USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 61 SER OG : rot -139:sc= 0.128 USER MOD Set 1.2: A 68 GLN : amide:sc= 0.184 K(o=0.31,f=-2.5) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 24 TYR OH : rot 151:sc= -0.0256 USER MOD Single : A 1 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.3!) USER MOD Single : A 1 ASN N :NH3+ 175:sc= 0.0333 (180deg=0.03) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00152 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 98:sc= 0.191 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.605 X(o=-0.6,f=-0.17) USER MOD Single : A 53 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.15) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 176:sc= 0.0969 (180deg=0.0924) USER MOD Single : A 75 HIS : no HD1:sc= -0.0126 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 9.536 33.367 26.189 1.00 20.00 N ATOM 2 CA ASN A 1 10.960 33.059 26.411 1.00 20.00 C ATOM 3 C ASN A 1 11.304 31.683 25.847 1.00 20.00 C ATOM 4 O ASN A 1 10.742 30.671 26.264 1.00 20.00 O ATOM 5 CB ASN A 1 11.334 33.174 27.897 1.00 20.00 C ATOM 6 CG ASN A 1 11.423 34.624 28.383 1.00 20.00 C ATOM 7 OD1 ASN A 1 10.844 35.534 27.794 1.00 20.00 O ATOM 8 ND2 ASN A 1 12.155 34.849 29.473 1.00 20.00 N ATOM 0 H1 ASN A 1 9.299 34.268 26.652 1.00 20.00 H new ATOM 0 H2 ASN A 1 9.353 33.444 25.168 1.00 20.00 H new ATOM 0 H3 ASN A 1 8.950 32.607 26.590 1.00 20.00 H new ATOM 0 HA ASN A 1 11.556 33.799 25.876 1.00 20.00 H new ATOM 0 HB2 ASN A 1 10.594 32.642 28.494 1.00 20.00 H new ATOM 0 HB3 ASN A 1 12.292 32.682 28.064 1.00 20.00 H new ATOM 0 HD21 ASN A 1 12.246 35.797 29.840 1.00 20.00 H new ATOM 0 HD22 ASN A 1 12.624 34.074 29.941 1.00 20.00 H new ATOM 17 N GLU A 2 12.236 31.677 24.889 1.00 20.00 N ATOM 18 CA GLU A 2 12.684 30.521 24.115 1.00 20.00 C ATOM 19 C GLU A 2 14.197 30.317 24.281 1.00 20.00 C ATOM 20 O GLU A 2 14.657 29.184 24.407 1.00 20.00 O ATOM 21 CB GLU A 2 12.292 30.769 22.649 1.00 20.00 C ATOM 22 CG GLU A 2 12.366 29.513 21.769 1.00 20.00 C ATOM 23 CD GLU A 2 11.251 28.488 22.009 1.00 20.00 C ATOM 24 OE1 GLU A 2 10.322 28.764 22.802 1.00 20.00 O ATOM 25 OE2 GLU A 2 11.344 27.407 21.387 1.00 20.00 O ATOM 0 H GLU A 2 12.725 32.530 24.619 1.00 20.00 H new ATOM 0 HA GLU A 2 12.210 29.605 24.468 1.00 20.00 H new ATOM 0 HB2 GLU A 2 11.277 31.166 22.616 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.947 31.534 22.231 1.00 20.00 H new ATOM 0 HG2 GLU A 2 12.339 29.818 20.723 1.00 20.00 H new ATOM 0 HG3 GLU A 2 13.328 29.027 21.935 1.00 20.00 H new ATOM 32 N CYS A 3 14.957 31.420 24.325 1.00 20.00 N ATOM 33 CA CYS A 3 16.405 31.457 24.504 1.00 20.00 C ATOM 34 C CYS A 3 16.842 31.017 25.910 1.00 20.00 C ATOM 35 O CYS A 3 17.939 30.480 26.056 1.00 20.00 O ATOM 36 CB CYS A 3 16.884 32.883 24.218 1.00 20.00 C ATOM 37 SG CYS A 3 16.270 33.536 22.644 1.00 20.00 S ATOM 0 H CYS A 3 14.554 32.352 24.232 1.00 20.00 H new ATOM 0 HA CYS A 3 16.857 30.748 23.811 1.00 20.00 H new ATOM 0 HB2 CYS A 3 16.561 33.538 25.027 1.00 20.00 H new ATOM 0 HB3 CYS A 3 17.974 32.899 24.211 1.00 20.00 H new ATOM 42 N VAL A 4 15.977 31.203 26.921 1.00 20.00 N ATOM 43 CA VAL A 4 16.122 30.646 28.271 1.00 20.00 C ATOM 44 C VAL A 4 16.081 29.114 28.213 1.00 20.00 C ATOM 45 O VAL A 4 16.987 28.465 28.737 1.00 20.00 O ATOM 