USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= -6.48! C(o=-13!,f=-17!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 145:sc= -6.05! (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 124:sc= 0.246 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.231 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -166:sc= -0.235 (180deg=-0.556) USER MOD Set 3.2: A 12 THR OG1 : rot 170:sc= -0.124 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.126 (180deg=-0.297) USER MOD Single : A 2 GLN : amide:sc= -0.0532 K(o=-0.053,f=-1) USER MOD Single : A 11 LYS NZ :NH3+ 167:sc= 1.05 (180deg=0.312) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= -2.46! (180deg=-3.07!) USER MOD Single : A 31 GLN : amide:sc= -2.82! C(o=-2.8!,f=-4.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 41 GLN : amide:sc= -3.3 K(o=-3.3,f=-2.5) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0313 (180deg=-0.496) USER MOD Single : A 49 GLN : amide:sc= -1.29 X(o=-1.3,f=-1.6) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0711 USER MOD Single : A 60 ASN : amide:sc= -0.847 K(o=-0.85,f=-4.1!) USER MOD Single : A 68 HIS : no HD1:sc= -0.11 K(o=-0.11,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.085 28.239 3.151 1.00 0.00 N ATOM 2 CA MET A 1 28.106 29.267 2.699 1.00 0.00 C ATOM 3 C MET A 1 28.115 30.442 3.679 1.00 0.00 C ATOM 4 O MET A 1 28.997 30.568 4.506 1.00 0.00 O ATOM 5 CB MET A 1 26.705 28.653 2.655 1.00 0.00 C ATOM 6 CG MET A 1 26.699 27.470 1.684 1.00 0.00 C ATOM 7 SD MET A 1 25.060 26.701 1.683 1.00 0.00 S ATOM 8 CE MET A 1 25.470 25.295 0.622 1.00 0.00 C ATOM 0 H1 MET A 1 29.219 27.533 2.399 1.00 0.00 H new ATOM 0 H2 MET A 1 29.995 28.696 3.363 1.00 0.00 H new ATOM 0 H3 MET A 1 28.726 27.770 4.007 1.00 0.00 H new ATOM 0 HA MET A 1 28.380 29.618 1.704 1.00 0.00 H new ATOM 0 HB2 MET A 1 26.410 28.322 3.651 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.978 29.401 2.339 1.00 0.00 H new ATOM 0 HG2 MET A 1 26.955 27.808 0.680 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.455 26.741 1.977 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.585 24.673 0.484 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.813 25.658 -0.347 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.259 24.705 1.088 1.00 0.00 H new ATOM 20 N GLN A 2 27.141 31.307 3.593 1.00 0.00 N ATOM 21 CA GLN A 2 27.095 32.473 4.519 1.00 0.00 C ATOM 22 C GLN A 2 26.541 32.025 5.873 1.00 0.00 C ATOM 23 O GLN A 2 25.387 32.246 6.184 1.00 0.00 O ATOM 24 CB GLN A 2 26.187 33.555 3.932 1.00 0.00 C ATOM 25 CG GLN A 2 26.254 34.808 4.805 1.00 0.00 C ATOM 26 CD GLN A 2 25.432 35.927 4.161 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.474 35.666 3.461 1.00 0.00 O ATOM 28 NE2 GLN A 2 25.770 37.170 4.368 1.00 0.00 N ATOM 0 H GLN A 2 26.375 31.256 2.921 1.00 0.00 H new ATOM 0 HA GLN A 2 28.100 32.873 4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.497 33.791 2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 2 25.161 33.192 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 2 25.871 34.590 5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.290 35.126 4.924 1.00 0.00 H new ATOM 0 HE21 GLN A 2 26.574 37.389 4.956 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.230 37.923 3.942 1.00 0.00 H new ATOM 37 N ILE A 3 27.351 31.395 6.681 1.00 0.00 N ATOM 38 CA ILE A 3 26.854 30.936 8.009 1.00 0.00 C ATOM 39 C ILE A 3 26.692 32.143 8.938 1.00 0.00 C ATOM 40 O ILE A 3 27.482 33.064 8.915 1.00 0.00 O ATOM 41 CB ILE A 3 27.846 29.940 8.619 1.00 0.00 C ATOM 42 CG1 ILE A 3 29.249 30.550 8.641 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.866 28.662 7.778 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.197 29.625 9.408 1.00 0.00 C ATOM 0 H ILE A 3 28.328 31.180 6.481 1.00 0.00 H new ATOM 0 HA ILE A 3 25.889 30.444 7.884 1.00 0.00 H new ATOM 0 HB ILE A 3 27.537 29.707 9.638 1.00 0.00 H new ATOM 0 HG12 ILE A 3 29.610 30.695 7.623 1.00 0.00 H new ATOM 0 HG13 ILE A 3 29.222 31.532 9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.571 27.953 8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.870 28.220 7.764 1.00 0.00 H new ATOM 0 HG23 ILE A 3 28.171 28.901 6.759 1.00 0.00 H new ATOM 0 HD11 ILE A 3 31.196 30.060 9.423 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.839 29.503 10.430 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.232 28.652 8.917 1.00 0.00 H new ATOM 56 N PHE A 4 25.665 32.141 9.751 1.00 0.00 N ATOM 57 CA PHE A 4 25.430 33.285 10.692 1.00 0.00 C ATOM 58 C PHE A 4 25.714 32.823 12.121 1.00 0.00 C ATOM 59 O PHE A 4 25.301 31.754 12.524 1.00 0.00 O ATOM 60 CB PHE A 4 23.968 33.727 10.589 1.00 0.00 C ATOM 61 CG PHE A 4 23.730 34.380 9.246 1.00 0.00 C ATOM 62 CD1 PHE A 4 23.568 33.587 8.103 1.00 0.00 C ATOM 63 CD2 PHE A 4 23.671 35.775 9.143 1.00 0.00 C ATOM 64 CE1 PHE A 4 23.347 34.189 6.859 1.00 0.00 C ATOM 65 CE2 PHE A 4 23.449 36.377 7.900 1.00 0.00 C ATOM 66 CZ PHE A 4 23.288 35.584 6.757 1.00 0.00 C ATOM 0 H PHE A 4 24.974 31.393 9.805 1.00 0.00 H new ATOM 0 HA PHE A 4 26.086 34.117 10.435 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.308 32.868 10.709 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.731 34.425 11.392 1.00 0.00 H new ATOM 0 HD1 PHE A 4 23.614 32.511 8.182 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.797 36.387 10.024 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.222 33.577 5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 4 23.402 37.453 7.822 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.118 36.049 5.797 1.00 0.00 H new ATOM 76 N VAL A 5 26.416 33.615 12.896 1.00 0.00 N ATOM 77 CA VAL A 5 26.729 33.224 14.304 1.00 0.00 C ATOM 78 C VAL A 5 26.489 34.435 15.211 1.00 0.00 C ATOM 79 O VAL A 5 26.882 35.539 14.891 1.00 0.00 O ATOM 80 CB VAL A 5 28.200 32.808 14.393 1.00 0.00 C ATOM 81 CG1 VAL A 5 28.509 32.299 15.803 1.00 0.00 C ATOM 82 CG2 VAL A 5 28.478 31.698 13.373 1.00 0.00 C ATOM 0 H VAL A 5 26.787 34.521 12.610 1.00 0.00 H new ATOM 0 HA VAL A 5 26.096 32.393 14.615 1.00 0.00 H new ATOM 0 HB VAL A 5 28.833 33.669 14.176 1.00 0.00 H new ATOM 0 HG11 VAL A 5 29.557 32.004 15.862 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.314 33.091 16.527 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.877 31.439 16.026 1.00 0.00 H new ATOM 0 HG21 VAL A 5 29.525 31.401 13.435 1.00 0.00 H new ATOM 0 HG22 VAL A 5 27.843 30.838 13.589 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.264 32.064 12.369 1.00 0.00 H new ATOM 92 N LYS A 6 25.839 34.237 16.334 1.00 0.00 N ATOM 93 CA LYS A 6 25.557 35.380 17.268 1.00 0.00 C ATOM 94 C LYS A 6 26.208 35.114 18.628 1.00 0.00 C ATOM 95 O LYS A 6 26.322 33.986 19.065 1.00 0.00 O ATOM 96 CB LYS A 6 24.045 35.517 17.453 1.00 0.00 C ATOM 97 CG LYS A 6 23.420 36.048 16.161 1.00 0.00 C ATOM 98 CD LYS A 6 21.906 36.177 16.340 1.00 0.00 C ATOM 99 CE LYS A 6 21.281 36.693 15.043 1.00 0.00 C ATOM 100 NZ LYS A 6 21.816 38.050 14.739 1.00 0.00 N ATOM 0 H LYS A 6 25.490 33.331 16.647 1.00 0.00 H new ATOM 0 HA LYS A 6 25.966 36.298 16.846 1.00 0.00 H new ATOM 0 HB2 LYS A 6 23.610 34.551 17.710 1.00 0.00 H new ATOM 0 HB3 LYS A 6 23.829 36.194 18.279 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.851 37.017 15.908 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.643 35.374 15.333 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.477 35.210 16.604 1.00 0.00 H new ATOM 0 HD3 LYS A 6 21.683 36.859 17.160 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.504 36.011 14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.196 36.732 15.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 21.230 38.498 14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.796 38.632 15.