.273 21.026 1.00 0.00 H new ATOM 0 HA THR A 14 21.419 35.278 21.822 1.00 0.00 H new ATOM 0 HB THR A 14 21.334 37.914 20.396 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.831 38.802 22.497 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.005 37.985 21.317 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.268 36.558 20.286 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.269 36.388 22.058 1.00 0.00 H new ATOM 237 N LEU A 15 21.148 34.319 19.444 1.00 0.00 N ATOM 238 CA LEU A 15 20.992 33.597 18.188 1.00 0.00 C ATOM 239 C LEU A 15 19.527 33.321 17.852 1.00 0.00 C ATOM 240 O LEU A 15 18.805 33.110 18.828 1.00 0.00 O ATOM 241 CB LEU A 15 21.767 32.283 18.240 1.00 0.00 C ATOM 242 CG LEU A 15 22.844 32.242 17.158 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.962 31.343 17.681 1.00 0.00 C ATOM 244 CD2 LEU A 15 22.367 31.690 15.822 1.00 0.00 C ATOM 0 H LEU A 15 20.653 33.841 20.197 1.00 0.00 H new ATOM 0 HA LEU A 15 21.393 34.234 17.399 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.227 32.166 19.221 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.081 31.446 18.108 1.00 0.00 H new ATOM 0 HG LEU A 15 23.161 33.267 16.966 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.758 31.283 16.939 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.360 31.758 18.607 1.00 0.00 H new ATOM 0 HD13 LEU A 15 23.567 30.345 17.871 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.193 31.696 15.110 1.00 0.00 H new ATOM 0 HD22 LEU A 15 22.011 30.669 15.957 1.00 0.00 H new ATOM 0 HD23 LEU A 15 21.555 32.310 15.441 1.00 0.00 H new ATOM 256 N GLU A 16 19.105 33.396 16.593 1.00 0.00 N ATOM 257 CA GLU A 16 17.809 32.922 16.138 1.00 0.00 C ATOM 258 C GLU A 16 18.098 31.752 15.206 1.00 0.00 C ATOM 259 O GLU A 16 19.031 31.829 14.414 1.00 0.00 O ATOM 260 CB GLU A 16 17.151 34.059 15.356 1.00 0.00 C ATOM 261 CG GLU A 16 16.156 34.850 16.199 1.00 0.00 C ATOM 262 CD GLU A 16 14.836 34.133 16.475 1.00 0.00 C ATOM 263 OE1 GLU A 16 14.759 32.908 16.264 1.00 0.00 O ATOM 264 OE2 GLU A 16 13.881 34.711 17.038 1.00 0.00 O ATOM 0 H GLU A 16 19.671 33.798 15.846 1.00 0.00 H new ATOM 0 HA GLU A 16 17.153 32.618 16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.922 34.733 14.983 1.00 0.00 H new ATOM 0 HB3 GLU A 16 16.639 33.648 14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.625 35.097 17.152 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.943 35.792 15.694 1.00 0.00 H new ATOM 271 N VAL A 17 17.347 30.656 15.334 1.00 0.00 N ATOM 272 CA VAL A 17 17.449 29.296 14.865 1.00 0.00 C ATOM 273 C VAL A 17 16.071 28.623 14.739 1.00 0.00 C ATOM 274 O VAL A 17 15.100 29.222 15.178 1.00 0.00 O ATOM 275 CB VAL A 17 18.483 28.509 15.666 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.867 29.140 15.826 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.016 28.288 17.102 1.00 0.00 C ATOM 0 H VAL A 17 16.490 30.740 15.880 1.00 0.00 H new ATOM 0 HA VAL A 17 17.833 29.309 13.845 1.00 0.00 H new ATOM 0 HB VAL A 17 18.574 27.604 15.065 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.503 28.479 16.415 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.313 29.292 14.843 1.00 0.00 H new ATOM 0 HG13 VAL A 17 19.773 30.100 16.334 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.773 27.725 17.648 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.861 29.252 17.587 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.080 27.729 17.098 1.00 0.00 H new ATOM 287 N GLU A 18 15.904 27.367 14.353 1.00 0.00 N ATOM 288 CA GLU A 18 14.668 26.615 14.290 1.00 0.00 C ATOM 289 C GLU A 18 14.884 25.178 14.770 1.00 0.00 C ATOM 290 O GLU A 18 16.015 24.703 14.648 1.00 0.00 O ATOM 291 CB GLU A 18 13.990 26.717 12.922 1.00 0.00 C ATOM 292 CG GLU A 18 13.166 27.967 12.671 1.00 0.00 C ATOM 293 CD GLU A 18 11.693 27.738 12.990 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.200 26.584 12.970 1.00 0.00 O ATOM 295 OE2 GLU A 18 10.963 28.718 13.244 1.00 0.00 O ATOM 0 H GLU A 18 16.699 26.804 14.051 1.00 0.00 H new ATOM 0 HA GLU A 18 13.958 27.069 14.981 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.760 26.655 12.153 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.342 25.849 12.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.549 28.785 13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.271 28.270 11.629 1.00 0.00 H new ATOM 302 N PRO A 19 13.924 24.513 15.388 1.00 0.00 N ATOM 303 CA PRO A 19 14.089 23.175 15.916 1.00 0.00 C ATOM 304 C PRO A 19 14.696 22.179 14.929 1.00 0.00 C ATOM 305 O PRO A 19 15.439 21.300 15.356 1.00 0.00 O ATOM 306 CB PRO A 19 12.647 22.737 16.223 1.00 0.00 C ATOM 307 CG PRO A 19 11.849 24.014 16.474 1.00 0.00 C ATOM 308 CD PRO A 19 12.615 25.064 15.667 1.00 0.00 C ATOM 0 HA PRO A 19 14.773 23.188 16.764 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.227 22.175 15.389 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.618 22.084 17.095 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.817 23.918 16.135 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.814 24.266 17.534 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.090 25.297 14.741 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.700 25.995 16.228 1.00 0.00 H new ATOM 316 N SER A 20 14.245 22.257 13.686 1.00 0.00 N ATOM 317 CA SER A 20 14.850 21.653 12.520 1.00 0.00 C ATOM 318 C SER A 20 16.343 21.925 12.311 1.00 0.00 C ATOM 319 O SER A 20 16.955 21.095 11.629 1.00 0.00 O ATOM 320 CB SER A 20 14.014 21.957 11.283 1.00 0.00 C ATOM 321 OG SER A 20 14.124 23.292 10.862 1.00 0.00 O ATOM 0 H SER A 20 13.397 22.775 13.457 1.00 0.00 H new ATOM 0 HA SER A 20 14.840 20.580 12.711 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.324 21.299 10.471 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.968 21.733 11.494 1.00 0.00 H new ATOM 0 HG SER A 20 13.570 23.431 10.066 1.00 0.00 H new ATOM 327 N ASP A 21 16.942 23.008 12.782 1.00 0.00 N ATOM 328 CA ASP A 21 18.294 23.463 12.486 1.00 0.00 C ATOM 329 C ASP A 21 19.282 22.499 13.153 1.00 0.00 C ATOM 330 O ASP A 21 19.144 22.094 14.294 1.00 0.00 O ATOM 331 CB ASP A 21 18.673 24.842 13.021 1.00 0.00 C ATOM 332 CG ASP A 21 18.113 26.007 12.228 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.291 25.844 11.312 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.589 27.129 12.520 1.00 0.00 O ATOM 0 H ASP A 21 16.463 23.637 13.427 1.00 0.00 H new ATOM 0 HA ASP A 21 18.333 23.505 11.397 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.329 24.924 14.052 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.760 24.923 13.040 1.00 0.00 H new ATOM 339 N THR A 22 20.218 21.972 12.368 1.00 0.00 N ATOM 340 CA THR A 22 21.236 21.022 12.775 1.00 0.00 C ATOM 341 C THR A 22 22.256 21.595 13.769 1.00 0.00 C ATOM 342 O THR A 22 22.594 22.773 13.768 1.00 0.00 O ATOM 343 CB THR A 22 21.907 20.477 11.517 1.00 0.00 C ATOM 344 OG1 THR A 22 22.401 21.518 10.710 1.00 0.00 O ATOM 345 CG2 THR A 22 21.051 19.499 10.705 1.00 0.00 C ATOM 0 H THR A 22 20.286 22.213 11.379 1.00 0.00 H new ATOM 0 HA THR A 22 20.752 20.215 13.325 1.00 0.00 H new ATOM 0 HB THR A 22 22.746 19.882 11.879 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.827 21.140 9.913 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.610 19.165 9.831 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.797 18.638 11.323 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.137 19.997 10.383 1.00 0.00 H new ATOM 353 N ILE A 23 22.776 20.718 14.619 1.00 0.00 N ATOM 354 CA ILE A 23 24.027 21.008 15.291 1.00 0.00 C ATOM 355 C ILE A 23 25.007 20.537 14.210 1.00 0.00 C ATOM 356 O ILE A 23 25.395 19.377 14.126 1.00 0.00 O ATOM 357 CB ILE A 23 24.123 20.356 16.678 1.00 0.00 C ATOM 358 CG1 ILE