46 CB VAL A 4 15.027 31.185 29.227 1.00 20.00 C ATOM 47 CG1 VAL A 4 15.081 30.508 30.609 1.00 20.00 C ATOM 48 CG2 VAL A 4 15.155 32.698 29.455 1.00 20.00 C ATOM 0 H VAL A 4 15.131 31.764 26.815 1.00 20.00 H new ATOM 0 HA VAL A 4 17.087 30.961 28.667 1.00 20.00 H new ATOM 0 HB VAL A 4 14.081 30.958 28.735 1.00 20.00 H new ATOM 0 HG11 VAL A 4 14.296 30.917 31.245 1.00 20.00 H new ATOM 0 HG12 VAL A 4 14.933 29.434 30.494 1.00 20.00 H new ATOM 0 HG13 VAL A 4 16.053 30.693 31.067 1.00 20.00 H new ATOM 0 HG21 VAL A 4 14.368 33.032 30.131 1.00 20.00 H new ATOM 0 HG22 VAL A 4 16.128 32.919 29.894 1.00 20.00 H new ATOM 0 HG23 VAL A 4 15.060 33.219 28.502 1.00 20.00 H new ATOM 58 N SER A 5 15.035 28.543 27.594 1.00 20.00 N ATOM 59 CA SER A 5 14.808 27.101 27.524 1.00 20.00 C ATOM 60 C SER A 5 15.938 26.369 26.785 1.00 20.00 C ATOM 61 O SER A 5 16.276 25.245 27.155 1.00 20.00 O ATOM 62 CB SER A 5 13.453 26.837 26.857 1.00 20.00 C ATOM 63 OG SER A 5 13.130 25.462 26.912 1.00 20.00 O ATOM 0 H SER A 5 14.313 29.086 27.121 1.00 20.00 H new ATOM 0 HA SER A 5 14.799 26.706 28.540 1.00 20.00 H new ATOM 0 HB2 SER A 5 12.677 27.418 27.355 1.00 20.00 H new ATOM 0 HB3 SER A 5 13.482 27.168 25.819 1.00 20.00 H new ATOM 0 HG SER A 5 12.262 25.313 26.483 1.00 20.00 H new ATOM 69 N LYS A 6 16.537 27.017 25.775 1.00 20.00 N ATOM 70 CA LYS A 6 17.707 26.527 25.056 1.00 20.00 C ATOM 71 C LYS A 6 18.965 26.641 25.931 1.00 20.00 C ATOM 72 O LYS A 6 19.622 25.631 26.176 1.00 20.00 O ATOM 73 CB LYS A 6 17.876 27.301 23.743 1.00 20.00 C ATOM 74 CG LYS A 6 16.759 27.010 22.723 1.00 20.00 C ATOM 75 CD LYS A 6 16.875 25.632 22.051 1.00 20.00 C ATOM 76 CE LYS A 6 18.103 25.534 21.139 1.00 20.00 C ATOM 77 NZ LYS A 6 18.102 24.287 20.352 1.00 20.00 N ATOM 0 H LYS A 6 16.207 27.919 25.432 1.00 20.00 H new ATOM 0 HA LYS A 6 17.561 25.473 24.818 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.895 28.369 23.958 1.00 20.00 H new ATOM 0 HB3 LYS A 6 18.839 27.048 23.300 1.00 20.00 H new ATOM 0 HG2 LYS A 6 15.794 27.079 23.226 1.00 20.00 H new ATOM 0 HG3 LYS A 6 16.773 27.781 21.953 1.00 20.00 H new ATOM 0 HD2 LYS A 6 16.931 24.859 22.818 1.00 20.00 H new ATOM 0 HD3 LYS A 6 15.975 25.437 21.468 1.00 20.00 H new ATOM 0 HE2 LYS A 6 18.124 26.390 20.464 1.00 20.00 H new ATOM 0 HE3 LYS A 6 19.009 25.582 21.743 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 18.948 24.257 19.748 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 18.108 23.470 20.996 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 17.250 24.253 19.757 1.00 20.00 H new ATOM 91 N GLY A 7 19.278 27.856 26.411 1.00 20.00 N ATOM 92 CA GLY A 7 20.375 28.148 27.329 1.00 20.00 C ATOM 93 C GLY A 7 21.454 29.041 26.707 1.00 20.00 C ATOM 94 O GLY A 7 22.630 28.682 26.752 1.00 20.00 O ATOM 0 H GLY A 7 18.749 28.690 26.156 1.00 20.00 H new ATOM 0 HA2 GLY A 7 19.977 28.635 28.219 1.00 20.00 H new ATOM 0 HA3 GLY A 7 20.829 27.212 27.654 1.00 20.00 H new ATOM 98 N PHE A 8 21.061 30.197 26.150 1.00 20.00 N ATOM 99 CA PHE A 8 21.944 31.195 25.538 1.00 20.00 C ATOM 100 C PHE A 8 21.888 32.532 26.294 1.00 20.00 C ATOM 101 O PHE A 8 21.179 32.658 27.293 1.00 20.00 O ATOM 102 CB PHE A 8 21.566 31.357 24.058 1.00 20.00 C ATOM 103 CG PHE A 8 21.605 30.071 23.261 1.00 20.00 C ATOM 104 CD1 PHE A 8 22.802 