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.795 37.969 14.398 1.00 0.00 H new ATOM 114 N THR A 7 26.631 36.158 19.299 1.00 0.00 N ATOM 115 CA THR A 7 27.276 35.999 20.642 1.00 0.00 C ATOM 116 C THR A 7 26.307 36.476 21.726 1.00 0.00 C ATOM 117 O THR A 7 25.179 36.835 21.452 1.00 0.00 O ATOM 118 CB THR A 7 28.549 36.849 20.693 1.00 0.00 C ATOM 119 OG1 THR A 7 28.201 38.225 20.632 1.00 0.00 O ATOM 120 CG2 THR A 7 29.450 36.495 19.509 1.00 0.00 C ATOM 0 H THR A 7 26.557 37.121 18.972 1.00 0.00 H new ATOM 0 HA THR A 7 27.526 34.951 20.809 1.00 0.00 H new ATOM 0 HB THR A 7 29.082 36.650 21.623 1.00 0.00 H new ATOM 0 HG1 THR A 7 28.572 38.691 21.410 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.355 37.101 19.547 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.717 35.439 19.558 1.00 0.00 H new ATOM 0 HG23 THR A 7 28.920 36.692 18.577 1.00 0.00 H new ATOM 128 N LEU A 8 26.736 36.480 22.960 1.00 0.00 N ATOM 129 CA LEU A 8 25.838 36.931 24.061 1.00 0.00 C ATOM 130 C LEU A 8 25.645 38.447 23.977 1.00 0.00 C ATOM 131 O LEU A 8 24.634 38.978 24.395 1.00 0.00 O ATOM 132 CB LEU A 8 26.466 36.570 25.412 1.00 0.00 C ATOM 133 CG LEU A 8 26.284 35.074 25.684 1.00 0.00 C ATOM 134 CD1 LEU A 8 26.876 34.261 24.526 1.00 0.00 C ATOM 135 CD2 LEU A 8 27.001 34.709 26.988 1.00 0.00 C ATOM 0 H LEU A 8 27.669 36.190 23.252 1.00 0.00 H new ATOM 0 HA LEU A 8 24.871 36.437 23.965 1.00 0.00 H new ATOM 0 HB2 LEU A 8 27.526 36.822 25.410 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.001 37.153 26.207 1.00 0.00 H new ATOM 0 HG LEU A 8 25.222 34.846 25.773 1.00 0.00 H new ATOM 0 HD11 LEU A 8 26.744 33.197 24.724 1.00 0.00 H new ATOM 0 HD12 LEU A 8 26.366 34.524 23.599 1.00 0.00 H new ATOM 0 HD13 LEU A 8 27.939 34.484 24.431 1.00 0.00 H new ATOM 0 HD21 LEU A 8 26.875 33.645 27.187 1.00 0.00 H new ATOM 0 HD22 LEU A 8 28.063 34.938 26.896 1.00 0.00 H new ATOM 0 HD23 LEU A 8 26.576 35.285 27.810 1.00 0.00 H new ATOM 147 N THR A 9 26.606 39.151 23.444 1.00 0.00 N ATOM 148 CA THR A 9 26.477 40.631 23.341 1.00 0.00 C ATOM 149 C THR A 9 25.581 40.987 22.154 1.00 0.00 C ATOM 150 O THR A 9 25.308 42.142 21.894 1.00 0.00 O ATOM 151 CB THR A 9 27.862 41.249 23.138 1.00 0.00 C ATOM 152 OG1 THR A 9 28.430 40.751 21.934 1.00 0.00 O ATOM 153 CG2 THR A 9 28.765 40.885 24.318 1.00 0.00 C ATOM 0 H THR A 9 27.475 38.764 23.075 1.00 0.00 H new ATOM 0 HA THR A 9 26.034 41.021 24.257 1.00 0.00 H new ATOM 0 HB THR A 9 27.769 42.333 23.076 1.00 0.00 H new ATOM 0 HG1 THR A 9 29.317 41.147 21.802 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.751 41.326 24.171 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.330 41.268 25.241 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.859 39.801 24.384 1.00 0.00 H new ATOM 161 N GLY A 10 25.123 40.004 21.428 1.00 0.00 N ATOM 162 CA GLY A 10 24.245 40.284 20.252 1.00 0.00 C ATOM 163 C GLY A 10 25.113 40.561 19.026 1.00 0.00 C ATOM 164 O GLY A 10 24.629 40.639 17.914 1.00 0.00 O ATOM 0 H GLY A 10 25.318 39.017 21.597 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.590 39.434 20.063 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.604 41.141 20.459 1.00 0.00 H new ATOM 168 N LYS A 11 26.395 40.708 19.218 1.00 0.00 N ATOM 169 CA LYS A 11 27.293 40.977 18.060 1.00 0.00 C ATOM 170 C LYS A 11 27.043 39.924 16.979 1.00 0.00 C ATOM 171 O LYS A 11 27.235 38.745 17.193 1.00 0.00 O ATOM 172 CB LYS A 11 28.752 40.905 18.519 1.00 0.00 C ATOM 173 CG LYS A 11 29.668 41.363 17.384 1.00 0.00 C ATOM 174 CD LYS A 11 31.122 41.330 17.854 1.00 0.00 C ATOM 175 CE LYS A 11 32.038 41.806 16.724 1.00 0.00 C ATOM 176 NZ LYS A 11 33.454 41.785 17.189 1.00 0.00 N ATOM 0 H LYS A 11 26.859 40.654 20.125 1.00 0.00 H new ATOM 0 HA LYS A 11 27.091 41.970 17.659 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.900 41.535 19.396 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.002 39.886 18.813 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.541 40.715 16.517 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.399 42.372 17.071 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.246 41.967 18.729 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.395 40.318 18.155 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.921 41.163 15.852 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.760 42.814 16.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.089 41.892 16.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.612 42.567 17.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.650 40.881 17.664 1.00 0.00 H new ATOM 190 N THR A 12 26.606 40.342 15.819 1.00 0.00 N ATOM 191 CA THR A 12 26.332 39.368 14.718 1.00 0.00 C ATOM 192 C THR A 12 27.528 39.310 13.766 1.00 0.00 C ATOM 193 O THR A 12 28.048 40.322 13.339 1.00 0.00 O ATOM 194 CB THR A 12 25.091 39.814 13.939 1.00 0.00 C ATOM 195 OG1 THR A 12 23.972 39.849 14.815 1.00 0.00 O ATOM 196 CG2 THR A 12 24.822 38.829 12.800 1.00 0.00 C ATOM 0 H THR A 12 26.426 41.319 15.585 1.00 0.00 H new ATOM 0 HA THR A 12 26.163 38.381 15.149 1.00 0.00 H new ATOM 0 HB THR A 12 25.258 40.808 13.524 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.218 40.285 14.365 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.939 39.146 12.246 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.681 38.804 12.130 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.654 37.834 13.212 1.00 0.00 H new ATOM 204 N ILE A 13 27.955 38.126 13.419 1.00 0.00 N ATOM 205 CA ILE A 13 29.106 37.973 12.480 1.00 0.00 C ATOM 206 C ILE A 13 28.838 36.774 11.571 1.00 0.00 C ATOM 207 O ILE A 13 28.334 35.761 12.012 1.00 0.00 O ATOM 208 CB ILE A 13 30.393 37.744 13.274 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.176 36.620 14.292 1.00 0.00 C ATOM 210 CG2 ILE A 13 30.774 39.029 14.011 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.476 36.366 15.058 1.00 0.00 C ATOM 0 H ILE A 13 27.552 37.249 13.749 1.00 0.00 H new ATOM 0 HA ILE A 13 29.220 38.876 11.880 1.00 0.00 H new ATOM 0 HB ILE A 13 31.194 37.465 12.590 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.380 36.892 14.985 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.858 35.710 13.783 1.00 0.00 H new ATOM 0 HG21 ILE A 13 31.691 38.866 14.577 1.00 0.00 H new ATOM 0 HG22 ILE A 13 30.931 39.830 13.289 1.00 0.00 H new ATOM 0 HG23 ILE A 13 29.972 39.309 14.694 1.00 0.00 H new ATOM 0 HD11 ILE A 13 31.321 35.566 15.782 1.00 0.00 H new ATOM 0 HD12 ILE A 13 32.260 36.075 14.358 1.00 0.00 H new ATOM 0 HD13 ILE A 13 31.774 37.275 15.580 1.00 0.00 H new ATOM 223 N THR A 14 29.162 36.879 10.305 1.00 0.00 N ATOM 224 CA THR A 14 28.921 35.744 9.359 1.00 0.00 C ATOM 225 C THR A 14 30.197 35.471 8.566 1.00 0.00 C ATOM 226 O THR A 14 30.940 36.378 8.242 1.00 0.00 O ATOM 227 CB THR A 14 27.796 36.125 8.393 1.00 0.00 C ATOM 228 OG1 THR A 14 28.332 36.905 7.333 1.00 0.00 O ATOM 229 CG2 THR A 14 26.736 36.937 9.138 1.00 0.00 C ATOM 0 H THR A 14 29.585 37.706 9.884 1.00 0.00 H new ATOM 0 HA THR A 14 28.639 34.852 9.918 1.00 0.00 H new ATOM 0 HB THR A 14 27.341 35.221 7.988 1.00 0.00 H new ATOM 0 HG1 THR A 14 27.615 37.149 6.712 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.935 37.208 8.450 1.00 0.00 H new ATOM 0 HG22 THR A 14 26.327 36.340 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 14 27.189 37.842 9.542 1.00 0.00 H new ATOM 237 N LEU A 15 30.459 34.224 8.253 1.00 0.00 N ATOM 238 CA LEU A 15 31.692 33.869 7.479 1.00 0.00 C ATOM 239 C LEU A 15 31.280 33.199 6.162 1.00 0.00 C ATOM 240 O LEU A 15 30.706 32.127 6.159 1.00 0.00 O ATOM 241 CB LEU A 15 32.542 32.877 8.296 1.00 0.00 C ATOM 242 CG LEU A 15 32.552 33.268 9.780 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.313 32.205 10.574 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.244 34.622 9.955 1.00 0.00 C ATOM 0 H LEU A 15 29.867 33.431 8.502 1.00 0.00 H new ATOM 0 HA LEU A 15 32.269 34.771 7.278 1.00 0.00 H new ATOM 0 HB2 LEU A 15 32.143 31.869 8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.562 32.861 7.912 1.00 0.00 H new ATOM 0 HG LEU A 15 31.527 33.339 10.143 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.324 32.477 11.629 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.822 31.240 10.453 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.337 32.140 10.206 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.248 34.895 11.010 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.270 34.556 9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.707 35.381 9.386 1.00 0.00 H new ATOM 256 N GLU A 16 31.556 33.815 5.041 1.00 0.00 N ATOM 257 CA GLU A 16 31.164 33.193 3.741 1.00 0.00 C ATOM 258 C GLU A 16 32.306 32.309 3.240 1.00 0.00 C ATOM 259 O GLU A 16 33.344 32.786 2.829 1.00 0.00 O ATOM 260 CB GLU A 16 30.890 34.295 2.716 1.00 0.00 C ATOM 261 CG GLU A 16 29.633 35.067 3.117 1.00 0.00 C ATOM 262 CD GLU A 16 29.464 36.281 2.203 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.398 36.590 1.482 1.00 0.00 O ATOM 264 OE2 GLU A 16 28.402 36.882 2.238 1.00 0.00 O ATOM 0 H GLU A 16 32.032 34.714 4.969 1.00 0.00 H new ATOM 0 HA GLU A 16 30.267 32.590 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.742 34.972 