A 23 22.922 20.629 17.581 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.513 20.383 17.290 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.851 22.012 18.241 1.00 0.00 C ATOM 0 H ILE A 23 22.357 19.818 14.853 1.00 0.00 H new ATOM 0 HA ILE A 23 24.206 22.042 15.586 1.00 0.00 H new ATOM 0 HB ILE A 23 24.009 19.283 16.521 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.016 20.487 16.992 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.912 19.876 18.369 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.489 19.902 18.268 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.207 19.850 16.640 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.841 21.416 17.402 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.952 22.077 18.855 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.730 22.162 18.868 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.820 22.782 17.470 1.00 0.00 H new ATOM 372 N GLU A 24 25.310 21.515 13.374 1.00 0.00 N ATOM 373 CA GLU A 24 26.282 21.563 12.298 1.00 0.00 C ATOM 374 C GLU A 24 26.216 23.012 11.815 1.00 0.00 C ATOM 375 O GLU A 24 27.185 23.767 11.918 1.00 0.00 O ATOM 376 CB GLU A 24 26.046 20.495 11.223 1.00 0.00 C ATOM 377 CG GLU A 24 26.903 20.395 9.958 1.00 0.00 C ATOM 378 CD GLU A 24 28.396 20.200 10.220 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.876 20.973 11.079 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.032 19.413 9.500 1.00 0.00 O ATOM 0 H GLU A 24 24.817 22.405 13.444 1.00 0.00 H new ATOM 0 HA GLU A 24 27.292 21.309 12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.115 19.529 11.723 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.014 20.609 10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.541 19.563 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.765 21.301 9.368 1.00 0.00 H new ATOM 387 N ASN A 25 25.059 23.442 11.343 1.00 0.00 N ATOM 388 CA ASN A 25 24.778 24.736 10.751 1.00 0.00 C ATOM 389 C ASN A 25 24.781 25.939 11.704 1.00 0.00 C ATOM 390 O ASN A 25 25.405 26.924 11.295 1.00 0.00 O ATOM 391 CB ASN A 25 23.438 24.522 10.042 1.00 0.00 C ATOM 392 CG ASN A 25 23.172 25.663 9.079 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.718 26.753 9.420 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.336 25.443 7.771 1.00 0.00 N ATOM 0 H ASN A 25 24.229 22.849 11.366 1.00 0.00 H new ATOM 0 HA ASN A 25 25.584 25.030 10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.450 23.575 9.502 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.635 24.460 10.776 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.087 26.167 7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.710 24.551 7.447 1.00 0.00 H new ATOM 401 N VAL A 26 24.262 25.825 12.919 1.00 0.00 N ATOM 402 CA VAL A 26 24.517 26.690 14.055 1.00 0.00 C ATOM 403 C VAL A 26 26.003 26.974 14.312 1.00 0.00 C ATOM 404 O VAL A 26 26.372 28.146 14.406 1.00 0.00 O ATOM 405 CB VAL A 26 23.715 26.217 15.267 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.648 27.365 16.281 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.282 25.780 14.956 1.00 0.00 C ATOM 0 H VAL A 26 23.609 25.076 13.149 1.00 0.00 H new ATOM 0 HA VAL A 26 24.147 27.686 13.810 1.00 0.00 H new ATOM 0 HB VAL A 26 24.234 25.337 15.648 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.079 27.046 17.154 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.658 27.640 16.586 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.160 28.226 15.824 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.791 25.461 15.876 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.733 26.616 14.522 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.300 24.951 14.248 1.00 0.00 H new ATOM 417 N LYS A 27 26.888 25.987 14.260 1.00 0.00 N ATOM 418 CA LYS A 27 28.306 26.136 14.557 1.00 0.00 C ATOM 419 C LYS A 27 29.023 26.920 13.466 1.00 0.00 C ATOM 420 O LYS A 27 30.080 27.406 13.859 1.00 0.00 O ATOM 421 CB LYS A 27 28.883 24.733 14.694 1.00 0.00 C ATOM 422 CG LYS A 27 28.122 23.882 15.721 1.00 0.00 C ATOM 423 CD LYS A 27 28.508 22.407 15.824 1.00 0.00 C ATOM 424 CE LYS A 27 29.911 21.996 16.258 1.00 0.00 C ATOM 425 NZ LYS A 27 29.997 20.535 16.126 1.00 0.00 N ATOM 0 H LYS A 27 26.631 25.034 14.003 1.00 0.00 H new ATOM 0 HA LYS A 27 28.444 26.701 15.479 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.856 24.236 13.724 1.00 0.00 H new ATOM 0 HB3 LYS A 27 29.930 24.801 14.988 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.256 24.336 16.703 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.059 23.938 15.486 1.00 0.00 H new ATOM 0 HD2 LYS A 27 27.809 21.941 16.518 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.332 21.961 14.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.664 22.483 15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.100 22.301 17.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.944 20.216 16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.281 20.089 16.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.827 20.265 15.136 1.00 0.00 H new ATOM 439 N ALA A 28 28.518 27.133 12.247 1.00 0.00 N ATOM 440 CA ALA A 28 29.149 27.849 11.155 1.00 0.00 C ATOM 441 C ALA A 28 28.899 29.328 11.446 1.00 0.00 C ATOM 442 O ALA A 28 29.719 30.211 11.205 1.00 0.00 O ATOM 443 CB ALA A 28 28.511 27.476 9.824 1.00 0.00 C ATOM 0 H ALA A 28 27.595 26.783 11.989 1.00 0.00 H new ATOM 0 HA ALA A 28 30.210 27.610 11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.000 28.025 9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.624 26.405 9.654 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.451 27.730 9.845 1.00 0.00 H new ATOM 449 N LYS A 29 27.734 29.662 12.000 1.00 0.00 N ATOM 450 CA LYS A 29 27.299 31.011 12.283 1.00 0.00 C ATOM 451 C LYS A 29 28.140 31.620 13.402 1.00 0.00 C ATOM 452 O LYS A 29 28.621 32.748 13.388 1.00 0.00 O ATOM 453 CB LYS A 29 25.820 31.047 12.677 1.00 0.00 C ATOM 454 CG LYS A 29 24.981 30.985 11.405 1.00 0.00 C ATOM 455 CD LYS A 29 23.553 30.450 11.531 1.00 0.00 C ATOM 456 CE LYS A 29 22.739 30.434 10.235 1.00 0.00 C ATOM 457 NZ LYS A 29 21.302 30.233 10.438 1.00 0.00 N ATOM 0 H LYS A 29 27.044 28.962 12.272 1.00 0.00 H new ATOM 0 HA LYS A 29 27.430 31.596 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.581 30.208 13.330 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.598 31.957 13.234 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.929 31.990 10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.511 30.365 10.682 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.597 29.434 11.924 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.021 31.054 12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.893 31.376 9.709 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.119 29.643 9.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.818 30.234 9.