29.332 23.162 1.00 20.00 C ATOM 105 CD2 PHE A 8 20.441 29.602 22.623 1.00 20.00 C ATOM 106 CE1 PHE A 8 22.823 28.120 22.452 1.00 20.00 C ATOM 107 CE2 PHE A 8 20.485 28.419 21.867 1.00 20.00 C ATOM 108 CZ PHE A 8 21.669 27.670 21.795 1.00 20.00 C ATOM 0 H PHE A 8 20.079 30.471 26.114 1.00 20.00 H new ATOM 0 HA PHE A 8 22.976 30.851 25.601 1.00 20.00 H new ATOM 0 HB2 PHE A 8 20.563 31.779 23.995 1.00 20.00 H new ATOM 0 HB3 PHE A 8 22.244 32.076 23.599 1.00 20.00 H new ATOM 0 HD1 PHE A 8 23.703 29.698 23.632 1.00 20.00 H new ATOM 0 HD2 PHE A 8 19.515 30.151 22.715 1.00 20.00 H new ATOM 0 HE1 PHE A 8 23.729 27.534 22.412 1.00 20.00 H new ATOM 0 HE2 PHE A 8 19.604 28.085 21.339 1.00 20.00 H new ATOM 0 HZ PHE A 8 21.692 26.747 21.234 1.00 20.00 H new ATOM 118 N GLY A 9 22.661 33.524 25.829 1.00 20.00 N ATOM 119 CA GLY A 9 22.806 34.825 26.477 1.00 20.00 C ATOM 120 C GLY A 9 21.973 35.915 25.804 1.00 20.00 C ATOM 121 O GLY A 9 21.483 35.739 24.688 1.00 20.00 O ATOM 0 H GLY A 9 23.212 33.437 24.975 1.00 20.00 H new ATOM 0 HA2 GLY A 9 22.510 34.741 27.523 1.00 20.00 H new ATOM 0 HA3 GLY A 9 23.856 35.117 26.466 1.00 20.00 H new ATOM 125 N CYS A 10 21.871 37.064 26.487 1.00 20.00 N ATOM 126 CA CYS A 10 21.222 38.276 26.002 1.00 20.00 C ATOM 127 C CYS A 10 22.243 39.410 25.984 1.00 20.00 C ATOM 128 O CYS A 10 22.344 40.197 26.927 1.00 20.00 O ATOM 129 CB CYS A 10 19.979 38.623 26.831 1.00 20.00 C ATOM 130 SG CYS A 10 18.767 37.298 27.010 1.00 20.00 S ATOM 0 H CYS A 10 22.254 37.172 27.426 1.00 20.00 H new ATOM 0 HA CYS A 10 20.863 38.113 24.986 1.00 20.00 H new ATOM 0 HB2 CYS A 10 20.302 38.933 27.825 1.00 20.00 H new ATOM 0 HB3 CYS A 10 19.487 39.482 26.374 1.00 20.00 H new ATOM 135 N LEU A 11 23.014 39.463 24.895 1.00 20.00 N ATOM 136 CA LEU A 11 23.936 40.548 24.584 1.00 20.00 C ATOM 137 C LEU A 11 23.256 41.492 23.586 1.00 20.00 C ATOM 138 O LEU A 11 22.388 41.050 22.835 1.00 20.00 O ATOM 139 CB LEU A 11 25.223 39.967 23.966 1.00 20.00 C ATOM 140 CG LEU A 11 26.269 39.411 24.957 1.00 20.00 C ATOM 141 CD1 LEU A 11 26.823 40.491 25.899 1.00 20.00 C ATOM 142 CD2 LEU A 11 25.745 38.230 25.783 1.00 20.00 C ATOM 0 H LEU A 11 23.011 38.729 24.187 1.00 20.00 H new ATOM 0 HA LEU A 11 24.197 41.094 25.490 1.00 20.00 H new ATOM 0 HB2 LEU A 11 24.942 39.167 23.281 1.00 20.00 H new ATOM 0 HB3 LEU A 11 25.698 40.746 23.369 1.00 20.00 H new ATOM 0 HG LEU A 11 27.082 39.050 24.327 1.00 20.00 H new ATOM 0 HD11 LEU A 11 27.554 40.045 26.574 1.00 20.00 H new ATOM 0 HD12 LEU A 11 27.302 41.275 25.312 1.00 20.00 H new ATOM 0 HD13 LEU A 11 26.007 40.920 26.480 1.00 20.00 H new ATOM 0 HD21 LEU A 11 26.526 37.884 26.460 1.00 20.00 H new ATOM 0 HD22 LEU A 11 24.878 38.547 26.362 1.00 20.00 H new ATOM 0 HD23 LEU A 11 25.458 37.418 25.115 1.00 20.00 H new ATOM 154 N PRO A 12 23.659 42.773 23.521 1.00 20.00 N ATOM 155 CA PRO A 12 23.167 43.701 22.513 1.00 20.00 C ATOM 156 C PRO A 12 23.740 43.371 21.129 1.00 20.00 C ATOM 157 O PRO A 12 24.758 42.688 20.999 1.00 20.00 O ATOM 158 CB PRO A 12 23.595 45.084 23.009 1.00 20.00 C ATOM 159 CG PRO A 12 24.889 44.796 23.768 1.00 20.00 C ATOM 160 CD PRO A 12 24.631 43.421 24.389 1.00 20.00 C ATOM 0 HA PRO A 12 22.086 43.645 22.388 1.00 20.00 H new ATOM 0 HB2 PRO A 12 23.758 45.776 22.183 1.00 20.00 H new ATOM 0 HB3 