2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.761 33.860 1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 16 28.758 34.420 3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.707 35.389 4.156 1.00 0.00 H new ATOM 271 N VAL A 17 32.106 31.020 3.254 1.00 0.00 N ATOM 272 CA VAL A 17 33.157 30.088 2.762 1.00 0.00 C ATOM 273 C VAL A 17 32.532 28.717 2.525 1.00 0.00 C ATOM 274 O VAL A 17 31.517 28.386 3.105 1.00 0.00 O ATOM 275 CB VAL A 17 34.277 29.970 3.795 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.697 29.540 5.146 1.00 0.00 C ATOM 277 CG2 VAL A 17 35.291 28.924 3.321 1.00 0.00 C ATOM 0 H VAL A 17 31.253 30.570 3.588 1.00 0.00 H new ATOM 0 HA VAL A 17 33.576 30.471 1.831 1.00 0.00 H new ATOM 0 HB VAL A 17 34.768 30.937 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 17 34.501 29.458 5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.973 30.282 5.484 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.204 28.574 5.039 1.00 0.00 H new ATOM 0 HG21 VAL A 17 36.092 28.836 4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.794 27.960 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.709 29.231 2.362 1.00 0.00 H new ATOM 287 N GLU A 18 33.118 27.913 1.677 1.00 0.00 N ATOM 288 CA GLU A 18 32.541 26.561 1.411 1.00 0.00 C ATOM 289 C GLU A 18 32.169 25.893 2.748 1.00 0.00 C ATOM 290 O GLU A 18 32.789 26.155 3.760 1.00 0.00 O ATOM 291 CB GLU A 18 33.579 25.704 0.682 1.00 0.00 C ATOM 292 CG GLU A 18 33.704 26.178 -0.767 1.00 0.00 C ATOM 293 CD GLU A 18 34.785 25.362 -1.480 1.00 0.00 C ATOM 294 OE1 GLU A 18 35.382 24.516 -0.836 1.00 0.00 O ATOM 295 OE2 GLU A 18 34.996 25.599 -2.659 1.00 0.00 O ATOM 0 H GLU A 18 33.968 28.132 1.158 1.00 0.00 H new ATOM 0 HA GLU A 18 31.648 26.657 0.793 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.544 25.777 1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.284 24.655 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.750 26.065 -1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.957 27.238 -0.793 1.00 0.00 H new ATOM 302 N PRO A 19 31.162 25.051 2.763 1.00 0.00 N ATOM 303 CA PRO A 19 30.714 24.364 4.013 1.00 0.00 C ATOM 304 C PRO A 19 31.692 23.274 4.473 1.00 0.00 C ATOM 305 O PRO A 19 31.647 22.829 5.602 1.00 0.00 O ATOM 306 CB PRO A 19 29.361 23.753 3.618 1.00 0.00 C ATOM 307 CG PRO A 19 29.472 23.515 2.148 1.00 0.00 C ATOM 308 CD PRO A 19 30.339 24.654 1.604 1.00 0.00 C ATOM 0 HA PRO A 19 30.654 25.053 4.856 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.172 22.825 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 19 28.538 24.429 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.926 22.546 1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 19 28.489 23.513 1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.956 24.323 0.769 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.731 25.483 1.242 1.00 0.00 H new ATOM 316 N SER A 20 32.567 22.834 3.613 1.00 0.00 N ATOM 317 CA SER A 20 33.527 21.767 4.019 1.00 0.00 C ATOM 318 C SER A 20 34.648 22.367 4.875 1.00 0.00 C ATOM 319 O SER A 20 35.694 21.772 5.047 1.00 0.00 O ATOM 320 CB SER A 20 34.119 21.111 2.770 1.00 0.00 C ATOM 321 OG SER A 20 34.427 22.116 1.812 1.00 0.00 O ATOM 0 H SER A 20 32.660 23.164 2.652 1.00 0.00 H new ATOM 0 HA SER A 20 33.001 21.015 4.607 1.00 0.00 H new ATOM 0 HB2 SER A 20 35.018 20.553 3.030 1.00 0.00 H new ATOM 0 HB3 SER A 20 33.411 20.397 2.350 1.00 0.00 H new ATOM 0 HG SER A 20 34.808 21.699 1.011 1.00 0.00 H new ATOM 327 N ASP A 21 34.442 23.536 5.415 1.00 0.00 N ATOM 328 CA ASP A 21 35.492 24.164 6.256 1.00 0.00 C ATOM 329 C ASP A 21 35.653 23.357 7.552 1.00 0.00 C ATOM 330 O ASP A 21 34.693 22.867 8.115 1.00 0.00 O ATOM 331 CB ASP A 21 35.066 25.608 6.580 1.00 0.00 C ATOM 332 CG ASP A 21 35.632 26.573 5.534 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.970 26.114 4.455 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.721 27.751 5.831 1.00 0.00 O ATOM 0 H ASP A 21 33.588 24.083 5.308 1.00 0.00 H new ATOM 0 HA ASP A 21 36.445 24.176 5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 21 33.978 25.678 6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 21 35.422 25.886 7.572 1.00 0.00 H new ATOM 339 N THR A 22 36.861 23.216 8.026 1.00 0.00 N ATOM 340 CA THR A 22 37.090 22.444 9.281 1.00 0.00 C ATOM 341 C THR A 22 36.822 23.344 10.489 1.00 0.00 C ATOM 342 O THR A 22 37.060 24.534 10.453 1.00 0.00 O ATOM 343 CB THR A 22 38.539 21.954 9.321 1.00 0.00 C ATOM 344 OG1 THR A 22 39.416 23.069 9.270 1.00 0.00 O ATOM 345 CG2 THR A 22 38.803 21.037 8.126 1.00 0.00 C ATOM 0 H THR A 22 37.702 23.603 7.597 1.00 0.00 H new ATOM 0 HA THR A 22 36.416 21.588 9.309 1.00 0.00 H new ATOM 0 HB THR A 22 38.710 21.400 10.244 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.344 22.756 9.297 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.835 20.689 8.156 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.130 20.181 8.169 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.632 21.587 7.201 1.00 0.00 H new ATOM 353 N ILE A 23 36.318 22.784 11.556 1.00 0.00 N ATOM 354 CA ILE A 23 36.019 23.605 12.770 1.00 0.00 C ATOM 355 C ILE A 23 37.189 24.549 13.064 1.00 0.00 C ATOM 356 O ILE A 23 37.019 25.747 13.178 1.00 0.00 O ATOM 357 CB ILE A 23 35.793 22.672 13.958 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.484 21.911 13.747 1.00 0.00 C ATOM 359 CG2 ILE A 23 35.703 23.486 15.252 1.00 0.00 C ATOM 360 CD1 ILE A 23 34.397 20.768 14.751 1.00 0.00 C ATOM 0 H ILE A 23 36.099 21.791 11.641 1.00 0.00 H new ATOM 0 HA ILE A 23 35.123 24.202 12.596 1.00 0.00 H new ATOM 0 HB ILE A 23 36.625 21.972 14.035 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.635 22.584 13.870 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.437 21.521 12.730 1.00 0.00 H new ATOM 0 HG21 ILE A 23 35.542 22.813 16.094 1.00 0.00 H new ATOM 0 HG22 ILE A 23 36.632 24.037 15.400 1.00 0.00 H new ATOM 0 HG23 ILE A 23 34.872 24.187 15.183 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.464 20.224 14.603 1.00 0.00 H new ATOM 0 HD12 ILE A 23 35.239 20.091 14.606 1.00 0.00 H new ATOM 0 HD13 ILE A 23 34.425 21.170 15.764 1.00 0.00 H new ATOM 372 N GLU A 24 38.375 24.019 13.186 1.00 0.00 N ATOM 373 CA GLU A 24 39.558 24.878 13.468 1.00 0.00 C ATOM 374 C GLU A 24 39.554 26.085 12.527 1.00 0.00 C ATOM 375 O GLU A 24 40.017 27.155 12.873 1.00 0.00 O ATOM 376 CB GLU A 24 40.834 24.065 13.241 1.00 0.00 C ATOM 377 CG GLU A 24 40.723 23.296 11.922 1.00 0.00 C ATOM 378 CD GLU A 24 42.017 22.517 11.676 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.929 22.655 12.475 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.074 21.797 10.694 1.00 0.00 O ATOM 0 H GLU A 24 38.576 23.022 13.102 1.00 0.00 H new ATOM 0 HA GLU A 24 39.518 25.225 14.501 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.700 24.727 13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.987 23.371 14.067 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.875 22.612 11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.540 23.988 11.100 1.00 0.00 H new ATOM 387 N ASN A 25 39.034 25.924 11.344 1.00 0.00 N ATOM 388 CA ASN A 25 38.997 27.063 10.387 1.00 0.00 C ATOM 389 C ASN A 25 38.058 28.133 10.936 1.00 0.00 C ATOM 390 O ASN A 25 38.389 29.301 10.987 1.00 0.00 O ATOM 391 CB ASN A 25 38.487 26.575 9.029 1.00 0.00 C ATOM 392 CG ASN A 25 38.791 27.626 7.960 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.935 27.845 7.617 1.00 0.00 O ATOM 394 ND2 ASN A 25 37.808 28.290 7.414 1.00 0.00 N ATOM 0 H ASN A 25 38.633 25.052 10.998 1.00 0.00 H new ATOM 0 HA ASN A 25 39.997 27.478 10.262 1.00 0.00 H new ATOM 0 HB2 ASN A 25 38.962 25.629 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.414 26.390 9.077 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.001 28.992 6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.847 28.106 7.702 1.00 0.00 H new ATOM 401 N VAL A 26 36.891 27.739 11.366 1.00 0.00 N ATOM 402 CA VAL A 26 35.937 28.729 11.931 1.00 0.00 C ATOM 403 C VAL A 26 36.636 29.480 13.060 1.00 0.00 C ATOM 404 O VAL A 26 36.844 30.676 12.992 1.00 0.00 O ATOM 405 CB VAL A 26 34.722 27.989 12.489 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.675 29.000 12.949 1.00 0.00 C ATOM 407 CG2 VAL A 26 34.128 27.095 11.401 1.00 0.00 C ATOM 0 H VAL A 26 36.559 26.775 11.350 1.00 0.00 H new ATOM 0 HA VAL A 26 35.613 29.428 11.160 1.00 0.00 H new ATOM 0 HB VAL A 26 35.027 27.375 13.337 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.809 28.471 13.347 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.100 29.636 13.725 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.368 29.616 12.104 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.261 26.566 11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.823 27.708 10.553 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.876 26.372 11.075 1.00 0.00 H new ATOM 417 N LYS A 27 37.002 28.773 14.096 1.00 0.00 N ATOM 418 CA LYS A 27 37.699 29.403 15.250 1.00 0.00 C ATOM 419 C LYS A 27 38.730 30.426 14.758 1.00 0.00 C ATOM 420 O LYS A 27 38.988 31.420 15.405 1.00 0.00 O ATOM 421 CB LYS A 27 38.414 28.303 16.037 1.00 0.00 C ATOM 422 CG LYS A 27 37.378 27.405 16.715 1.00 0.00 C ATOM 423 CD LYS A 27 38.092 26.404 17.626 1.00 0.00 C ATOM 424 CE LYS A 27 37.061 25.620 18.439 1.00 0.00 C ATOM 425 NZ LYS A 27 36.545 26.477 19.543 1.00 0.00 N ATOM 0 H LYS A 27 36.844 27.770 14.191 1.00 0.00 H new ATOM 0 HA LYS A 27 36.973 29.917 15.880 1.00 0.00 H new ATOM 0 HB2 LYS A 27 39.041 27.713 15.369 1.00 0.00 H new ATOM 0 HB3 LYS A 27 39.072 28.745 16.