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.143 29.321 10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.924 31.001 11.029 1.00 0.00 H new ATOM 471 N ILE A 30 28.478 30.727 14.327 1.00 0.00 N ATOM 472 CA ILE A 30 29.345 31.064 15.446 1.00 0.00 C ATOM 473 C ILE A 30 30.766 31.284 14.934 1.00 0.00 C ATOM 474 O ILE A 30 31.548 32.126 15.386 1.00 0.00 O ATOM 475 CB ILE A 30 29.299 29.993 16.537 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.961 29.790 17.251 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.411 30.117 17.585 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.553 31.025 18.064 1.00 0.00 C ATOM 0 H ILE A 30 28.161 29.758 14.321 1.00 0.00 H new ATOM 0 HA ILE A 30 28.988 31.986 15.904 1.00 0.00 H new ATOM 0 HB ILE A 30 29.463 29.099 15.935 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.187 29.568 16.516 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.030 28.926 17.913 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.307 29.321 18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.382 30.035 17.097 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.336 31.084 18.083 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.598 30.838 18.555 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.313 31.232 18.817 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.458 31.883 17.399 1.00 0.00 H new ATOM 490 N GLN A 31 31.283 30.391 14.094 1.00 0.00 N ATOM 491 CA GLN A 31 32.628 30.437 13.546 1.00 0.00 C ATOM 492 C GLN A 31 32.786 31.784 12.850 1.00 0.00 C ATOM 493 O GLN A 31 33.775 32.444 13.174 1.00 0.00 O ATOM 494 CB GLN A 31 32.829 29.189 12.677 1.00 0.00 C ATOM 495 CG GLN A 31 34.035 29.316 11.746 1.00 0.00 C ATOM 496 CD GLN A 31 34.198 28.031 10.966 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.279 27.300 10.604 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.463 27.703 10.674 1.00 0.00 N ATOM 0 H GLN A 31 30.752 29.585 13.766 1.00 0.00 H new ATOM 0 HA GLN A 31 33.424 30.393 14.290 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.960 28.319 13.320 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.932 29.014 12.083 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.896 30.155 11.064 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.936 29.521 12.324 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.228 28.307 10.973 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.661 26.849 10.153 1.00 0.00 H new ATOM 507 N ASP A 32 31.875 32.309 12.028 1.00 0.00 N ATOM 508 CA ASP A 32 31.703 33.609 11.423 1.00 0.00 C ATOM 509 C ASP A 32 31.858 34.755 12.437 1.00 0.00 C ATOM 510 O ASP A 32 32.733 35.578 12.203 1.00 0.00 O ATOM 511 CB ASP A 32 30.495 33.476 10.498 1.00 0.00 C ATOM 512 CG ASP A 32 30.024 34.809 9.942 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.246 35.574 10.556 1.00 0.00 O ATOM 514 OD2 ASP A 32 30.437 35.219 8.832 1.00 0.00 O ATOM 0 H ASP A 32 31.108 31.707 11.727 1.00 0.00 H new ATOM 0 HA ASP A 32 32.501 33.947 10.762 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.749 32.813 9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.676 33.006 11.044 1.00 0.00 H new ATOM 519 N LYS A 33 31.086 34.758 13.523 1.00 0.00 N ATOM 520 CA LYS A 33 31.211 35.754 14.565 1.00 0.00 C ATOM 521 C LYS A 33 32.560 35.609 15.264 1.00 0.00 C ATOM 522 O LYS A 33 33.181 36.616 15.621 1.00 0.00 O ATOM 523 CB LYS A 33 30.182 35.523 15.666 1.00 0.00 C ATOM 524 CG LYS A 33 28.762 35.892 15.246 1.00 0.00 C ATOM 525 CD LYS A 33 27.626 35.775 16.264 1.00 0.00 C ATOM 526 CE LYS A 33 26.350 36.424 15.744 1.00 0.00 C ATOM 527 NZ LYS A 33 26.394 37.893 15.690 1.00 0.00 N ATOM 0 H LYS A 33 30.358 34.065 13.697 1.00 0.00 H new ATOM 0 HA LYS A 33 31.084 36.725 14.087 1.00 0.00 H new ATOM 0 HB2 LYS A 33 30.206 34.474 15.963 1.00 0.00 H new ATOM 0 HB3 LYS A 33 30.459 36.109 16.543 1.00 0.00 H new ATOM 0 HG2 LYS A 33 28.782 36.924 14.895 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.501 35.269 14.391 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.439 34.724 16.484 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.923 36.249 17.200 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.144 36.042 14.744 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.518 36.121 16.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.439 38.262 15.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.741 38.264 16.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.033 38.193 14.927 1.00 0.00 H new ATOM 541 N GLU A 34 33.006 34.424 15.673 1.00 0.00 N ATOM 542 CA GLU A 34 33.857 34.208 16.829 1.00 0.00 C ATOM 543 C GLU A 34 35.161 33.450 16.577 1.00 0.00 C ATOM 544 O GLU A 34 36.062 33.476 17.409 1.00 0.00 O ATOM 545 CB GLU A 34 33.099 33.507 17.959 1.00 0.00 C ATOM 546 CG GLU A 34 32.163 34.423 18.758 1.00 0.00 C ATOM 547 CD GLU A 34 32.757 35.686 19.359 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.907 35.618 19.854 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.267 36.794 19.052 1.00 0.00 O ATOM 0 H GLU A 34 32.773 33.558 15.187 1.00 0.00 H new ATOM 0 HA GLU A 34 34.145 35.221 17.110 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.514 32.690 17.536 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.821 33.061 18.642 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.342 34.716 18.104 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.731 33.836 19.569 1.00 0.00 H new ATOM 556 N GLY A 35 35.268 32.779 15.435 1.00 0.00 N ATOM 557 CA GLY A 35 36.563 32.515 14.831 1.00 0.00 C ATOM 558 C GLY A 35 36.983 31.080 15.156 1.00 0.00 C ATOM 559 O GLY A 35 38.055 30.678 14.728 1.00 0.00 O ATOM 0 H GLY A 35 34.474 32.410 14.912 1.00 0.00 H new ATOM 0 HA2 GLY A 35 36.510 32.656 13.751 1.00 0.00 H new ATOM 0 HA3 GLY A 35 37.305 33.219 15.209 1.00 0.00 H new ATOM 563 N ILE A 36 36.056 30.358 15.774 1.00 0.00 N ATOM 564 CA ILE A 36 36.395 29.127 16.460 1.00 0.00 C ATOM 565 C ILE A 36 36.023 28.004 15.490 1.00 0.00 C ATOM 566 O ILE A 36 34.864 28.046 15.086 1.00 0.00 O ATOM 567 CB ILE A 36 35.516 29.025 17.700 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.501 30.311 18.540 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.938 27.799 18.503 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.435 30.348 19.629 1.00 0.00 C ATOM 0 H ILE A 36 35.067 30.607 15.812 1.00 0.00 H new ATOM 0 HA ILE A 36 37.444 29.079 16.752 1.00 0.00 H new ATOM 0 HB ILE A 36 34.481 28.902 17.382 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.479 30.437 19.004 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.351 31.162 17.875 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.315 27.715 19.394 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.818 26.905 17.891 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.982 27.899 18.798 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.500 31.292 20.170 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.448 30.257 19.175 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.594 29.521 20.322 1.00 0.00 H new ATOM 582 N PRO A 37 36.876 27.091 15.025 1.00 0.00 N ATOM 583 CA PRO A 37 36.423 25.967 14.226 1.00 0.00 C ATOM 584 C PRO A 37 35.416 25.068 14.943 1.00 0.00 C ATOM 585 O PRO A 37 35.619 24.787 16.124 1.00 0.00 O ATOM 586 CB PRO A 37 37.671 25.146 13.902 1.00 0.00 C ATOM 587 CG PRO A 37 38.812 25.886 14.624 1.00 0.00 C ATOM 588 CD PRO A 37 38.271 27.084 15.402 1.00 0.00 C ATOM 0 HA PRO A 37 35.910 26.350 13.344 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.575 24.120 14.257 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.846 25.096 12.827 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.321 25.204 15.305 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.552 26.222 13.897 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.401 26.963 16.477 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.773 28.011 15.123 1.00 0.00 H new ATOM 596 N PRO A 38 34.327 24.646 14.303 1.00 0.00 N ATOM 597 CA PRO A 38 33.309 23.720 14.732 1.00 0.00 C ATOM 598 C PRO A 38 33.721 22.562 15.642 1.00 0.00 C ATOM 599 O PRO A 38 32.933 22.062 16.437 1.00 0.00 O ATOM 600 CB PRO A 38 32.541 23.320 13.474 1.00 0.00 C ATOM 601 CG PRO A 38 32.592 24.573 12.594 1.00 0.00 C ATOM 602 CD PRO A 38 33.928 25.185 13.025 1.00 0.00 C ATOM 0 HA PRO A 38 32.666 24.232 15.448 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.003 22.466 12.979 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.514 23.037 13.706 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.574 24.331 11.531 