PRO A 12 22.840 45.532 23.655 1.00 20.00 H new ATOM 0 HG2 PRO A 12 25.752 44.782 23.102 1.00 20.00 H new ATOM 0 HG3 PRO A 12 25.086 45.551 24.529 1.00 20.00 H new ATOM 0 HD2 PRO A 12 25.551 42.840 24.449 1.00 20.00 H new ATOM 0 HD3 PRO A 12 24.247 43.516 25.405 1.00 20.00 H new ATOM 168 N GLN A 13 23.083 43.906 20.095 1.00 20.00 N ATOM 169 CA GLN A 13 23.521 43.832 18.703 1.00 20.00 C ATOM 170 C GLN A 13 24.877 44.536 18.504 1.00 20.00 C ATOM 171 O GLN A 13 25.645 44.139 17.632 1.00 20.00 O ATOM 172 CB GLN A 13 22.453 44.474 17.801 1.00 20.00 C ATOM 173 CG GLN A 13 21.157 43.649 17.759 1.00 20.00 C ATOM 174 CD GLN A 13 20.063 44.347 16.955 1.00 20.00 C ATOM 175 OE1 GLN A 13 20.199 44.546 15.751 1.00 20.00 O ATOM 176 NE2 GLN A 13 18.964 44.717 17.613 1.00 20.00 N ATOM 0 H GLN A 13 22.207 44.416 20.210 1.00 20.00 H new ATOM 0 HA GLN A 13 23.650 42.784 18.434 1.00 20.00 H new ATOM 0 HB2 GLN A 13 22.231 45.478 18.162 1.00 20.00 H new ATOM 0 HB3 GLN A 13 22.848 44.578 16.791 1.00 20.00 H new ATOM 0 HG2 GLN A 13 21.363 42.672 17.321 1.00 20.00 H new ATOM 0 HG3 GLN A 13 20.805 43.474 18.776 1.00 20.00 H new ATOM 0 HE21 GLN A 13 18.884 44.536 18.614 1.00 20.00 H new ATOM 0 HE22 GLN A 13 18.204 45.181 17.116 1.00 20.00 H new ATOM 185 N SER A 14 25.196 45.552 19.321 1.00 20.00 N ATOM 186 CA SER A 14 26.474 46.257 19.311 1.00 20.00 C ATOM 187 C SER A 14 27.638 45.442 19.902 1.00 20.00 C ATOM 188 O SER A 14 28.790 45.786 19.640 1.00 20.00 O ATOM 189 CB SER A 14 26.311 47.595 20.043 1.00 20.00 C ATOM 190 OG SER A 14 25.791 47.437 21.349 1.00 20.00 O ATOM 0 H SER A 14 24.550 45.911 20.024 1.00 20.00 H new ATOM 0 HA SER A 14 26.745 46.425 18.269 1.00 20.00 H new ATOM 0 HB2 SER A 14 27.278 48.096 20.098 1.00 20.00 H new ATOM 0 HB3 SER A 14 25.649 48.242 19.468 1.00 20.00 H new ATOM 0 HG SER A 14 25.707 48.315 21.776 1.00 20.00 H new ATOM 196 N ASP A 15 27.360 44.359 20.648 1.00 20.00 N ATOM 197 CA ASP A 15 28.367 43.453 21.196 1.00 20.00 C ATOM 198 C ASP A 15 28.528 42.226 20.292 1.00 20.00 C ATOM 199 O ASP A 15 29.594 42.048 19.703 1.00 20.00 O ATOM 200 CB ASP A 15 28.006 43.068 22.638 1.00 20.00 C ATOM 201 CG ASP A 15 29.050 42.136 23.250 1.00 20.00 C ATOM 202 OD1 ASP A 15 30.046 42.662 23.794 1.00 20.00 O ATOM 203 OD2 ASP A 15 28.855 40.905 23.157 1.00 20.00 O ATOM 0 H ASP A 15 26.406 44.089 20.888 1.00 20.00 H new ATOM 0 HA ASP A 15 29.331 43.961 21.226 1.00 20.00 H new ATOM 0 HB2 ASP A 15 27.921 43.969 23.245 1.00 20.00 H new ATOM 0 HB3 ASP A 15 27.031 42.582 22.652 1.00 20.00 H new ATOM 208 N CYS A 16 27.491 41.380 20.189 1.00 20.00 N ATOM 209 CA CYS A 16 27.504 40.180 19.373 1.00 20.00 C ATOM 210 C CYS A 16 27.446 40.525 17.872 1.00 20.00 C ATOM 211 O CYS A 16 26.743 41.462 17.488 1.00 20.00 O ATOM 212 CB CYS A 16 26.336 39.284 19.800 1.00 20.00 C ATOM 213 SG CYS A 16 26.739 38.250 21.236 1.00 20.00 S ATOM 0 H CYS A 16 26.610 41.523 20.683 1.00 20.00 H new ATOM 0 HA CYS A 16 28.439 39.641 19.527 1.00 20.00 H new ATOM 0 HB2 CYS A 16 25.473 39.906 20.036 1.00 20.00 H new ATOM 0 HB3 CYS A 16 26.049 38.644 18.965 1.00 20.00 H new ATOM 218 N PRO A 17 28.155 39.767 17.009 1.00 20.00 N ATOM 219 CA PRO A 17 28.220 39.999 15.569 1.00 20.00 C ATOM 220 C PRO A 17 26.898 39.624 14.887 1.00 20.00 C ATOM 221 O PRO A 17 25.998 39.069 15.513 