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.681 28.009 17.296 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.792 26.876 15.964 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.695 25.720 17.029 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.774 26.929 18.295 1.00 0.00 H new ATOM 0 HE2 LYS A 27 36.240 25.303 17.796 1.00 0.00 H new ATOM 0 HE3 LYS A 27 37.514 24.716 18.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.718 26.021 19.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.288 26.605 20.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 36.268 27.404 19.162 1.00 0.00 H new ATOM 439 N ALA A 28 39.330 30.181 13.625 1.00 0.00 N ATOM 440 CA ALA A 28 40.353 31.131 13.101 1.00 0.00 C ATOM 441 C ALA A 28 39.689 32.444 12.662 1.00 0.00 C ATOM 442 O ALA A 28 40.023 33.508 13.144 1.00 0.00 O ATOM 443 CB ALA A 28 41.055 30.488 11.902 1.00 0.00 C ATOM 0 H ALA A 28 39.156 29.364 13.039 1.00 0.00 H new ATOM 0 HA ALA A 28 41.075 31.352 13.887 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.806 31.174 11.510 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.537 29.562 12.216 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.322 30.270 11.125 1.00 0.00 H new ATOM 449 N LYS A 29 38.763 32.380 11.745 1.00 0.00 N ATOM 450 CA LYS A 29 38.092 33.627 11.270 1.00 0.00 C ATOM 451 C LYS A 29 37.541 34.402 12.472 1.00 0.00 C ATOM 452 O LYS A 29 37.397 35.605 12.435 1.00 0.00 O ATOM 453 CB LYS A 29 36.942 33.257 10.320 1.00 0.00 C ATOM 454 CG LYS A 29 37.484 33.005 8.906 1.00 0.00 C ATOM 455 CD LYS A 29 38.384 31.769 8.906 1.00 0.00 C ATOM 456 CE LYS A 29 38.708 31.377 7.464 1.00 0.00 C ATOM 457 NZ LYS A 29 39.678 30.246 7.462 1.00 0.00 N ATOM 0 H LYS A 29 38.441 31.519 11.303 1.00 0.00 H new ATOM 0 HA LYS A 29 38.812 34.250 10.740 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.431 32.367 10.686 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.206 34.061 10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.657 32.863 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.045 33.874 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 29 39.303 31.975 9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 29 37.887 30.944 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.796 31.089 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.126 32.230 6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.473 29.614 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.645 30.618 7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.595 29.716 8.353 1.00 0.00 H new ATOM 471 N ILE A 30 37.232 33.722 13.537 1.00 0.00 N ATOM 472 CA ILE A 30 36.694 34.419 14.738 1.00 0.00 C ATOM 473 C ILE A 30 37.859 34.949 15.583 1.00 0.00 C ATOM 474 O ILE A 30 38.018 36.139 15.761 1.00 0.00 O ATOM 475 CB ILE A 30 35.853 33.426 15.543 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.562 33.137 14.770 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.506 34.025 16.906 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.849 31.931 15.380 1.00 0.00 C ATOM 0 H ILE A 30 37.328 32.711 13.630 1.00 0.00 H new ATOM 0 HA ILE A 30 36.070 35.262 14.442 1.00 0.00 H new ATOM 0 HB ILE A 30 36.415 32.504 15.693 1.00 0.00 H new ATOM 0 HG12 ILE A 30 33.909 34.009 14.798 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.791 32.943 13.722 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.907 33.313 17.474 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.424 34.244 17.451 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.939 34.945 16.765 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.932 31.732 14.825 1.00 0.00 H new ATOM 0 HD12 ILE A 30 34.501 31.059 15.329 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.605 32.141 16.421 1.00 0.00 H new ATOM 490 N GLN A 31 38.661 34.065 16.106 1.00 0.00 N ATOM 491 CA GLN A 31 39.820 34.471 16.953 1.00 0.00 C ATOM 492 C GLN A 31 40.502 35.733 16.399 1.00 0.00 C ATOM 493 O GLN A 31 40.795 36.661 17.124 1.00 0.00 O ATOM 494 CB GLN A 31 40.829 33.317 16.960 1.00 0.00 C ATOM 495 CG GLN A 31 42.132 33.761 17.641 1.00 0.00 C ATOM 496 CD GLN A 31 43.060 34.429 16.619 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.415 35.581 16.767 1.00 0.00 O ATOM 498 NE2 GLN A 31 43.469 33.747 15.584 1.00 0.00 N ATOM 0 H GLN A 31 38.561 33.058 15.980 1.00 0.00 H new ATOM 0 HA GLN A 31 39.466 34.694 17.960 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.409 32.459 17.485 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.034 32.996 15.939 1.00 0.00 H new ATOM 0 HG2 GLN A 31 41.910 34.456 18.451 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.630 32.900 18.088 1.00 0.00 H new ATOM 0 HE21 GLN A 31 43.170 32.780 15.460 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.087 34.181 14.899 1.00 0.00 H new ATOM 507 N ASP A 32 40.765 35.756 15.129 1.00 0.00 N ATOM 508 CA ASP A 32 41.444 36.946 14.524 1.00 0.00 C ATOM 509 C ASP A 32 40.495 38.152 14.503 1.00 0.00 C ATOM 510 O ASP A 32 40.824 39.224 14.971 1.00 0.00 O ATOM 511 CB ASP A 32 41.869 36.612 13.092 1.00 0.00 C ATOM 512 CG ASP A 32 42.847 35.436 13.110 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.771 35.472 13.905 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.654 34.520 12.329 1.00 0.00 O ATOM 0 H ASP A 32 40.542 35.005 14.475 1.00 0.00 H new ATOM 0 HA ASP A 32 42.319 37.196 15.125 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.995 36.362 12.491 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.337 37.481 12.628 1.00 0.00 H new ATOM 519 N LYS A 33 39.334 37.989 13.936 1.00 0.00 N ATOM 520 CA LYS A 33 38.375 39.125 13.849 1.00 0.00 C ATOM 521 C LYS A 33 38.051 39.647 15.256 1.00 0.00 C ATOM 522 O LYS A 33 37.953 40.840 15.471 1.00 0.00 O ATOM 523 CB LYS A 33 37.103 38.645 13.154 1.00 0.00 C ATOM 524 CG LYS A 33 37.268 38.680 11.623 1.00 0.00 C ATOM 525 CD LYS A 33 38.637 38.129 11.183 1.00 0.00 C ATOM 526 CE LYS A 33 38.592 37.780 9.692 1.00 0.00 C ATOM 527 NZ LYS A 33 39.951 37.370 9.237 1.00 0.00 N ATOM 0 H LYS A 33 39.006 37.114 13.527 1.00 0.00 H new ATOM 0 HA LYS A 33 38.817 39.939 13.275 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.869 37.630 13.476 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.263 39.275 13.448 1.00 0.00 H new ATOM 0 HG2 LYS A 33 36.474 38.095 11.158 1.00 0.00 H new ATOM 0 HG3 LYS A 33 37.158 39.705 11.269 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.416 38.868 11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.890 37.244 11.767 1.00 0.00 H new ATOM 0 HE2 LYS A 33 37.880 36.974 9.518 1.00 0.00 H new ATOM 0 HE3 LYS A 33 38.248 38.639 9.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 39.921 37.133 8.