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.753 25.243 12.782 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.692 24.974 12.277 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.837 26.269 13.091 1.00 0.00 H new ATOM 610 N ASP A 39 34.892 21.952 15.454 1.00 0.00 N ATOM 611 CA ASP A 39 35.292 20.755 16.161 1.00 0.00 C ATOM 612 C ASP A 39 35.800 21.204 17.540 1.00 0.00 C ATOM 613 O ASP A 39 35.476 20.552 18.530 1.00 0.00 O ATOM 614 CB ASP A 39 36.419 20.140 15.325 1.00 0.00 C ATOM 615 CG ASP A 39 37.255 19.086 16.034 1.00 0.00 C ATOM 616 OD1 ASP A 39 36.875 17.915 16.193 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.352 19.510 16.479 1.00 0.00 O ATOM 0 H ASP A 39 35.593 22.288 14.794 1.00 0.00 H new ATOM 0 HA ASP A 39 34.492 20.028 16.300 1.00 0.00 H new ATOM 0 HB2 ASP A 39 35.983 19.693 14.431 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.080 20.940 14.992 1.00 0.00 H new ATOM 622 N GLN A 40 36.385 22.398 17.592 1.00 0.00 N ATOM 623 CA GLN A 40 37.087 22.991 18.722 1.00 0.00 C ATOM 624 C GLN A 40 36.014 23.776 19.493 1.00 0.00 C ATOM 625 O GLN A 40 36.320 24.093 20.636 1.00 0.00 O ATOM 626 CB GLN A 40 38.316 23.784 18.306 1.00 0.00 C ATOM 627 CG GLN A 40 39.480 22.905 17.837 1.00 0.00 C ATOM 628 CD GLN A 40 40.693 23.699 17.377 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.799 24.877 17.718 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.532 23.138 16.508 1.00 0.00 N ATOM 0 H GLN A 40 36.379 23.021 16.784 1.00 0.00 H new ATOM 0 HA GLN A 40 37.532 22.243 19.378 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.042 24.469 17.504 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.647 24.394 19.147 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.776 22.243 18.651 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.139 22.271 17.019 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.416 22.159 16.247 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.290 23.687 16.104 1.00 0.00 H new ATOM 639 N GLN A 41 34.798 24.018 19.033 1.00 0.00 N ATOM 640 CA GLN A 41 33.625 24.555 19.697 1.00 0.00 C ATOM 641 C GLN A 41 33.068 23.377 20.508 1.00 0.00 C ATOM 642 O GLN A 41 32.321 22.585 19.941 1.00 0.00 O ATOM 643 CB GLN A 41 32.586 24.884 18.629 1.00 0.00 C ATOM 644 CG GLN A 41 32.865 26.228 17.936 1.00 0.00 C ATOM 645 CD GLN A 41 31.863 26.577 16.850 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.711 26.173 16.984 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.277 27.285 15.797 1.00 0.00 N ATOM 0 H GLN A 41 34.585 23.815 18.056 1.00 0.00 H new ATOM 0 HA GLN A 41 33.850 25.436 20.298 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.571 24.089 17.883 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.596 24.912 19.085 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.865 27.019 18.685 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.864 26.201 17.501 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.247 27.594 15.740 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.623 27.517 15.049 1.00 0.00 H new ATOM 656 N ARG A 42 33.414 23.248 21.784 1.00 0.00 N ATOM 657 CA ARG A 42 32.875 22.195 22.636 1.00 0.00 C ATOM 658 C ARG A 42 31.623 22.745 23.318 1.00 0.00 C ATOM 659 O ARG A 42 31.743 23.774 23.979 1.00 0.00 O ATOM 660 CB ARG A 42 33.815 21.761 23.754 1.00 0.00 C ATOM 661 CG ARG A 42 35.195 21.383 23.214 1.00 0.00 C ATOM 662 CD ARG A 42 35.234 20.478 21.980 1.00 0.00 C ATOM 663 NE ARG A 42 34.990 19.059 22.239 1.00 0.00 N ATOM 664 CZ ARG A 42 35.124 18.012 21.418 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.251 18.261 20.103 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.068 16.729 21.802 1.00 0.00 N ATOM 0 H ARG A 42 34.073 23.868 22.255 1.00 0.00 H new ATOM 0 HA ARG A 42 32.694 21.334 21.993 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.916 22.568 24.479 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.385 20.910 24.282 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.730 22.303 22.977 1.00 0.00 H new ATOM 0 HG3 ARG A 42 35.748 20.890 24.013 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.491 20.833 21.265 1.00 0.00 H new ATOM 0 HD3 ARG A 42 36.209 20.581 21.504 1.00 0.00 H new ATOM 0 HE ARG A 42 34.672 18.836 23.182 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.243 19.223 19.763 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.355 17.488 19.445 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.913 16.497 22.783 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.180 15.985 21.113 1.00 0.00 H new ATOM 680 N LEU A 43 30.455 22.139 23.129 1.00 0.00 N ATOM 681 CA LEU A 43 29.177 22.744 23.433 1.00 0.00 C ATOM 682 C LEU A 43 28.248 21.933 24.346 1.00 0.00 C ATOM 683 O LEU A 43 27.877 20.818 23.997 1.00 0.00 O ATOM 684 CB LEU A 43 28.498 23.175 22.127 1.00 0.00 C ATOM 685 CG LEU A 43 29.283 24.022 21.129 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.908 23.629 19.703 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.172 25.537 21.328 1.00 0.00 C ATOM 0 H LEU A 43 30.376 21.194 22.752 1.00 0.00 H new ATOM 0 HA LEU A 43 29.393 23.619 24.046 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.176 22.271 21.610 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.597 23.729 22.392 1.00 0.00 H new ATOM 0 HG LEU A 43 30.333 23.800 21.319 1.00 0.00 H new ATOM 0 HD11 LEU A 43 29.473 24.238 18.997 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.142 22.577 19.542 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.841 23.791 19.550 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.765 26.048 20.570 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.129 25.840 21.238 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.543 25.802 22.318 1.00 0.00 H new ATOM 699 N ILE A 44 27.846 22.564 25.440 1.00 0.00 N ATOM 700 CA ILE A 44 27.238 21.919 26.590 1.00 0.00 C ATOM 701 C ILE A 44 26.090 22.822 27.035 1.00 0.00 C ATOM 702 O ILE A 44 26.230 24.039 27.174 1.00 0.00 O ATOM 703 CB ILE A 44 28.168 21.564 27.751 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.500 20.894 27.439 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.346 20.642 28.658 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.561 21.832 26.861 1.00 0.00 C ATOM 0 H ILE A 44 27.938 23.574 25.553 1.00 0.00 H new ATOM 0 HA ILE A 44 26.900 20.932 26.273 1.00 0.00 H new ATOM 0 HB ILE A 44 28.484 22.512 28.187 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.889 20.445 28.353 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.327 20.082 26.733 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.949 20.344 29.516 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.457 21.170 29.004 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.047 19.755 28.100 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.476 21.272 26.669 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.197 22.263 25.928 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.767 22.631 27.573 1.00 0.00 H new ATOM 718 N PHE A 45 24.976 22.134 27.274 1.00 0.00 N ATOM 719 CA PHE A 45 23.874 22.603 28.085 1.00 0.00 C ATOM 720 C PHE A 45 23.474 21.682 29.240 1.00 0.00 C ATOM 721 O PHE A 45 23.004 22.232 30.232 1.00 0.00 O ATOM 722 CB PHE A 45 22.674 23.183 27.312 1.00 0.00 C ATOM 723 CG PHE A 45 21.678 22.236 26.698 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.100 21.158 25.910 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.308 22.399 26.961 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.153 20.307 25.329 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.386 21.475 26.474 1.00 0.00 C ATOM 728 CZ PHE A 45 19.794 20.410 25.661 1.00 0.00 C ATOM 0 H PHE A 45 24.818 21.202 26.891 1.00 0.00 H new ATOM 0 HA PHE