1.00 20.00 O ATOM 222 CB PRO A 17 29.388 39.131 15.085 1.00 20.00 C ATOM 223 CG PRO A 17 29.327 37.933 16.029 1.00 20.00 C ATOM 224 CD PRO A 17 28.929 38.585 17.352 1.00 20.00 C ATOM 0 HA PRO A 17 28.377 41.049 15.324 1.00 20.00 H new ATOM 0 HB2 PRO A 17 29.267 38.833 14.044 1.00 20.00 H new ATOM 0 HB3 PRO A 17 30.340 39.656 15.158 1.00 20.00 H new ATOM 0 HG2 PRO A 17 28.595 37.194 15.703 1.00 20.00 H new ATOM 0 HG3 PRO A 17 30.287 37.421 16.100 1.00 20.00 H new ATOM 0 HD2 PRO A 17 28.341 37.899 17.962 1.00 20.00 H new ATOM 0 HD3 PRO A 17 29.811 38.853 17.934 1.00 20.00 H new ATOM 232 N GLN A 18 26.791 39.922 13.587 1.00 20.00 N ATOM 233 CA GLN A 18 25.571 39.802 12.782 1.00 20.00 C ATOM 234 C GLN A 18 25.196 38.347 12.431 1.00 20.00 C ATOM 235 O GLN A 18 24.265 38.128 11.657 1.00 20.00 O ATOM 236 CB GLN A 18 25.736 40.681 11.528 1.00 20.00 C ATOM 237 CG GLN A 18 25.676 42.175 11.896 1.00 20.00 C ATOM 238 CD GLN A 18 26.086 43.093 10.743 1.00 20.00 C ATOM 239 OE1 GLN A 18 25.677 42.906 9.600 1.00 20.00 O ATOM 240 NE2 GLN A 18 26.903 44.104 11.037 1.00 20.00 N ATOM 0 H GLN A 18 27.584 40.267 13.046 1.00 20.00 H new ATOM 0 HA GLN A 18 24.729 40.153 13.378 1.00 20.00 H new ATOM 0 HB2 GLN A 18 26.688 40.459 11.045 1.00 20.00 H new ATOM 0 HB3 GLN A 18 24.951 40.447 10.809 1.00 20.00 H new ATOM 0 HG2 GLN A 18 24.663 42.426 12.210 1.00 20.00 H new ATOM 0 HG3 GLN A 18 26.329 42.360 12.749 1.00 20.00 H new ATOM 0 HE21 GLN A 18 27.227 44.236 11.995 1.00 20.00 H new ATOM 0 HE22 GLN A 18 27.204 44.746 10.304 1.00 20.00 H new ATOM 249 N GLU A 19 25.897 37.362 13.008 1.00 20.00 N ATOM 250 CA GLU A 19 25.815 35.937 12.698 1.00 20.00 C ATOM 251 C GLU A 19 25.477 35.082 13.927 1.00 20.00 C ATOM 252 O GLU A 19 24.690 34.143 13.808 1.00 20.00 O ATOM 253 CB GLU A 19 27.119 35.482 12.023 1.00 20.00 C ATOM 254 CG GLU A 19 28.412 35.943 12.721 1.00 20.00 C ATOM 255 CD GLU A 19 29.667 35.517 11.954 1.00 20.00 C ATOM 256 OE1 GLU A 19 30.551 36.383 11.771 1.00 20.00 O ATOM 257 OE2 GLU A 19 29.745 34.333 11.557 1.00 20.00 O ATOM 0 H GLU A 19 26.574 37.554 13.746 1.00 20.00 H new ATOM 0 HA GLU A 19 24.988 35.789 12.004 1.00 20.00 H new ATOM 0 HB2 GLU A 19 27.122 34.393 11.970 1.00 20.00 H new ATOM 0 HB3 GLU A 19 27.127 35.851 10.997 1.00 20.00 H new ATOM 0 HG2 GLU A 19 28.401 37.028 12.822 1.00 20.00 H new ATOM 0 HG3 GLU A 19 28.446 35.529 13.729 1.00 20.00 H new ATOM 264 N ALA A 20 26.022 35.426 15.104 1.00 20.00 N ATOM 265 CA ALA A 20 25.674 34.810 16.388 1.00 20.00 C ATOM 266 C ALA A 20 24.228 35.105 16.834 1.00 20.00 C ATOM 267 O ALA A 20 23.720 34.418 17.720 1.00 20.00 O ATOM 268 CB ALA A 20 26.665 35.277 17.462 1.00 20.00 C ATOM 0 H ALA A 20 26.731 36.155 15.188 1.00 20.00 H new ATOM 0 HA ALA A 20 25.738 33.730 16.254 1.00 20.00 H new ATOM 0 HB1 ALA A 20 26.408 34.820 18.418 1.00 20.00 H new ATOM 0 HB2 ALA A 20 27.675 34.981 17.178 1.00 20.00 H new ATOM 0 HB3 ALA A 20 26.617 36.362 17.554 1.00 20.00 H new ATOM 274 N ARG A 21 23.568 36.101 16.220 1.00 20.00 N ATOM 275 CA ARG A 21 22.192 36.514 16.485 1.00 20.00 C ATOM 276 C ARG A 21 21.212 35.424 16.041 1.00 20.00 C ATOM 277 O ARG A 21 21.035 35.190 14.845 1.00 20.00 O ATOM 278 CB ARG A 21 21.887 37.833 15.759 1.00 20.00 C ATOM 279 CG ARG A 21 22.720 39.004 16.300 1.00 20.00 C ATOM 280 CD