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.619 38.152 9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.262 36.538 9.778 1.00 0.00 H new ATOM 541 N GLU A 34 37.893 38.781 16.222 1.00 0.00 N ATOM 542 CA GLU A 34 37.592 39.254 17.607 1.00 0.00 C ATOM 543 C GLU A 34 38.907 39.439 18.369 1.00 0.00 C ATOM 544 O GLU A 34 38.981 40.171 19.336 1.00 0.00 O ATOM 545 CB GLU A 34 36.723 38.218 18.326 1.00 0.00 C ATOM 546 CG GLU A 34 35.621 37.731 17.384 1.00 0.00 C ATOM 547 CD GLU A 34 34.830 38.932 16.858 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.212 39.461 15.828 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.858 39.301 17.495 1.00 0.00 O ATOM 0 H GLU A 34 37.959 37.769 16.113 1.00 0.00 H new ATOM 0 HA GLU A 34 37.056 40.202 17.563 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.336 37.377 18.651 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.283 38.656 19.222 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.057 37.177 16.553 1.00 0.00 H new ATOM 0 HG3 GLU A 34 34.956 37.046 17.909 1.00 0.00 H new ATOM 556 N GLY A 35 39.946 38.778 17.937 1.00 0.00 N ATOM 557 CA GLY A 35 41.260 38.907 18.629 1.00 0.00 C ATOM 558 C GLY A 35 41.184 38.214 19.986 1.00 0.00 C ATOM 559 O GLY A 35 42.050 38.362 20.826 1.00 0.00 O ATOM 0 H GLY A 35 39.941 38.152 17.132 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.049 38.461 18.023 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.514 39.959 18.758 1.00 0.00 H new ATOM 563 N ILE A 36 40.142 37.464 20.208 1.00 0.00 N ATOM 564 CA ILE A 36 39.969 36.753 21.497 1.00 0.00 C ATOM 565 C ILE A 36 40.535 35.326 21.367 1.00 0.00 C ATOM 566 O ILE A 36 40.285 34.659 20.382 1.00 0.00 O ATOM 567 CB ILE A 36 38.478 36.694 21.796 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.917 38.115 21.748 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.260 36.103 23.183 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.419 38.078 22.015 1.00 0.00 C ATOM 0 H ILE A 36 39.390 37.313 19.535 1.00 0.00 H new ATOM 0 HA ILE A 36 40.495 37.268 22.301 1.00 0.00 H new ATOM 0 HB ILE A 36 37.972 36.069 21.061 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.414 38.739 22.491 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.113 38.562 20.773 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.192 36.061 23.397 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.677 35.097 23.219 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.755 36.728 23.927 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.018 39.091 21.981 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.929 37.468 21.256 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.235 37.648 23.000 1.00 0.00 H new ATOM 582 N PRO A 37 41.292 34.845 22.334 1.00 0.00 N ATOM 583 CA PRO A 37 41.875 33.469 22.268 1.00 0.00 C ATOM 584 C PRO A 37 40.808 32.382 22.532 1.00 0.00 C ATOM 585 O PRO A 37 40.177 32.384 23.571 1.00 0.00 O ATOM 586 CB PRO A 37 42.928 33.479 23.387 1.00 0.00 C ATOM 587 CG PRO A 37 42.412 34.462 24.385 1.00 0.00 C ATOM 588 CD PRO A 37 41.679 35.538 23.580 1.00 0.00 C ATOM 0 HA PRO A 37 42.286 33.236 21.286 1.00 0.00 H new ATOM 0 HB2 PRO A 37 43.045 32.490 23.830 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.906 33.776 23.008 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.740 33.980 25.095 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.228 34.896 24.963 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.807 35.914 24.116 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.323 36.394 23.378 1.00 0.00 H new ATOM 596 N PRO A 38 40.598 31.456 21.617 1.00 0.00 N ATOM 597 CA PRO A 38 39.591 30.369 21.794 1.00 0.00 C ATOM 598 C PRO A 38 39.546 29.825 23.225 1.00 0.00 C ATOM 599 O PRO A 38 38.538 29.324 23.679 1.00 0.00 O ATOM 600 CB PRO A 38 40.067 29.306 20.822 1.00 0.00 C ATOM 601 CG PRO A 38 40.608 30.094 19.685 1.00 0.00 C ATOM 602 CD PRO A 38 41.278 31.324 20.312 1.00 0.00 C ATOM 0 HA PRO A 38 38.575 30.716 21.609 1.00 0.00 H new ATOM 0 HB2 PRO A 38 40.830 28.668 21.267 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.251 28.655 20.507 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.325 29.509 19.109 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.813 30.388 18.999 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.352 31.180 20.431 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.142 32.213 19.696 1.00 0.00 H new ATOM 610 N ASP A 39 40.637 29.912 23.932 1.00 0.00 N ATOM 611 CA ASP A 39 40.662 29.394 25.327 1.00 0.00 C ATOM 612 C ASP A 39 39.530 30.032 26.132 1.00 0.00 C ATOM 613 O ASP A 39 38.882 29.388 26.933 1.00 0.00 O ATOM 614 CB ASP A 39 42.006 29.737 25.972 1.00 0.00 C ATOM 615 CG ASP A 39 43.108 28.886 25.342 1.00 0.00 C ATOM 616 OD1 ASP A 39 42.775 27.918 24.679 1.00 0.00 O ATOM 617 OD2 ASP A 39 44.267 29.215 25.532 1.00 0.00 O ATOM 0 H ASP A 39 41.513 30.320 23.604 1.00 0.00 H new ATOM 0 HA ASP A 39 40.529 28.312 25.315 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.227 30.796 25.835 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.962 29.557 27.046 1.00 0.00 H new ATOM 622 N GLN A 40 39.294 31.296 25.930 1.00 0.00 N ATOM 623 CA GLN A 40 38.214 31.995 26.681 1.00 0.00 C ATOM 624 C GLN A 40 36.893 31.908 25.910 1.00 0.00 C ATOM 625 O GLN A 40 35.918 32.536 26.273 1.00 0.00 O ATOM 626 CB GLN A 40 38.605 33.463 26.847 1.00 0.00 C ATOM 627 CG GLN A 40 39.927 33.552 27.612 1.00 0.00 C ATOM 628 CD GLN A 40 40.244 35.019 27.915 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.273 35.844 27.023 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.484 35.380 29.146 1.00 0.00 N ATOM 0 H GLN A 40 39.807 31.881 25.271 1.00 0.00 H new ATOM 0 HA GLN A 40 38.085 31.524 27.655 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.704 33.937 25.871 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.824 34.001 27.385 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.861 32.984 28.540 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.731 33.109 27.023 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.460 34.688 29.895 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.696 36.355 29.360 1.00 0.00 H new ATOM 639 N GLN A 41 36.853 31.144 24.847 1.00 0.00 N ATOM 640 CA GLN A 41 35.591 31.024 24.045 1.00 0.00 C ATOM 641 C GLN A 41 35.347 29.562 23.667 1.00 0.00 C ATOM 642 O GLN A 41 36.259 28.839 23.318 1.00 0.00 O ATOM 643 CB GLN A 41 35.727 31.845 22.763 1.00 0.00 C ATOM 644 CG GLN A 41 36.089 33.288 23.108 1.00 0.00 C ATOM 645 CD GLN A 41 36.319 34.071 21.815 1.00 0.00 C ATOM 646 OE1 GLN A 41 37.224 33.770 21.061 1.00 0.00 O ATOM 647 NE2 GLN A 41 35.533 35.070 21.522 1.00 0.00 N ATOM 0 H GLN A 41 37.639 30.597 24.498 1.00 0.00 H new ATOM 0 HA GLN A 41 34.756 31.391 24.642 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.495 31.411 22.122 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.792 31.819 22.203 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.289 33.748 23.688 1.00 0.00 H new ATOM 0 HG3 GLN A 41 36.986 33.313 23.727 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.773 35.324 22.154 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.678 35.598 20.661 1.00 0.00 H new ATOM 656 N ARG A 42 34.110 29.132 23.706 1.00 0.00 N ATOM 657 CA ARG A 42 33.771 27.729 23.323 1.00 0.00 C ATOM 658 C ARG A 42 32.559 27.781 22.402 1.00 0.00 C ATOM 659 O ARG A 42 31.631 28.531 22.631 1.00 0.00 O ATOM 660 CB ARG A 42 33.437 26.909 24.578 1.00 0.00 C ATOM 661 CG ARG A 42 34.731 26.533 25.328 1.00 0.00 C ATOM 662 CD ARG A 42 35.317 25.233 24.760 1.00 0.00 C ATOM 663 NE ARG A 42 36.747 25.118 25.162 1.00 0.00 N ATOM 664 CZ ARG A 42 37.064 24.642 26.337 1.00 0.00 C ATOM 665 NH1 ARG A 42 38.319 24.543 26.683 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.129 24.267 27.165 1.00 0.00 N ATOM 0 H ARG A 42 33.313 29.701 23.990 1.00 0.00 H new ATOM 0 HA ARG A 42 34.615 27.257 22.820 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.782 27.484 25.233 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.895 26.006 24.298 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.459 27.339 25.237 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.521 26.412 26.391 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.754 24.376 25.129 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.232 25.227 23.673 1.00 0.00 H new ATOM 0 HE ARG A 42 37.481 25.412 24.518 1.00 0.00 H new ATOM 0 HH11 ARG A 42 39.051 24.837 26.036 1.00 0.00 H new ATOM 0 HH12 ARG A 42 38.567 24.172 27.600 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.148 24.345 26.896 1.00 0.00 H new ATOM 0 HH22 ARG A 42 36.378 23.896 28.082 1.00 0.00 H new ATOM 680 N LEU A 43 32.556 27.012 21.353 1.00 0.00 N ATOM 681 CA LEU A 43 31.398 27.049 20.418 1.00 0.00 C ATOM 682 C LEU A 43 30.330 26.059 20.881 1.00 0.00 C ATOM 683 O LEU A 43 30.625 24.960 21.296 1.00 0.00 O ATOM 684 CB LEU A 43 31.870 26.665 19.016 1.00 0.00 C ATOM 685 CG LEU A 43 32.631 27.834 18.389 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.829 28.214 19.268 1.00 0.00 C ATOM 687 CD2 LEU A 43 33.128 27.415 17.009 1.00 0.00 C ATOM 0 H LEU A 43 33.301 26.362 21.102 1.00 0.00 H new ATOM 0 HA LEU A 43 30.976 28.054 20.403 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.512 25.786 19.066 1.00 0.00 H new ATOM 0 HB3 LEU A 43 31.015 26.400 18.394 1.00 0.00 H new ATOM 0 HG LEU A 43 31.968 28.695 18.304 1.00 0.00 H new ATOM 0 HD11 LEU A 43 34.364 29.047 18.813 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.476 28.506 20.257 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.499 27.359 19.359 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.672 28.241 16.552 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.790 26.554 17.106 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.277 27.150 16.381 1.00 0.00 H new ATOM 699 N ILE A 44 29.087 26.452 20.799 1.00 0.00 N ATOM 700 CA ILE A 44 27.959 25.559 21.220 1.00 0.00 C ATOM 701 C ILE A 44 26.960 25.456 20.069 1.00 0.00 C ATOM 702 O ILE A 44 26.604 26.448 19.462 1.00 0.00 O ATOM 703 CB ILE A 44 27.252 26.175 22.434 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.231 26.276 23.619 1.00 0.00 C ATOM 705 CG2 ILE A 44 26.043 25.310 22.826 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.807 24.899 23.992 1.00 0.00 C ATOM 0 H ILE A 44 28.798 27.367 20.453 1.00 0.00 H new ATOM 0 HA ILE A 44 28.344 24.572 21.478 1.00 0.00 H new ATOM 0 HB ILE A 44 26.907 27.176 22.175 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.045 26.955 23.364 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.718 26.703 24.481 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.544 25.752 23.689 1.00 0.00 H new ATOM 0 HG22 ILE A 44 25.345 25.259 21.990 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.381 24.305 23.078 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.494 25.007 24.832 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.995 24.228 24.272 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.341 24.485 23.137 1.00 0.00 H new ATOM 718 N PHE A 45 26.496 24.275 19.754 1.00 0.00 N ATOM 719 CA PHE A 45 25.520 24.134 18.640 1.00 0.00 C ATOM 720 C PHE A 45 24.617 22.921 18.899 1.00 0.00 C ATOM 721 O PHE A 45 25.006 21.792 18.685 1.00 0.00 O ATOM 722 CB PHE A 45 26.288 23.946 17.328 1.00 0.00 C ATOM 723 CG PHE A 45 25.336 23.545 16.229 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.590 24.520 15.558 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.200 22.197 15.885 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.706 24.145 14.540 1.00 0.00 C ATOM 727 CE2 PHE A 45 24.318 21.820 14.867 1.00 0.00 C ATOM 728 CZ PHE A 45 23.570 22.795 14.193 1.00 0.00 C ATOM 0 H PHE A 45 26.752 23.405 20.221 1.00 0.00 H new ATOM 0 HA PHE A 45 24.899 25.027 18.573 1.00 0.00 H new ATOM 0 HB2 PHE A 45 26.798 24.871 17.059 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.056 23.183 17.452 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.696 25.561 15.825 1.00 0.00 H new ATOM 0 HD2 PHE A 45 25.776 21.446 16.405 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.129 24.897 14.022 1.00 0.00 H new ATOM 0 HE2 PHE A 45 24.213 20.779 14.601 1.00 0.00 H new ATOM 0 HZ PHE A 45 22.889 22.505 13.406 1.00 0.00 H new ATOM 738 N ALA A 46 23.409 23.155 19.338 1.00 0.00 N ATOM 739 CA ALA A 46 22.459 22.029 19.590 1.00 0.00 C ATOM 740 C ALA A 46 22.828 21.271 20.876 1.00 0.00 C ATOM 741 O ALA A 46 22.466 20.124 21.045 1.00 0.00 O ATOM 742 CB ALA A 46 22.477 21.064 18.391 1.00 0.00 C ATOM 0 H ALA A 46 23.036 24.084 19.535 1.00 0.00 H new ATOM 0 HA ALA A 46 21.458 22.442 19.715 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.784 20.243 18.575 1.00 0.00 H new ATOM 0 HB2 ALA A 46 22.176 21.598 17.490 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.483 20.667 18.259 1.00 0.00 H new ATOM 748 N GLY A 47 23.526 21.894 21.791 1.00 0.00 N ATOM 749 CA GLY A 47 23.885 21.187 23.062 1.00 0.00 C ATOM 750 C GLY A 47 25.203 20.427 22.893 1.00 0.00 C ATOM 751 O GLY A 47 25.606 19.676 23.759 1.00 0.00 O ATOM 0 H GLY A 47 23.862 22.854 21.716 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.975 21.908 23.874 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.090 20.494 23.337 1.00 0.00 H new ATOM 755 N LYS A 48 25.878 20.620 21.789 1.00 0.00 N ATOM 756 CA LYS A 48 27.182 19.918 21.549 1.00 0.00 C ATOM 757 C LYS A 48 28.251 20.955 21.209 1.00 0.00 C ATOM 758 O LYS A 48 27.965 21.974 20.612 1.00 0.00 O ATOM 759 CB LYS A 48 27.029 18.951 20.382 1.00 0.00 C ATOM 760 CG LYS A 48 25.970 17.900 20.721 1.00 0.00 C ATOM 761 CD LYS A 48 25.817 16.933 19.546 1.00 0.00 C ATOM 762 CE LYS A 48 24.700 15.932 19.850 1.00 0.00 C ATOM 763 NZ LYS A 48 25.067 15.129 21.051 1.00 0.00 N ATOM 0 H LYS A 48 25.581 21.239 21.035 1.00 0.00 H new ATOM 0 HA LYS A 48 27.473 19.366 22.443 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.741 19.494 19.482 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.982 18.466 20.171 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.258 17.355 21.620 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.017 18.384 20.934 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.587 17.485 18.635 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.755 16.406 19.371 1.00 0.00 H new ATOM 0 HE2 LYS A 48 23.762 16.459 20.024 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.542 15.275 18.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.473 14.276 21.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 26.067 14.852 20.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 24.917 15.698 21.908 1.00 0.00 H new ATOM 777 N GLN A 49 29.486 20.712 21.575 1.00 0.00 N ATOM 778 CA GLN A 49 30.571 21.682 21.268 1.00 0.00 C ATOM 779 C GLN A 49 31.261 21.251 19.970 1.00 0.00 C ATOM 780 O GLN A 49 31.094 20.136 19.518 1.00 0.00 O ATOM 781 CB GLN A 49 31.584 21.669 22.427 1.00 0.00 C ATOM 782 CG GLN A 49 32.381 22.981 22.456 1.00 0.00 C ATOM 783 CD GLN A 49 33.671 22.785 23.256 1.00 0.00 C ATOM 784 OE1 GLN A 49 34.753 23.004 22.750 1.00 0.00 O ATOM 785 NE2 GLN A 49 33.601 22.380 24.495 1.00 0.00 N ATOM 0 H GLN A 49 29.786 19.876 22.077 1.00 0.00 H new ATOM 0 HA GLN A 49 30.167 22.687 21.149 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.061 21.533 23.374 1.00 0.00 H new ATOM 0 HB3 GLN A 49 32.265 20.825 22.314 1.00 0.00 H new ATOM 0 HG2 GLN A 49 32.617 23.297 21.440 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.781 23.772 22.905 1.00 0.00 H new ATOM 0 HE21 GLN A 49 32.693 22.196 24.921 1.00 0.00 H new ATOM 0 HE22 GLN A 49 34.455 22.248 25.037 1.00 0.00 H new ATOM 794 N LEU A 50 32.044 22.114 19.370 1.00 0.00 N ATOM 795 CA LEU A 50 32.760 21.747 18.109 1.00 0.00 C ATOM 796 C LEU A 50 34.238 21.519 18.435 1.00 0.00 C ATOM 797 O LEU A 50 34.918 22.400 18.923 1.00 0.00 O ATOM 798 CB LEU A 50 32.623 22.896 17.104 1.00 0.00 C ATOM 799 CG LEU A 50 31.165 23.363 17.052 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.008 24.420 15.954 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.252 22.169 16.749 1.00 0.00 C ATOM 0 H LEU A 50 32.219 23.063 19.702 1.00 0.00 H new ATOM 0 HA LEU A 50 32.334 20.840 17.680 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.270 23.724 17.393 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.946 22.568 16.116 1.00 0.00 H new ATOM 0 HG LEU A 50 30.887 23.793 18.014 1.00 0.00 H new ATOM 0 HD11 LEU A 50 29.971 24.753 15.916 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.655 25.270 16.172 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.287 23.990 14.992 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.215 22.504 16.713 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.527 21.735 15.788 1.00 0.00 H new ATOM 0 HD23 LEU A 50 30.363 21.418 17.531 1.00 0.00 H new ATOM 813 N GLU A 51 34.740 20.334 18.189 1.00 0.00 N ATOM 814 CA GLU A 51 36.175 20.042 18.503 1.00 0.00 C ATOM 815 C GLU A 51 37.043 20.292 17.268 1.00 0.00 C ATOM 816 O GLU A 51 36.671 19.973 16.158 1.00 0.00 O ATOM 817 CB GLU A 51 36.308 18.577 18.925 1.00 0.00 C ATOM 818 CG GLU A 51 35.404 18.306 20.128 1.00 0.00 C ATOM 819 CD GLU A 51 35.937 19.059 21.349 1.00 0.00 C ATOM 820 OE1 GLU A 51 35.534 20.193 21.545 1.00 0.00 O ATOM 821 OE2 GLU A 51 36.742 18.488 22.066 1.00 0.00 O ATOM 0 H GLU A 51 34.219 19.556 17.784 1.00 0.00 H new ATOM 0 HA GLU A 51 36.506 20.695 19.311 1.00 0.00 H new ATOM 0 HB2 GLU A 51 36.034 17.923 18.097 1.00 0.00 H new ATOM 0 HB3 GLU A 51 37.344 18.354 19.178 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.385 