A 45 24.315 23.473 28.572 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.130 23.838 27.992 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.069 23.810 26.513 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.154 20.984 25.751 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.968 23.243 27.543 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.473 19.561 24.616 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.341 21.581 26.727 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.080 19.686 25.299 1.00 0.00 H new ATOM 738 N ALA A 46 23.693 20.376 29.114 1.00 0.00 N ATOM 739 CA ALA A 46 23.094 19.403 30.007 1.00 0.00 C ATOM 740 C ALA A 46 23.997 18.162 30.069 1.00 0.00 C ATOM 741 O ALA A 46 23.553 17.013 30.123 1.00 0.00 O ATOM 742 CB ALA A 46 21.605 19.121 29.809 1.00 0.00 C ATOM 0 H ALA A 46 24.288 19.969 28.392 1.00 0.00 H new ATOM 0 HA ALA A 46 23.056 19.855 30.998 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.276 18.378 30.535 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.039 20.042 29.949 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.437 18.742 28.801 1.00 0.00 H new ATOM 748 N GLY A 47 25.297 18.392 30.175 1.00 0.00 N ATOM 749 CA GLY A 47 26.340 17.504 30.657 1.00 0.00 C ATOM 750 C GLY A 47 27.255 16.848 29.624 1.00 0.00 C ATOM 751 O GLY A 47 28.351 16.458 30.022 1.00 0.00 O ATOM 0 H GLY A 47 25.684 19.294 29.898 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.966 18.068 31.348 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.864 16.711 31.233 1.00 0.00 H new ATOM 755 N LYS A 48 27.058 16.928 28.311 1.00 0.00 N ATOM 756 CA LYS A 48 27.694 16.247 27.202 1.00 0.00 C ATOM 757 C LYS A 48 27.652 17.104 25.940 1.00 0.00 C ATOM 758 O LYS A 48 26.737 17.900 25.733 1.00 0.00 O ATOM 759 CB LYS A 48 27.419 14.745 27.066 1.00 0.00 C ATOM 760 CG LYS A 48 25.962 14.280 27.063 1.00 0.00 C ATOM 761 CD LYS A 48 25.851 12.759 26.939 1.00 0.00 C ATOM 762 CE LYS A 48 24.566 12.147 27.484 1.00 0.00 C ATOM 763 NZ LYS A 48 24.621 10.689 27.346 1.00 0.00 N ATOM 0 H LYS A 48 26.344 17.566 27.959 1.00 0.00 H new ATOM 0 HA LYS A 48 28.752 16.162 27.448 1.00 0.00 H new ATOM 0 HB2 LYS A 48 27.881 14.403 26.140 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.930 14.236 27.883 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.474 14.606 27.982 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.432 14.752 26.236 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.943 12.490 25.887 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.696 12.307 27.458 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.437 12.419 28.532 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.705 12.542 26.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.744 10.272 27.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 24.725 10.439 26.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.434 10.320 27.880 1.00 0.00 H new ATOM 777 N GLN A 49 28.695 16.955 25.125 1.00 0.00 N ATOM 778 CA GLN A 49 28.843 17.545 23.807 1.00 0.00 C ATOM 779 C GLN A 49 27.695 17.174 22.860 1.00 0.00 C ATOM 780 O GLN A 49 27.220 16.040 22.825 1.00 0.00 O ATOM 781 CB GLN A 49 30.176 17.054 23.247 1.00 0.00 C ATOM 782 CG GLN A 49 31.330 18.042 23.060 1.00 0.00 C ATOM 783 CD GLN A 49 31.099 18.888 21.820 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.132 19.647 21.749 1.00 0.00 O ATOM 785 NE2 GLN A 49 32.052 18.868 20.893 1.00 0.00 N ATOM 0 H GLN A 49 29.501 16.387 25.386 1.00 0.00 H new ATOM 0 HA GLN A 49 28.818 18.631 23.892 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.531 16.259 23.902 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.974 16.601 22.276 1.00 0.00 H new ATOM 0 HG2 GLN A 49 31.415 18.684 23.937 1.00 0.00 H new ATOM 0 HG3 GLN A 49 32.271 17.500 22.970 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.839 18.226 20.984 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.996 19.495 20.090 1.00 0.00 H new ATOM 794 N LEU A 50 27.217 18.111 22.048 1.00 0.00 N ATOM 795 CA LEU A 50 26.064 17.867 21.203 1.00 0.00 C ATOM 796 C LEU A 50 26.545 17.137 19.954 1.00 0.00 C ATOM 797 O LEU A 50 27.546 17.618 19.425 1.00 0.00 O ATOM 798 CB LEU A 50 25.315 19.147 20.832 1.00 0.00 C ATOM 799 CG LEU A 50 24.641 19.801 22.035 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.400 21.292 21.794 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.280 19.188 22.350 1.00 0.00 C ATOM 0 H LEU A 50 27.614 19.046 21.960 1.00 0.00 H new ATOM 0 HA LEU A 50 25.348 17.259 21.756 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.012 19.854 20.382 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.562 18.918 20.078 1.00 0.00 H new ATOM 0 HG LEU A 50 25.326 19.638 22.867 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.919 21.729 22.669 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.353 21.791 21.617 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.756 21.421 20.924 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.846 19.691 23.214 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.620 19.307 21.491 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.401 18.127 22.570 1.00 0.00 H new ATOM 813 N GLU A 51 25.834 16.102 19.502 1.00 0.00 N ATOM 814 CA GLU A 51 26.354 15.256 18.447 1.00 0.00 C ATOM 815 C GLU A 51 26.090 15.890 17.075 1.00 0.00 C ATOM 816 O GLU A 51 25.053 16.510 16.861 1.00 0.00 O ATOM 817 CB GLU A 51 25.671 13.888 18.511 1.00 0.00 C ATOM 818 CG GLU A 51 26.217 12.765 17.636 1.00 0.00 C ATOM 819 CD GLU A 51 25.373 11.497 17.663 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.122 11.533 17.760 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.056 10.451 17.575 1.00 0.00 O ATOM 0 H GLU A 51 24.912 15.839 19.849 1.00 0.00 H new ATOM 0 HA GLU A 51 27.429 15.142 18.584 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.704 13.548 19.546 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.621 14.028 18.255 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.289 13.120 16.608 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.229 12.523 17.961 1.00 0.00 H new ATOM 828 N ASP A 52 27.110 15.754 16.237 1.00 0.00 N ATOM 829 CA ASP A 52 27.080 16.060 14.815 1.00 0.00 C ATOM 830 C ASP A 52 25.891 15.581 13.988 1.00 0.00 C ATOM 831 O ASP A 52 25.831 14.375 13.762 1.00 0.00 O ATOM 832 CB ASP A 52 28.431 15.559 14.316 1.00 0.00 C ATOM 833 CG ASP A 52 28.747 15.934 12.870 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.877 17.104 12.460 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.840 15.019 12.012 1.00 0.00 O ATOM 0 H ASP A 52 28.020 15.412 16.545 1.00 0.00 H new ATOM 0 HA ASP A 52 26.920 17.130 14.679 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.214 15.958 14.961 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.461 14.474 14.412 1.00 0.00 H new ATOM 840 N GLY A 53 25.045 16.454 13.446 1.00 0.00 N ATOM 841 CA GLY A 53 24.119 16.066 12.401 1.00 0.00 C ATOM 842 C GLY A 53 22.724 15.997 13.035 1.00 0.00 C ATOM 843 O GLY A 53 21.759 15.844 12.293 1.00 0.00 O ATOM 0 H GLY A 53 24.987 17.435 13.718 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.135 16.788 11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.398 15.101 11.978 1.00 0.00 H new ATOM 847 N ARG A 54 22.576 16.132 14.353 1.00 0.00 N ATOM 848 CA ARG A 54 21.378 15.942 15.146 1.00 0.00 C ATOM 849 C ARG A 54 20.785 17.352 15.232 1.00 0.00 C ATOM 850 O ARG A 54 21.546 18.309 15.383 1.00 0.00 O ATOM 851 CB ARG A 54 21.686 15.604 16.601 1.00 0.00 C ATOM 852 CG ARG A 54 22.323 14.228 16.835 1.00 0.00 C ATOM 853 CD ARG A 54 21.552 12.947 16.524 1.00 0.00 C ATOM 854 NE ARG A 54 21.350 12.694 15.091 1.00 0.00 N ATOM 855 CZ ARG A 54 22.344 12.441 14.239 