ARG A 21 22.546 40.225 15.395 1.00 20.00 C ATOM 281 NE ARG A 21 23.583 41.239 15.619 1.00 20.00 N ATOM 282 CZ ARG A 21 23.651 42.398 14.953 1.00 20.00 C ATOM 283 NH1 ARG A 21 22.671 42.798 14.139 1.00 20.00 N ATOM 284 NH2 ARG A 21 24.722 43.174 15.091 1.00 20.00 N ATOM 0 H ARG A 21 24.007 36.663 15.491 1.00 20.00 H new ATOM 0 HA ARG A 21 22.074 36.668 17.558 1.00 20.00 H new ATOM 0 HB2 ARG A 21 22.084 37.712 14.694 1.00 20.00 H new ATOM 0 HB3 ARG A 21 20.827 38.066 15.863 1.00 20.00 H new ATOM 0 HG2 ARG A 21 22.408 39.246 17.316 1.00 20.00 H new ATOM 0 HG3 ARG A 21 23.772 38.722 16.348 1.00 20.00 H new ATOM 0 HD2 ARG A 21 22.571 39.908 14.352 1.00 20.00 H new ATOM 0 HD3 ARG A 21 21.565 40.667 15.570 1.00 20.00 H new ATOM 0 HE ARG A 21 24.295 41.049 16.325 1.00 20.00 H new ATOM 0 HH11 ARG A 21 21.844 42.215 14.012 1.00 20.00 H new ATOM 0 HH12 ARG A 21 22.750 43.686 13.644 1.00 20.00 H new ATOM 0 HH21 ARG A 21 25.486 42.885 15.702 1.00 20.00 H new ATOM 0 HH22 ARG A 21 24.780 44.058 14.586 1.00 20.00 H new ATOM 298 N LEU A 22 20.580 34.768 17.020 1.00 20.00 N ATOM 299 CA LEU A 22 19.544 33.758 16.829 1.00 20.00 C ATOM 300 C LEU A 22 18.208 34.388 16.409 1.00 20.00 C ATOM 301 O LEU A 22 18.028 35.605 16.464 1.00 20.00 O ATOM 302 CB LEU A 22 19.383 32.960 18.137 1.00 20.00 C ATOM 303 CG LEU A 22 20.615 32.100 18.480 1.00 20.00 C ATOM 304 CD1 LEU A 22 20.501 31.561 19.907 1.00 20.00 C ATOM 305 CD2 LEU A 22 20.755 30.924 17.504 1.00 20.00 C ATOM 0 H LEU A 22 20.787 34.936 18.005 1.00 20.00 H new ATOM 0 HA LEU A 22 19.846 33.090 16.022 1.00 20.00 H new ATOM 0 HB2 LEU A 22 19.192 33.653 18.956 1.00 20.00 H new ATOM 0 HB3 LEU A 22 18.509 32.314 18.056 1.00 20.00 H new ATOM 0 HG LEU A 22 21.499 32.733 18.396 1.00 20.00 H new ATOM 0 HD11 LEU A 22 21.377 30.955 20.138 1.00 20.00 H new ATOM 0 HD12 LEU A 22 20.441 32.394 20.607 1.00 20.00 H new ATOM 0 HD13 LEU A 22 19.603 30.949 19.994 1.00 20.00 H new ATOM 0 HD21 LEU A 22 21.632 30.334 17.769 1.00 20.00 H new ATOM 0 HD22 LEU A 22 19.865 30.297 17.560 1.00 20.00 H new ATOM 0 HD23 LEU A 22 20.867 31.305 16.489 1.00 20.00 H new ATOM 317 N SER A 23 17.267 33.525 16.003 1.00 20.00 N ATOM 318 CA SER A 23 15.927 33.896 15.538 1.00 20.00 C ATOM 319 C SER A 23 14.840 33.643 16.592 1.00 20.00 C ATOM 320 O SER A 23 13.703 34.072 16.397 1.00 20.00 O ATOM 321 CB SER A 23 15.612 33.152 14.235 1.00 20.00 C ATOM 322 OG SER A 23 16.500 33.558 13.211 1.00 20.00 O ATOM 0 H SER A 23 17.424 32.517 15.989 1.00 20.00 H new ATOM 0 HA SER A 23 15.926 34.971 15.355 1.00 20.00 H new ATOM 0 HB2 SER A 23 15.695 32.077 14.393 1.00 20.00 H new ATOM 0 HB3 SER A 23 14.583 33.351 13.934 1.00 20.00 H new ATOM 0 HG SER A 23 16.290 33.075 12.385 1.00 20.00 H new ATOM 328 N TYR A 24 15.188 33.008 17.722 1.00 20.00 N ATOM 329 CA TYR A 24 14.379 32.910 18.931 1.00 20.00 C ATOM 330 C TYR A 24 14.159 34.298 19.570 1.00 20.00 C ATOM 331 O TYR A 24 14.728 35.296 19.121 1.00 20.00 O ATOM 332 CB TYR A 24 15.131 32.011 19.921 1.00 20.00 C ATOM 333 CG TYR A 24 15.522 30.618 19.471 1.00 20.00 C ATOM 334 CD1 TYR A 24 14.587 29.743 18.885 1.00 20.00 C ATOM 335 CD2 TYR A 24 16.839 30.182 19.701 1.00 20.00 C ATOM 336 CE1 TYR A 24 14.972 28.435 18.538 1.00 20.00 C ATOM 337 CE2 TYR A 24 17.243 28.893 19.324 1.00 20.00 C ATOM 338 CZ TYR A 24 16.304 28.005 18.753 1.00 20.00 C ATOM 339 OH TYR A 24 16.684 26.739 18.424 1.00 20.00 O ATOM 0 H TYR A 24 16.084 32.529 17.814 1.00 20.00 H new ATOM 0 HA TYR A 24 13.401 32.498 18.682 1.00 20.00 H new ATOM 0 HB2 TYR A 24 16.041 32.532 20.218 1.00 20.00 H new ATOM 0 HB3 TYR A 24 14.514 31.911 20.814 1.00 20.00 H new ATOM 0 HD1 TYR A 24 13.576 30.076 18.702 1.00 20.00 H new ATOM 0 HD2 TYR A 24 17.547 30.847 20.173 1.00 20.00 H new ATOM 0 HE1 TYR A 24 14.250 27.757 18.107 1.00 20.00 H new ATOM 0 HE2 TYR A 24 18.267 28.581 19.469 1.00 20.00 H new ATOM 0 HH TYR A 24 17.634 26.735 18.184 1.00 20.00 H new ATOM 349 N GLY A 25 13.361 34.358 20.647 1.00 20.00 N ATOM 350 CA GLY A 25 13.080 35.588 21.385 1.00 20.00 C ATOM 351 C GLY A 25 13.008 35.390 22.902 1.00 20.00 C ATOM 352 O GLY A 25 13.065 34.268 23.409 1.00 20.00 O ATOM 0 H GLY A 25 12.889 33.539 21.031 1.00 20.00 H new ATOM 0 HA2 GLY A 25 13.853 36.322 21.159 1.00 20.00 H new ATOM 0 HA3 GLY A 25 12.135 36.003 21.036 1.00 20.00 H new ATOM 356 N GLY A 26 12.867 36.518 23.612 1.00 20.00 N ATOM 357 CA GLY A 26 12.674 36.609 25.058 1.00 20.00 C ATOM 358 C GLY A 26 13.815 37.314 25.807 1.00 20.00 C ATOM 359 O GLY A 26 13.682 37.543 27.009 1.00 20.00 O ATOM 0 H GLY A 26 12.886 37.435 23.167 1.00 20.00 H new ATOM 0 HA2 GLY A 26 11.743 37.141 25.255 1.00 20.00 H new ATOM 0 HA3 GLY A 26 12.558 35.603 25.461 1.00 20.00 H new ATOM 363 N CYS A 27 14.901 37.694 25.116 1.00 20.00 N ATOM 364 CA CYS A 27 15.921 38.621 25.610 1.00 20.00 C ATOM 365 C CYS A 27 15.403 40.070 25.630 1.00 20.00 C ATOM 366 O CYS A 27 14.239 40.326 25.314 1.00 20.00 O ATOM 367 CB CYS A 27 17.180 38.486 24.740 1.00 20.00 C ATOM 368 SG CYS A 27 18.170 37.013 25.092 1.00 20.00 S ATOM 0 H CYS A 27 15.095 37.354 24.174 1.00 20.00 H new ATOM 0 HA CYS A 27 16.168 38.366 26.640 1.00 20.00 H new ATOM 0 HB2 CYS A 27 16.883 38.469 23.691 1.00 20.00 H new ATOM 0 HB3 CYS A 27 17.802 39.370 24.881 1.00 20.00 H new ATOM 373 N SER A 28 16.268 41.023 26.017 1.00 20.00 N ATOM 374 CA SER A 28 15.933 42.448 26.089 1.00 20.00 C ATOM 375 C SER A 28 16.435 43.217 24.859 1.00 20.00 C ATOM 376 O SER A 28 16.045 44.368 24.664 1.00 20.00 O ATOM 377 CB SER A 28 16.506 43.062 27.371 1.00 20.00 C ATOM 378 OG SER A 28 16.028 42.393 28.519 1.00 20.00 O ATOM 0 H SER A 28 17.229 40.819 26.291 1.00 20.00 H new ATOM 0 HA SER A 28 14.846 42.531 26.105 1.00 20.00 H new ATOM 0 HB2 SER A 28 17.595 43.012 27.345 1.00 20.00 H new ATOM 0 HB3 SER A 28 16.236 44.117 27.424 1.00 20.00 H new ATOM 0 HG SER A 28 16.411 42.805 29.321 1.00 20.00 H new ATOM 384 N THR A 29 17.271 42.579 24.025 1.00 20.00 N ATOM 385 CA THR A 29 17.835 43.124 22.795 1.00 20.00 C ATOM 386 C THR A 29 17.824 42.048 21.707 1.00 20.00 C ATOM 387 O THR A 29 17.050 42.155 20.757 1.00 20.00 O ATOM 388 CB THR A 29 19.252 43.693 23.022 1.00 20.00 C ATOM 389 OG1 THR A 29 20.059 42.802 23.767 1.00 20.00 O ATOM 390 CG2 THR A 29 19.239 45.042 23.746 1.00 20.00 C ATOM 0 H THR A 29 17.582 41.624 24.205 1.00 20.00 H new ATOM 0 HA THR A 29 17.217 43.959 22.466 1.00 20.00 H new ATOM 0 HB THR A 29 19.668 43.831 22.024 1.00 20.00 H new ATOM 0 HG1 THR A 29 20.623 42.283 23.156 1.00 20.00 H new ATOM 0 HG21 THR A 29 20.262 45.394 23.878 1.00 20.00 H new ATOM 0 HG22 THR A 29 18.680 45.767 23.155 