18.623 19.909 1.00 0.00 H new ATOM 0 HG3 GLU A 51 35.367 17.236 20.335 1.00 0.00 H new ATOM 828 N ASP A 52 38.205 20.859 17.459 1.00 0.00 N ATOM 829 CA ASP A 52 39.107 21.133 16.301 1.00 0.00 C ATOM 830 C ASP A 52 39.173 19.902 15.395 1.00 0.00 C ATOM 831 O ASP A 52 39.019 18.781 15.839 1.00 0.00 O ATOM 832 CB ASP A 52 40.509 21.462 16.817 1.00 0.00 C ATOM 833 CG ASP A 52 40.496 22.832 17.498 1.00 0.00 C ATOM 834 OD1 ASP A 52 39.518 23.543 17.333 1.00 0.00 O ATOM 835 OD2 ASP A 52 41.462 23.146 18.173 1.00 0.00 O ATOM 0 H ASP A 52 38.569 21.145 18.368 1.00 0.00 H new ATOM 0 HA ASP A 52 38.718 21.978 15.732 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.837 20.698 17.521 1.00 0.00 H new ATOM 0 HB3 ASP A 52 41.221 21.462 15.992 1.00 0.00 H new ATOM 840 N GLY A 53 39.399 20.104 14.124 1.00 0.00 N ATOM 841 CA GLY A 53 39.471 18.948 13.183 1.00 0.00 C ATOM 842 C GLY A 53 38.061 18.600 12.701 1.00 0.00 C ATOM 843 O GLY A 53 37.113 19.308 12.974 1.00 0.00 O ATOM 0 H GLY A 53 39.537 21.020 13.697 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.108 19.195 12.333 1.00 0.00 H new ATOM 0 HA3 GLY A 53 39.921 18.088 13.679 1.00 0.00 H new ATOM 847 N ARG A 54 37.922 17.513 11.987 1.00 0.00 N ATOM 848 CA ARG A 54 36.579 17.105 11.476 1.00 0.00 C ATOM 849 C ARG A 54 35.996 18.221 10.604 1.00 0.00 C ATOM 850 O ARG A 54 36.305 19.385 10.774 1.00 0.00 O ATOM 851 CB ARG A 54 35.639 16.820 12.655 1.00 0.00 C ATOM 852 CG ARG A 54 34.339 16.195 12.141 1.00 0.00 C ATOM 853 CD ARG A 54 33.564 15.595 13.315 1.00 0.00 C ATOM 854 NE ARG A 54 33.328 16.646 14.345 1.00 0.00 N ATOM 855 CZ ARG A 54 32.939 16.308 15.544 1.00 0.00 C ATOM 856 NH1 ARG A 54 32.737 17.229 16.448 1.00 0.00 N ATOM 857 NH2 ARG A 54 32.752 15.051 15.839 1.00 0.00 N ATOM 0 H ARG A 54 38.686 16.886 11.734 1.00 0.00 H new ATOM 0 HA ARG A 54 36.683 16.201 10.876 1.00 0.00 H new ATOM 0 HB2 ARG A 54 36.122 16.147 13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 54 35.422 17.744 13.191 1.00 0.00 H new ATOM 0 HG2 ARG A 54 33.733 16.950 11.639 1.00 0.00 H new ATOM 0 HG3 ARG A 54 34.560 15.423 11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 54 32.613 15.191 12.968 1.00 0.00 H new ATOM 0 HD3 ARG A 54 34.124 14.766 13.748 1.00 0.00 H new ATOM 0 HE ARG A 54 33.470 17.629 14.113 1.00 0.00 H new ATOM 0 HH11 ARG A 54 32.883 18.212 16.217 1.00 0.00 H new ATOM 0 HH12 ARG A 54 32.433 16.966 17.385 1.00 0.00 H new ATOM 0 HH21 ARG A 54 32.910 14.332 15.133 1.00 0.00 H new ATOM 0 HH22 ARG A 54 32.448 14.787 16.776 1.00 0.00 H new ATOM 871 N THR A 55 35.145 17.869 9.670 1.00 0.00 N ATOM 872 CA THR A 55 34.516 18.887 8.768 1.00 0.00 C ATOM 873 C THR A 55 32.994 18.817 8.933 1.00 0.00 C ATOM 874 O THR A 55 32.478 17.970 9.634 1.00 0.00 O ATOM 875 CB THR A 55 34.893 18.566 7.318 1.00 0.00 C ATOM 876 OG1 THR A 55 36.308 18.617 7.182 1.00 0.00 O ATOM 877 CG2 THR A 55 34.255 19.580 6.364 1.00 0.00 C ATOM 0 H THR A 55 34.856 16.907 9.492 1.00 0.00 H new ATOM 0 HA THR A 55 34.866 19.888 9.021 1.00 0.00 H new ATOM 0 HB THR A 55 34.528 17.570 7.068 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.555 18.411 6.256 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.532 19.339 5.338 1.00 0.00 H new ATOM 0 HG22 THR A 55 33.170 19.542 6.465 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.608 20.582 6.609 1.00 0.00 H new ATOM 885 N LEU A 56 32.265 19.691 8.290 1.00 0.00 N ATOM 886 CA LEU A 56 30.780 19.648 8.418 1.00 0.00 C ATOM 887 C LEU A 56 30.259 18.362 7.768 1.00 0.00 C ATOM 888 O LEU A 56 29.446 17.656 8.335 1.00 0.00 O ATOM 889 CB LEU A 56 30.163 20.869 7.719 1.00 0.00 C ATOM 890 CG LEU A 56 30.283 22.102 8.622 1.00 0.00 C ATOM 891 CD1 LEU A 56 31.758 22.475 8.795 1.00 0.00 C ATOM 892 CD2 LEU A 56 29.532 23.273 7.981 1.00 0.00 C ATOM 0 H LEU A 56 32.631 20.427 7.686 1.00 0.00 H new ATOM 0 HA LEU A 56 30.502 19.665 9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.669 21.051 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 56 29.115 20.676 7.489 1.00 0.00 H new ATOM 0 HG LEU A 56 29.852 21.880 9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 56 31.839 23.352 9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 56 32.293 21.641 9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 56 32.194 22.698 7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 56 29.615 24.152 8.620 1.00 0.00 H new ATOM 0 HD22 LEU A 56 29.965 23.492 7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 56 28.481 23.009 7.861 1.00 0.00 H new ATOM 904 N SER A 57 30.731 18.036 6.594 1.00 0.00 N ATOM 905 CA SER A 57 30.263 16.784 5.938 1.00 0.00 C ATOM 906 C SER A 57 30.598 15.610 6.858 1.00 0.00 C ATOM 907 O SER A 57 29.756 14.801 7.188 1.00 0.00 O ATOM 908 CB SER A 57 30.976 16.607 4.597 1.00 0.00 C ATOM 909 OG SER A 57 30.583 17.652 3.715 1.00 0.00 O ATOM 0 H SER A 57 31.415 18.578 6.066 1.00 0.00 H new ATOM 0 HA SER A 57 29.189 16.830 5.760 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.056 16.624 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.727 15.638 4.165 1.00 0.00 H new ATOM 0 HG SER A 57 31.039 17.543 2.855 1.00 0.00 H new ATOM 915 N ASP A 58 31.830 15.525 7.276 1.00 0.00 N ATOM 916 CA ASP A 58 32.232 14.416 8.184 1.00 0.00 C ATOM 917 C ASP A 58 31.309 14.423 9.404 1.00 0.00 C ATOM 918 O ASP A 58 31.070 13.404 10.022 1.00 0.00 O ATOM 919 CB ASP A 58 33.679 14.621 8.635 1.00 0.00 C ATOM 920 CG ASP A 58 34.625 14.341 7.464 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.167 13.785 6.480 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.789 14.687 7.574 1.00 0.00 O ATOM 0 H ASP A 58 32.575 16.176 7.028 1.00 0.00 H new ATOM 0 HA ASP A 58 32.153 13.462 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.818 15.641 8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.909 13.957 9.468 1.00 0.00 H new ATOM 927 N TYR A 59 30.782 15.568 9.749 1.00 0.00 N ATOM 928 CA TYR A 59 29.865 15.648 10.921 1.00 0.00 C ATOM 929 C TYR A 59 28.517 15.025 10.525 1.00 0.00 C ATOM 930 O TYR A 59 27.704 14.681 11.358 1.00 0.00 O ATOM 931 CB TYR A 59 29.682 17.138 11.309 1.00 0.00 C ATOM 932 CG TYR A 59 29.771 17.320 12.816 1.00 0.00 C ATOM 933 CD1 TYR A 59 30.764 18.142 13.367 1.00 0.00 C ATOM 934 CD2 TYR A 59 28.859 16.668 13.655 1.00 0.00 C ATOM 935 CE1 TYR A 59 30.843 18.311 14.754 1.00 0.00 C ATOM 936 CE2 TYR A 59 28.940 16.839 15.043 1.00 0.00 C ATOM 937 CZ TYR A 59 29.931 17.659 15.591 1.00 0.00 C ATOM 938 OH TYR A 59 30.009 17.826 16.959 1.00 0.00 O ATOM 0 H TYR A 59 30.948 16.452 9.268 1.00 0.00 H new ATOM 0 HA TYR A 59 30.274 15.108 11.775 1.00 0.00 H new ATOM 0 HB2 TYR A 59 30.446 17.742 10.820 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.716 17.495 10.952 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.468 18.645 12.721 1.00 0.00 H new ATOM 0 HD2 TYR A 59 28.094 16.034 13.232 1.00 0.00 H new ATOM 0 HE1 TYR A 59 31.608 18.945 15.178 1.00 0.00 H new ATOM 0 HE2 TYR A 59 28.236 16.337 15.690 1.00 0.00 H new ATOM 0 HH TYR A 59 29.301 17.305 17.393 1.00 0.00 H new ATOM 948 N ASN A 60 28.289 14.880 9.249 1.00 0.00 N ATOM 949 CA ASN A 60 27.008 14.280 8.776 1.00 0.00 C ATOM 950 C ASN A 60 25.832 15.074 9.349 1.00 0.00 C ATOM 951 O ASN A 60 24.891 14.514 9.876 1.00 0.00 O ATOM 952 CB ASN A 60 26.921 12.828 9.247 1.00 0.00 C ATOM 953 CG ASN A 60 25.781 12.120 8.513 1.00 0.00 C ATOM 954 OD1 ASN A 60 24.895 12.760 7.983 1.00 0.00 O ATOM 955 ND2 ASN A 60 25.767 10.816 8.457 1.00 0.00 N ATOM 0 H ASN A 60 28.937 15.152 8.510 1.00 0.00 H new ATOM 0 HA ASN A 60 26.972 14.311 7.687 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.864 12.316 9.056 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.752 12.793 10.323 1.00 0.00 H new ATOM 0 HD21 ASN A 60 25.012 10.335 7.968 1.00 0.00 H new ATOM 0 HD22 ASN A 60 26.511 10.278 8.902 1.00 0.00 H new ATOM 962 N ILE A 61 25.879 16.375 9.253 1.00 0.00 N ATOM 963 CA ILE A 61 24.772 17.204 9.790 1.00 0.00 C ATOM 964 C ILE A 61 23.463 16.844 9.079 1.00 0.00 C ATOM 965 O ILE A 61 23.458 16.446 7.930 1.00 0.00 O ATOM 966 CB ILE A 61 25.112 18.685 9.565 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.210 19.548 10.441 1.00 0.00 C ATOM 968 CG2 ILE A 61 24.911 19.062 8.093 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.614 21.017 10.304 1.00 0.00 C ATOM 0 H ILE A 61 26.642 16.898 8.823 1.00 0.00 H new ATOM 0 HA ILE A 61 24.648 17.017 10.857 1.00 0.00 H new ATOM 0 HB ILE A 61 26.156 