1.00 0.00 C ATOM 856 NH1 ARG A 54 23.609 12.376 14.684 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.049 12.187 12.956 1.00 0.00 N ATOM 0 H ARG A 54 23.367 16.401 14.938 1.00 0.00 H new ATOM 0 HA ARG A 54 20.768 15.153 14.706 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.354 16.367 17.000 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.760 15.659 17.173 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.243 14.198 16.252 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.610 14.182 17.886 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.086 12.102 16.958 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.579 12.995 17.013 1.00 0.00 H new ATOM 0 HE ARG A 54 20.397 12.713 14.728 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.810 12.520 15.674 1.00 0.00 H new ATOM 0 HH12 ARG A 54 24.370 12.182 14.032 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.077 12.189 12.646 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.796 11.991 12.290 1.00 0.00 H new ATOM 871 N THR A 55 19.469 17.514 15.178 1.00 0.00 N ATOM 872 CA THR A 55 18.847 18.824 15.216 1.00 0.00 C ATOM 873 C THR A 55 18.599 19.336 16.636 1.00 0.00 C ATOM 874 O THR A 55 18.750 18.545 17.562 1.00 0.00 O ATOM 875 CB THR A 55 17.461 18.799 14.558 1.00 0.00 C ATOM 876 OG1 THR A 55 16.598 17.901 15.208 1.00 0.00 O ATOM 877 CG2 THR A 55 17.500 18.331 13.100 1.00 0.00 C ATOM 0 H THR A 55 18.807 16.741 15.107 1.00 0.00 H new ATOM 0 HA THR A 55 19.551 19.471 14.693 1.00 0.00 H new ATOM 0 HB THR A 55 17.112 19.829 14.625 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.781 16.989 14.899 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.490 18.335 12.690 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.130 19.004 12.519 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.907 17.321 13.053 1.00 0.00 H new ATOM 885 N LEU A 56 18.334 20.599 16.951 1.00 0.00 N ATOM 886 CA LEU A 56 17.780 21.128 18.172 1.00 0.00 C ATOM 887 C LEU A 56 16.636 20.320 18.786 1.00 0.00 C ATOM 888 O LEU A 56 16.680 19.972 19.966 1.00 0.00 O ATOM 889 CB LEU A 56 17.341 22.594 18.130 1.00 0.00 C ATOM 890 CG LEU A 56 18.504 23.552 18.360 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.625 23.535 17.318 1.00 0.00 C ATOM 892 CD2 LEU A 56 18.027 24.990 18.582 1.00 0.00 C ATOM 0 H LEU A 56 18.525 21.346 16.283 1.00 0.00 H new ATOM 0 HA LEU A 56 18.659 21.044 18.811 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.884 22.807 17.164 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.577 22.764 18.889 1.00 0.00 H new ATOM 0 HG LEU A 56 18.957 23.156 19.269 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.391 24.260 17.595 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.066 22.539 17.275 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.217 23.794 16.341 1.00 0.00 H new ATOM 0 HD21 LEU A 56 18.888 25.638 18.742 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.475 25.330 17.706 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.378 25.027 19.457 1.00 0.00 H new ATOM 904 N SER A 57 15.636 20.061 17.946 1.00 0.00 N ATOM 905 CA SER A 57 14.569 19.128 18.219 1.00 0.00 C ATOM 906 C SER A 57 15.020 17.735 18.654 1.00 0.00 C ATOM 907 O SER A 57 14.357 17.256 19.580 1.00 0.00 O ATOM 908 CB SER A 57 13.533 19.104 17.087 1.00 0.00 C ATOM 909 OG SER A 57 12.316 18.434 17.317 1.00 0.00 O ATOM 0 H SER A 57 15.552 20.512 17.035 1.00 0.00 H new ATOM 0 HA SER A 57 14.072 19.517 19.107 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.301 20.136 16.825 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.003 18.651 16.214 1.00 0.00 H new ATOM 0 HG SER A 57 11.752 18.498 16.518 1.00 0.00 H new ATOM 915 N ASP A 58 16.090 17.149 18.127 1.00 0.00 N ATOM 916 CA ASP A 58 16.553 15.847 18.541 1.00 0.00 C ATOM 917 C ASP A 58 17.128 15.708 19.961 1.00 0.00 C ATOM 918 O ASP A 58 17.027 14.674 20.600 1.00 0.00 O ATOM 919 CB ASP A 58 17.671 15.283 17.653 1.00 0.00 C ATOM 920 CG ASP A 58 17.134 14.858 16.291 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.326 13.908 16.253 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.528 15.509 15.301 1.00 0.00 O ATOM 0 H ASP A 58 16.659 17.575 17.395 1.00 0.00 H new ATOM 0 HA ASP A 58 15.608 15.309 18.471 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.448 16.036 17.521 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.135 14.429 18.146 1.00 0.00 H new ATOM 927 N TYR A 59 17.490 16.865 20.506 1.00 0.00 N ATOM 928 CA TYR A 59 17.691 17.101 21.929 1.00 0.00 C ATOM 929 C TYR A 59 16.463 17.729 22.593 1.00 0.00 C ATOM 930 O TYR A 59 16.530 17.789 23.816 1.00 0.00 O ATOM 931 CB TYR A 59 18.955 17.943 22.014 1.00 0.00 C ATOM 932 CG TYR A 59 20.224 17.209 21.654 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.672 16.095 22.375 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.758 17.469 20.377 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.789 15.349 21.997 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.884 16.728 19.989 1.00 0.00 C ATOM 937 CZ TYR A 59 22.364 15.668 20.757 1.00 0.00 C ATOM 938 OH TYR A 59 23.450 14.934 20.378 1.00 0.00 O ATOM 0 H TYR A 59 17.658 17.699 19.943 1.00 0.00 H new ATOM 0 HA TYR A 59 17.817 16.176 22.491 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.848 18.803 21.353 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.050 18.331 23.028 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.130 15.801 23.261 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.319 18.208 19.724 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.190 14.567 22.625 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.392 16.985 19.072 1.00 0.00 H new ATOM 0 HH TYR A 59 23.153 14.073 20.016 1.00 0.00 H new ATOM 948 N ASN A 60 15.432 18.268 21.957 1.00 0.00 N ATOM 949 CA ASN A 60 14.294 18.935 22.548 1.00 0.00 C ATOM 950 C ASN A 60 14.637 20.315 23.123 1.00 0.00 C ATOM 951 O ASN A 60 14.248 20.704 24.223 1.00 0.00 O ATOM 952 CB ASN A 60 13.536 17.971 23.468 1.00 0.00 C ATOM 953 CG ASN A 60 12.155 18.447 23.867 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.306 18.676 23.003 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.788 18.608 25.138 1.00 0.00 N ATOM 0 H ASN A 60 15.371 18.245 20.939 1.00 0.00 H new ATOM 0 HA ASN A 60 13.581 19.198 21.767 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.445 17.007 22.968 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.126 17.808 24.370 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.839 18.909 25.361 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.456 18.430 25.888 1.00 0.00 H new ATOM 962 N ILE A 61 15.589 21.045 22.552 1.00 0.00 N ATOM 963 CA ILE A 61 16.166 22.318 22.922 1.00 0.00 C ATOM 964 C ILE A 61 15.150 23.433 22.694 1.00 0.00 C ATOM 965 O ILE A 61 14.725 23.656 21.561 1.00 0.00 O ATOM 966 CB ILE A 61 17.530 22.552 22.277 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.587 21.549 22.741 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.048 23.968 22.549 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.871 21.412 21.921 1.00 0.00 C ATOM 0 H ILE A 61 16.030 20.701 21.699 1.00 0.00 H new ATOM 0 HA ILE A 61 16.387 22.313 23.989 1.00 0.00 H new ATOM 0 HB ILE A 61 17.369 22.416 21.208 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.871 21.813 23.760 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.116 20.567 22.786 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.021 24.097 22.074 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.346 24.696 22.143 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.146 24.119 23.624 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.517 20.663 22.379 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.623 21.105 20.905 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.389 22.370 21.894 1.00 0.00 H new ATOM 981 N GLN A 62 14.674 24.065 23.765 1.00 0.00 N ATOM 982 CA GLN A 62 13.509 24.927 23.779 1.00 0.00 C ATOM 983 C GLN A 62 13.920 26.388 23.587 1.00 0.00 C ATOM 984 O GLN A 62 15.064 26.772 23.810 1.00 0.00 O ATOM 985 CB GLN A 62 12.961 24.890 25.211 1.00 0.00 C ATOM 986 CG GLN A 62 12.531 23.513 25.714 1.00 0.00 C ATOM 987 CD GLN A 62 11.777 23.491 27.036 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.137 22.510 27.392 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.775 24.578 27.801 1.00 0.00 N ATOM 0 H GLN A 62 15.113 23.982 24.682 1.00 0.00 H new ATOM 0 HA GLN A 62 12.815 24.601 23.004 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.724 25.282 25.884 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.106 25.563 25.272 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.903 23.050 24.953 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.420 22.891 25.815 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.304 25.403 27.517 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.245 24.587 28.672 1.00 0.00 H new ATOM 998 N LYS A 63 12.945 27.222 23.226 1.00 0.00 N ATOM 999 CA LYS A 63 13.012 28.668 23.363 1.00 0.00 C ATOM 1000 C LYS A 63 13.605 29.219 24.658 1.00 0.00 C ATOM 1001 O LYS A 63 13.051 29.125 25.752 1.00 0.00 O ATOM 1002 CB LYS A 63 11.652 29.203 22.931 1.00 0.00 C ATOM 1003 CG LYS A 63 10.476 28.884 23.858 1.00 0.00 C ATOM 1004 CD LYS A 63 9.139 29.630 23.731 1.00 0.00 C ATOM 1005 CE LYS A 63 8.295 29.830 24.979 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.003 30.495 24.768 1.00 0.00 N ATOM 0 H LYS A 63 12.067 26.898 22.821 1.00 0.00 H new ATOM 0 HA LYS A 63 13.784 29.064 22.703 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.726 30.286 22.831 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.426 28.806 21.941 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.260 27.822 23.744 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.827 29.031 24.880 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.348 30.614 23.312 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.530 29.096 23.002 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.113 28.856 25.433 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.871 30.414 25.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.506 30.584 25.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.161 31.441 24.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.426 29.932 24.111 1.00 0.00 H new ATOM 1020 N GLU A 64 14.739 29.897 24.502 1.00 0.00 N ATOM 1021 CA GLU A 64 15.352 30.666 25.557 1.00 0.00 C ATOM 1022 C GLU A 64 16.287 29.828 26.436 1.00 0.00 C ATOM 1023 O GLU A 64 16.367 30.122 27.623 1.00 0.00 O ATOM 1024 CB GLU A 64 14.383 31.705 26.129 1.00 0.00 C ATOM 1025 CG GLU A 64 15.002 33.089 26.311 1.00 0.00 C ATOM 1026 CD GLU A 64 13.946 34.194 26.336 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.241 34.462 25.335 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.874 34.893 27.362 1.00 0.00 O ATOM 0 H GLU A 64 15.257 29.922 23.624 1.00 0.00 H new ATOM 0 HA GLU A 64 16.116 31.351 25.189 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.521 31.787 25.468 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.014 31.353 27.092 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.571 33.111 27.240 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.706 33.280 25.501 1.00 0.00 H new ATOM 1035 N SER A 65 16.914 28.798 25.873 1.00 0.00 N ATOM 1036 CA SER A 65 17.933 28.045 26.569 1.00 0.00 C ATOM 1037 C SER A 65 19.367 28.559 26.396 1.00 0.00 C ATOM 1038 O SER A 65 19.710 28.979 25.290 1.00 0.00 O ATOM 1039 CB SER A 65 17.903 26.700 25.840 1.00 0.00 C ATOM 1040 OG SER A 65 16.678 26.009 25.980 1.00 0.00 O ATOM 0 H SER A 65 16.725 28.470 24.926 1.00 0.00 H new ATOM 0 HA SER A 65 17.722 28.068 27.638 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.098 26.866 24.781 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.710 26.073 26.219 1.00 0.00 H new ATOM 0 HG SER A 65 16.081 26.248 25.241 1.00 0.00 H new ATOM 1046 N THR A 66 20.111 28.685 27.487 1.00 0.00 N ATOM 1047 CA THR A 66 21.536 28.945 27.557 1.00 0.00 C ATOM 1048 C THR A 66 22.373 27.672 27.382 1.00 0.00 C ATOM 1049 O THR A 66 22.110 26.653 28.018 1.00 0.00 O ATOM 1050 CB THR A 66 21.854 29.533 28.935 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.119 30.731 29.078 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.291 30.014 29.121 1.00 0.00 C ATOM 0 H THR A 66 19.698 28.601 28.416 1.00 0.00 H new ATOM 0 HA THR A 66 21.787 29.631 26.748 1.00 0.00 H new ATOM 0 HB THR A 66 21.633 28.727 29.635 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.305 31.126 29.955 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.414 30.412 30.128 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.976 29.179 28.975 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.510 30.795 28.393 1.00 0.00 H new ATOM 1060 N LEU A 67 23.282 27.781 26.405 1.00 0.00 N ATOM 1061 CA LEU A 67 24.333 26.838 26.056 1.00 0.00 C ATOM 1062 C LEU A 67 25.611 27.627 26.327 1.00 0.00 C ATOM 1063 O LEU A 67 25.923 28.622 25.671 1.00 0.00 O ATOM 1064 CB LEU A 67 24.217 26.529 24.558 1.00 0.00 C ATOM 1065 CG LEU A 67 23.022 25.688 24.109 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.928 26.645 23.648 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.337 24.667 23.024 1.00 0.00 C ATOM 0 H LEU A 67 23.296 28.598 25.795 1.00 0.00 H new ATOM 0 HA LEU A 67 24.295 25.896 26.603 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.185 27.476 24.019 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.127 26.016 24.247 1.00 0.00 H new ATOM 0 HG LEU A 67 22.702 25.089 24.961 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.059 26.074 23.320 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.643 27.297 24.474 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.298 27.249 22.820 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.431 24.117 22.768 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.712 25.181 22.139 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.094 23.972 23.387 1.00 0.00 H new ATOM 1079 N HIS A 68 26.475 27.059 27.167 1.00 0.00 N ATOM 1080 CA HIS A 68 27.865 27.337 27.457 1.00 0.00 C ATOM 1081 C HIS A 68 28.814 26.664 26.456 1.00 0.00 C ATOM 1082 O HIS A 68 28.809 25.451 26.264 1.00 0.00 O ATOM 1083 CB HIS A 68 28.118 26.632 28.793 1.00 0.00 C ATOM 1084 CG HIS A 68 29.360 27.128 29.484 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.690 28.479 29.497 1.00 0.00 N ATOM 1086 CD2 HIS A 68 30.192 26.432 30.329 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.766 28.555 30.296 1.00 0.00 C ATOM 1088 NE2 HIS A 68 31.137 27.342 30.736 1.00 0.00 N ATOM 0 H HIS A 68 26.157 26.277 27.740 1.00 0.00 H new ATOM 0 HA HIS A 68 28.040 28.413 27.438 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.259 26.782 29.447 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.206 25.559 28.622 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.118 25.392 30.612 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.270 29.475 30.552 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.975 27.133 31.278 1.00 0.00 H new ATOM 1096 N LEU A 69 29.637 27.393 25.720 1.00 0.00 N ATOM 1097 CA LEU A 69 30.684 26.978 24.808 1.00 0.00 C ATOM 1098 C LEU A 69 32.012 26.969 25.571 1.00 0.00 C ATOM 1099 O LEU A 69 32.439 28.001 26.097 1.00 0.00 O ATOM 1100 CB LEU A 69 30.675 27.977 23.640 1.00 0.00 C ATOM 1101 CG LEU A 69 31.573 27.657 22.446 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.163 