18.853 9.830 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.168 19.418 10.147 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.289 19.234 11.482 1.00 0.00 H new ATOM 0 HG21 ILE A 61 25.156 20.114 7.950 1.00 0.00 H new ATOM 0 HG22 ILE A 61 25.562 18.450 7.469 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.872 18.890 7.812 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.968 21.632 10.931 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.650 21.140 10.619 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.512 21.327 9.264 1.00 0.00 H new ATOM 1066 N LEU A 67 22.484 27.115 8.464 1.00 0.00 N ATOM 1067 CA LEU A 67 23.461 26.729 9.526 1.00 0.00 C ATOM 1068 C LEU A 67 23.704 27.927 10.451 1.00 0.00 C ATOM 1069 O LEU A 67 24.193 28.960 10.031 1.00 0.00 O ATOM 1070 CB LEU A 67 24.781 26.310 8.870 1.00 0.00 C ATOM 1071 CG LEU A 67 24.665 24.879 8.335 1.00 0.00 C ATOM 1072 CD1 LEU A 67 23.506 24.794 7.338 1.00 0.00 C ATOM 1073 CD2 LEU A 67 25.970 24.492 7.636 1.00 0.00 C ATOM 0 HA LEU A 67 23.064 25.897 10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.026 26.993 8.057 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.593 26.372 9.594 1.00 0.00 H new ATOM 0 HG LEU A 67 24.478 24.196 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.426 23.775 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.577 25.070 7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.689 25.476 6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.890 23.474 7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 67 26.156 25.176 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.794 24.549 8.347 1.00 0.00 H new ATOM 1085 N HIS A 68 23.360 27.792 11.710 1.00 0.00 N ATOM 1086 CA HIS A 68 23.555 28.911 12.684 1.00 0.00 C ATOM 1087 C HIS A 68 24.279 28.382 13.926 1.00 0.00 C ATOM 1088 O HIS A 68 23.865 27.414 14.532 1.00 0.00 O ATOM 1089 CB HIS A 68 22.188 29.469 13.091 1.00 0.00 C ATOM 1090 CG HIS A 68 22.361 30.802 13.765 1.00 0.00 C ATOM 1091 ND1 HIS A 68 22.466 31.985 13.048 1.00 0.00 N ATOM 1092 CD2 HIS A 68 22.447 31.157 15.090 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.607 32.987 13.934 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.603 32.535 15.190 1.00 0.00 N ATOM 0 H HIS A 68 22.949 26.947 12.107 1.00 0.00 H new ATOM 0 HA HIS A 68 24.150 29.700 12.224 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.552 29.576 12.212 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.687 28.773 13.764 1.00 0.00 H new ATOM 0 HD2 HIS A 68 22.401 30.472 15.924 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.711 34.027 13.663 1.00 0.00 H new ATOM 0 HE2 HIS A 68 22.695 33.085 16.044 1.00 0.00 H new ATOM 1103 N LEU A 69 25.356 29.022 14.308 1.00 0.00 N ATOM 1104 CA LEU A 69 26.131 28.589 15.516 1.00 0.00 C ATOM 1105 C LEU A 69 26.048 29.695 16.569 1.00 0.00 C ATOM 1106 O LEU A 69 25.649 30.805 16.274 1.00 0.00 O ATOM 1107 CB LEU A 69 27.599 28.363 15.132 1.00 0.00 C ATOM 1108 CG LEU A 69 27.677 27.565 13.828 1.00 0.00 C ATOM 1109 CD1 LEU A 69 29.146 27.342 13.458 1.00 0.00 C ATOM 1110 CD2 LEU A 69 26.987 26.210 14.010 1.00 0.00 C ATOM 0 H LEU A 69 25.738 29.837 13.829 1.00 0.00 H new ATOM 0 HA LEU A 69 25.717 27.661 15.910 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.105 29.321 15.014 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.114 27.827 15.929 1.00 0.00 H new ATOM 0 HG LEU A 69 27.178 28.120 13.033 1.00 0.00 H new ATOM 0 HD11 LEU A 69 29.205 26.774 12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.638 28.306 13.326 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.642 26.788 14.255 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.044 25.645 13.080 1.00 0.00 H new ATOM 0 HD22 LEU A 69 27.483 25.653 14.805 1.00 0.00 H new ATOM 0 HD23 LEU A 69 25.941 26.367 14.275 1.00 0.00 H new ATOM 1122 N VAL A 70 26.424 29.417 17.792 1.00 0.00 N ATOM 1123 CA VAL A 70 26.372 30.468 18.854 1.00 0.00 C ATOM 1124 C VAL A 70 27.626 30.355 19.723 1.00 0.00 C ATOM 1125 O VAL A 70 27.931 29.309 20.260 1.00 0.00 O ATOM 1126 CB VAL A 70 25.119 30.270 19.716 1.00 0.00 C ATOM 1127 CG1 VAL A 70 23.894 30.801 18.969 1.00 0.00 C ATOM 1128 CG2 VAL A 70 24.920 28.780 20.010 1.00 0.00 C ATOM 0 H VAL A 70 26.765 28.507 18.101 1.00 0.00 H new ATOM 0 HA VAL A 70 26.331 31.456 18.396 1.00 0.00 H new ATOM 0 HB VAL A 70 25.243 30.812 20.653 1.00 0.00 H new ATOM 0 HG11 VAL A 70 23.004 30.660 19.583 1.00 0.00 H new ATOM 0 HG12 VAL A 70 24.027 31.863 18.761 1.00 0.00 H new ATOM 0 HG13 VAL A 70 23.777 30.259 18.030 1.00 0.00 H new ATOM 0 HG21 VAL A 70 24.028 28.646 20.623 1.00 0.00 H new ATOM 0 HG22 VAL A 70 24.801 28.237 19.072 1.00 0.00 H new ATOM 0 HG23 VAL A 70 25.789 28.395 20.544 1.00 0.00 H new ATOM 1138 N LEU A 71 28.364 31.422 19.855 1.00 0.00 N ATOM 1139 CA LEU A 71 29.608 31.384 20.674 1.00 0.00 C ATOM 1140 C LEU A 71 29.241 31.532 22.151 1.00 0.00 C ATOM 1141 O LEU A 71 28.281 32.196 22.490 1.00 0.00 O ATOM 1142 CB LEU A 71 30.513 32.553 20.257 1.00 0.00 C ATOM 1143 CG LEU A 71 31.946 32.349 20.800 1.00 0.00 C ATOM 1144 CD1 LEU A 71 32.766 31.510 19.812 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.627 33.712 20.983 1.00 0.00 C ATOM 0 H LEU A 71 28.157 32.325 19.428 1.00 0.00 H new ATOM 0 HA LEU A 71 30.128 30.439 20.519 1.00 0.00 H new ATOM 0 HB2 LEU A 71 30.537 32.632 19.170 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.104 33.490 20.635 1.00 0.00 H new ATOM 0 HG LEU A 71 31.890 31.832 21.758 1.00 0.00 H new ATOM 0 HD11 LEU A 71 33.774 31.371 20.202 1.00 0.00 H new ATOM 0 HD12 LEU A 71 32.291 30.538 19.679 1.00 0.00 H new ATOM 0 HD13 LEU A 71 32.816 32.024 18.852 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.637 33.566 21.366 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.674 34.227 20.024 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.055 34.313 21.690 1.00 0.00 H new ATOM 1157 N ARG A 72 30.006 30.936 23.035 1.00 0.00 N ATOM 1158 CA ARG A 72 29.723 31.049 24.501 1.00 0.00 C ATOM 1159 C ARG A 72 30.934 31.711 25.166 1.00 0.00 C ATOM 1160 O ARG A 72 32.003 31.759 24.588 1.00 0.00 O ATOM 1161 CB ARG A 72 29.520 29.638 25.083 1.00 0.00 C ATOM 1162 CG ARG A 72 28.752 29.709 26.426 1.00 0.00 C ATOM 1163 CD ARG A 72 27.245 29.533 26.194 1.00 0.00 C ATOM 1164 NE ARG A 72 26.720 30.682 25.402 1.00 0.00 N ATOM 1165 CZ ARG A 72 25.610 30.558 24.724 1.00 0.00 C ATOM 1166 NH1 ARG A 72 25.152 31.565 24.033 1.00 0.00 N ATOM 1167 NH2 ARG A 72 24.956 29.428 24.741 1.00 0.00 N ATOM 0 H ARG A 72 30.822 30.371 22.801 1.00 0.00 H new ATOM 0 HA ARG A 72 28.825 31.642 24.678 1.00 0.00 H new ATOM 0 HB2 ARG A 72 28.967 29.022 24.374 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.487 29.159 25.235 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.115 28.934 27.101 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.942 30.667 26.910 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.055 28.598 25.666 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.725 29.470 27.150 1.00 0.00 H new ATOM 0 HE ARG A 72 27.228 31.566 25.389 1.00 0.00 H new ATOM 0 HH11 ARG A 72 25.660 32.449 24.022 1.00 0.00 H new ATOM 0 HH12 ARG A 72 24.285 31.468 23.504 1.00 0.00 H new ATOM 0 HH21 ARG A 72 25.312 28.641 25.284 1.00 0.00 H new ATOM 0 HH22 ARG A 72 24.090 29.332 24.211 1.00 0.00 H new ATOM 1181 N LEU A 73 30.789 32.214 26.369 1.00 0.00 N ATOM 1182 CA LEU A 73 31.944 32.868 27.069 1.00 0.00 C ATOM 1183 C LEU A 73 32.291 32.064 28.324 1.00 0.00 C ATOM 1184 O LEU A 73 31.420 31.600 29.035 1.00 0.00 O ATOM 1185 CB LEU A 73 31.549 34.290 27.476 1.00 0.00 C ATOM 1186 CG LEU A 73 30.944 35.023 26.275 1.00 0.00 C ATOM 1187 CD1 LEU A 73 30.515 36.428 26.704 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.984 35.126 25.150 1.00 0.00 C ATOM 0 H LEU A 73 29.918 32.200 26.899 1.00 0.00 H new ATOM 0 HA LEU A 73 32.806 32.903 26.403 1.00 0.00 H new ATOM 0 HB2 LEU A 73 30.830 34.258 28.294 1.00 0.00 H new ATOM 0 HB3 LEU A 73 32.423 34.830 27.841 1.00 0.00 H new ATOM 0 HG LEU A 73 30.078 34.469 25.912 1.00 0.00 H new ATOM 0 HD11 LEU A 73 30.084 36.953 25.852 1.00 0.00 H new ATOM 0 HD12 LEU A 73 29.772 36.355 27.499 1.00 0.00 H new ATOM 0 HD13 LEU A 73 31.383 36.978 27.068 1.00 0.00 H new ATOM 0 HD21 LEU A 73 31.548 35.648 24.298 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.853 35.678 25.508 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.290 34.125 24.844 1.00 0.00 H new