28.432 21.194 1.00 0.00 C ATOM 1103 CD2 LEU A 69 33.057 27.984 22.623 1.00 0.00 C ATOM 0 H LEU A 69 29.577 28.411 25.754 1.00 0.00 H new ATOM 0 HA LEU A 69 30.534 25.974 24.411 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.650 28.066 23.279 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.963 28.954 24.028 1.00 0.00 H new ATOM 0 HG LEU A 69 31.441 26.579 22.356 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.829 28.173 20.371 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.138 28.175 20.926 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.229 29.502 21.391 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.599 27.717 21.716 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.174 29.051 22.815 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.456 27.418 23.465 1.00 0.00 H new ATOM 1115 N VAL A 70 32.821 25.915 25.518 1.00 0.00 N ATOM 1116 CA VAL A 70 34.174 25.849 26.029 1.00 0.00 C ATOM 1117 C VAL A 70 35.215 25.447 24.988 1.00 0.00 C ATOM 1118 O VAL A 70 34.800 24.951 23.948 1.00 0.00 O ATOM 1119 CB VAL A 70 34.366 25.022 27.297 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.588 25.563 28.500 1.00 0.00 C ATOM 1121 CG2 VAL A 70 34.171 23.514 27.066 1.00 0.00 C ATOM 0 H VAL A 70 32.527 25.037 25.091 1.00 0.00 H new ATOM 0 HA VAL A 70 34.347 26.888 26.308 1.00 0.00 H new ATOM 0 HB VAL A 70 35.415 25.140 27.567 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.770 24.928 29.367 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.917 26.579 28.719 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.522 25.568 28.272 1.00 0.00 H new ATOM 0 HG21 VAL A 70 34.321 22.980 28.004 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.161 23.330 26.701 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.893 23.162 26.329 1.00 0.00 H new ATOM 1131 N LEU A 71 36.463 25.873 25.172 1.00 0.00 N ATOM 1132 CA LEU A 71 37.535 25.959 24.193 1.00 0.00 C ATOM 1133 C LEU A 71 38.662 25.431 25.062 1.00 0.00 C ATOM 1134 O LEU A 71 39.242 26.199 25.824 1.00 0.00 O ATOM 1135 CB LEU A 71 37.643 27.338 23.521 1.00 0.00 C ATOM 1136 CG LEU A 71 37.435 27.396 22.016 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.453 28.854 21.559 1.00 0.00 C ATOM 1138 CD2 LEU A 71 38.591 26.694 21.300 1.00 0.00 C ATOM 0 H LEU A 71 36.772 26.193 26.090 1.00 0.00 H new ATOM 0 HA LEU A 71 37.448 25.396 23.264 1.00 0.00 H new ATOM 0 HB2 LEU A 71 36.914 28.000 23.989 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.630 27.745 23.742 1.00 0.00 H new ATOM 0 HG LEU A 71 36.485 26.915 21.782 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.304 28.899 20.480 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.654 29.402 22.059 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.414 29.303 21.812 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.433 26.740 20.222 1.00 0.00 H new ATOM 0 HD22 LEU A 71 39.529 27.189 21.551 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.635 25.652 21.616 1.00 0.00 H new ATOM 1150 N ARG A 72 39.046 24.155 25.066 1.00 0.00 N ATOM 1151 CA ARG A 72 40.236 23.572 25.656 1.00 0.00 C ATOM 1152 C ARG A 72 40.206 23.478 27.188 1.00 0.00 C ATOM 1153 O ARG A 72 41.297 23.259 27.713 1.00 0.00 O ATOM 1154 CB ARG A 72 41.453 24.332 25.132 1.00 0.00 C ATOM 1155 CG ARG A 72 42.627 23.408 24.809 1.00 0.00 C ATOM 1156 CD ARG A 72 43.765 24.161 24.110 1.00 0.00 C ATOM 1157 NE ARG A 72 43.538 23.979 22.672 1.00 0.00 N ATOM 1158 CZ ARG A 72 44.475 24.016 21.721 1.00 0.00 C ATOM 1159 NH1 ARG A 72 45.730 24.312 22.086 1.00 0.00 N ATOM 1160 NH2 ARG A 72 44.052 23.769 20.472 1.00 0.00 N ATOM 0 H ARG A 72 38.474 23.443 24.612 1.00 0.00 H new ATOM 0 HA ARG A 72 40.290 22.528 25.347 1.00 0.00 H new ATOM 0 HB2 ARG A 72 41.173 24.885 24.235 1.00 0.00 H new ATOM 0 HB3 ARG A 72 41.766 25.066 25.875 1.00 0.00 H new ATOM 0 HG2 ARG A 72 43.000 22.958 25.729 1.00 0.00 H new ATOM 0 HG3 ARG A 72 42.284 22.593 24.171 1.00 0.00 H new ATOM 0 HD2 ARG A 72 43.757 25.218 24.377 1.00 0.00 H new ATOM 0 HD3 ARG A 72 44.736 23.765 24.406 1.00 0.00 H new ATOM 0 HE ARG A 72 42.578 23.809 22.372 1.00 0.00 H new ATOM 0 HH11 ARG A 72 45.945 24.501 23.065 1.00 0.00 H new ATOM 0 HH12 ARG A 72 46.470 24.349 21.385 1.00 0.00 H new ATOM 0 HH21 ARG A 72 43.067 23.569 20.297 1.00 0.00 H new ATOM 0 HH22 ARG A 72 44.715 23.781 19.697 1.00 0.00 H new ATOM 1174 N LEU A 73 39.119 23.677 27.911 1.00 0.00 N ATOM 1175 CA LEU A 73 38.939 23.547 29.343 1.00 0.00 C ATOM 1176 C LEU A 73 38.036 22.318 29.490 1.00 0.00 C ATOM 1177 O LEU A 73 36.977 22.295 28.865 1.00 0.00 O ATOM 1178 CB LEU A 73 38.322 24.738 30.070 1.00 0.00 C ATOM 1179 CG LEU A 73 39.355 25.650 30.729 1.00 0.00 C ATOM 1180 CD1 LEU A 73 39.963 26.403 29.546 1.00 0.00 C ATOM 1181 CD2 LEU A 73 38.834 26.593 31.813 1.00 0.00 C ATOM 0 H LEU A 73 38.250 23.964 27.460 1.00 0.00 H new ATOM 0 HA LEU A 73 39.920 23.470 29.812 1.00 0.00 H new ATOM 0 HB2 LEU A 73 37.733 25.321 29.362 1.00 0.00 H new ATOM 0 HB3 LEU A 73 37.633 24.372 30.832 1.00 0.00 H new ATOM 0 HG LEU A 73 40.070 25.059 31.301 1.00 0.00 H new ATOM 0 HD11 LEU A 73 40.725 27.093 29.907 1.00 0.00 H new ATOM 0 HD12 LEU A 73 40.416 25.691 28.856 1.00 0.00 H new ATOM 0 HD13 LEU A 73 39.182 26.962 29.030 1.00 0.00 H new ATOM 0 HD21 LEU A 73 39.659 27.188 32.205 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.079 27.255 31.388 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.392 26.010 32.621 1.00 0.00 H new ATOM 1193 N ARG A 74 38.287 21.454 30.466 1.00 0.00 N ATOM 1194 CA ARG A 74 37.306 20.442 30.821 1.00 0.00 C ATOM 1195 C ARG A 74 36.392 20.920 31.953 1.00 0.00 C ATOM 1196 O ARG A 74 36.668 21.736 32.819 1.00 0.00 O ATOM 1197 CB ARG A 74 38.167 19.264 31.254 1.00 0.00 C ATOM 1198 CG ARG A 74 38.704 18.431 30.090 1.00 0.00 C ATOM 1199 CD ARG A 74 39.613 17.246 30.409 1.00 0.00 C ATOM 1200 NE ARG A 74 38.980 16.420 31.431 1.00 0.00 N ATOM 1201 CZ ARG A 74 39.218 15.161 31.831 1.00 0.00 C ATOM 1202 NH1 ARG A 74 40.218 14.426 31.327 1.00 0.00 N ATOM 1203 NH2 ARG A 74 38.351 14.627 32.712 1.00 0.00 N ATOM 0 H ARG A 74 39.146 21.434 31.016 1.00 0.00 H new ATOM 0 HA ARG A 74 36.630 20.196 30.002 1.00 0.00 H new ATOM 0 HB2 ARG A 74 39.007 19.636 31.840 1.00 0.00 H new ATOM 0 HB3 ARG A 74 37.581 18.620 31.910 1.00 0.00 H new ATOM 0 HG2 ARG A 74 37.849 18.053 29.529 1.00 0.00 H new ATOM 0 HG3 ARG A 74 39.251 19.101 29.426 1.00 0.00 H new ATOM 0 HD2 ARG A 74 39.794 16.658 29.509 1.00 0.00 H new ATOM 0 HD3 ARG A 74 40.583 17.600 30.759 1.00 0.00 H new ATOM 0 HE ARG A 74 38.220 16.882 31.931 1.00 0.00 H new ATOM 0 HH11 ARG A 74 40.831 14.820 30.613 1.00 0.00 H new ATOM 0 HH12 ARG A 74 40.367 13.472 31.657 1.00 0.00 H new ATOM 0 HH21 ARG A 74 37.558 15.176 33.044 1.00 0.00 H new ATOM 0 HH22 ARG A 74 38.487 13.673 33.047 1.00 0.00 H new ATOM 1217 N GLY A 75 35.277 20.208 32.088 1.00 0.00 N ATOM 1218 CA GLY A 75 34.273 20.452 33.108 1.00 0.00 C ATOM 1219 C GLY A 75 34.204 19.210 34.009 1.00 0.00 C ATOM 1220 O GLY A 75 33.158 18.596 34.174 1.00 0.00 O ATOM 0 H GLY A 75 35.045 19.427 31.474 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.531 21.334 33.694 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.303 20.646 32.650 1.00 0.00 H new ATOM 1224 N GLY A 76 35.352 18.749 34.476 1.00 0.00 N ATOM 1225 CA GLY A 76 35.603 17.563 35.291 1.00 0.00 C ATOM 1226 C GLY A 76 36.694 16.786 34.590 1.00 0.00 C ATOM 1227 O GLY A 76 36.494 16.350 33.436 1.00 0.00 O ATOM 1228 OXT GLY A 76 37.765 16.562 35.207 1.00 0.00 O ATOM 0 H GLY A 76 36.222 19.243 34.276 1.00 0.00 H new ATOM 0 HA2 GLY A 76 35.911 17.842 36.298 1.00 0.00 H new ATOM 0 HA3 GLY A 76 34.700 16.961 35.389 1.00 0.00 H new TER 1232 GLY A 76