1.00 20.00 H new ATOM 0 HG23 THR A 29 18.766 44.927 24.721 1.00 20.00 H new ATOM 398 N VAL A 30 18.680 41.028 21.845 1.00 20.00 N ATOM 399 CA VAL A 30 18.843 39.933 20.892 1.00 20.00 C ATOM 400 C VAL A 30 19.451 38.722 21.614 1.00 20.00 C ATOM 401 O VAL A 30 20.286 38.876 22.507 1.00 20.00 O ATOM 402 CB VAL A 30 19.685 40.413 19.679 1.00 20.00 C ATOM 403 CG1 VAL A 30 21.124 40.823 20.023 1.00 20.00 C ATOM 404 CG2 VAL A 30 19.738 39.378 18.551 1.00 20.00 C ATOM 0 H VAL A 30 19.298 40.943 22.652 1.00 20.00 H new ATOM 0 HA VAL A 30 17.879 39.618 20.494 1.00 20.00 H new ATOM 0 HB VAL A 30 19.152 41.303 19.345 1.00 20.00 H new ATOM 0 HG11 VAL A 30 21.637 41.144 19.117 1.00 20.00 H new ATOM 0 HG12 VAL A 30 21.107 41.644 20.740 1.00 20.00 H new ATOM 0 HG13 VAL A 30 21.651 39.973 20.457 1.00 20.00 H new ATOM 0 HG21 VAL A 30 20.340 39.766 17.729 1.00 20.00 H new ATOM 0 HG22 VAL A 30 20.185 38.456 18.924 1.00 20.00 H new ATOM 0 HG23 VAL A 30 18.728 39.174 18.196 1.00 20.00 H new ATOM 414 N CYS A 31 19.031 37.513 21.221 1.00 20.00 N ATOM 415 CA CYS A 31 19.611 36.264 21.702 1.00 20.00 C ATOM 416 C CYS A 31 20.892 35.957 20.920 1.00 20.00 C ATOM 417 O CYS A 31 20.899 36.036 19.693 1.00 20.00 O ATOM 418 CB CYS A 31 18.594 35.129 21.556 1.00 20.00 C ATOM 419 SG CYS A 31 17.033 35.399 22.433 1.00 20.00 S ATOM 0 H CYS A 31 18.271 37.379 20.554 1.00 20.00 H new ATOM 0 HA CYS A 31 19.866 36.360 22.757 1.00 20.00 H new ATOM 0 HB2 CYS A 31 18.380 34.984 20.497 1.00 20.00 H new ATOM 0 HB3 CYS A 31 19.045 34.206 21.919 1.00 20.00 H new ATOM 424 N CYS A 32 21.966 35.599 21.635 1.00 20.00 N ATOM 425 CA CYS A 32 23.303 35.389 21.088 1.00 20.00 C ATOM 426 C CYS A 32 23.811 34.000 21.490 1.00 20.00 C ATOM 427 O CYS A 32 23.994 33.741 22.680 1.00 20.00 O ATOM 428 CB CYS A 32 24.226 36.517 21.573 1.00 20.00 C ATOM 429 SG CYS A 32 25.880 36.442 20.846 1.00 20.00 S ATOM 0 H CYS A 32 21.922 35.444 22.642 1.00 20.00 H new ATOM 0 HA CYS A 32 23.284 35.421 19.999 1.00 20.00 H new ATOM 0 HB2 CYS A 32 23.773 37.478 21.331 1.00 20.00 H new ATOM 0 HB3 CYS A 32 24.310 36.468 22.659 1.00 20.00 H new ATOM 434 N ASP A 33 24.010 33.111 20.500 1.00 20.00 N ATOM 435 CA ASP A 33 24.485 31.739 20.692 1.00 20.00 C ATOM 436 C ASP A 33 25.936 31.748 21.185 1.00 20.00 C ATOM 437 O ASP A 33 26.866 31.929 20.398 1.00 20.00 O ATOM 438 CB ASP A 33 24.332 30.910 19.397 1.00 20.00 C ATOM 439 CG ASP A 33 24.227 29.412 19.684 1.00 20.00 C ATOM 440 OD1 ASP A 33 25.053 28.914 20.480 1.00 20.00 O ATOM 441 OD2 ASP A 33 23.336 28.771 19.081 1.00 20.00 O ATOM 0 H ASP A 33 23.839 33.338 19.521 1.00 20.00 H new ATOM 0 HA ASP A 33 23.869 31.261 21.454 1.00 20.00 H new ATOM 0 HB2 ASP A 33 23.443 31.239 18.859 1.00 20.00 H new ATOM 0 HB3 ASP A 33 25.186 31.095 18.745 1.00 20.00 H new ATOM 446 N LEU A 34 26.120 31.572 22.498 1.00 20.00 N ATOM 447 CA LEU A 34 27.420 31.633 23.163 1.00 20.00 C ATOM 448 C LEU A 34 28.325 30.452 22.776 1.00 20.00 C ATOM 449 O LEU A 34 29.548 30.607 22.756 1.00 20.00 O ATOM 450 CB LEU A 34 27.216 31.687 24.688 1.00 20.00 C ATOM 451 CG LEU A 34 26.288 32.824 25.179 1.00 20.00 C ATOM 452 CD1 LEU A 34 26.142 32.743 26.703 1.00 20.00 C ATOM 453 CD2 LEU A 34 26.793 34.220 24.780 1.00 20.00 C ATOM 0 H LEU A 34 25.351 31.379 23.139 1.00 20.00 H new ATOM 0 HA LEU A 34 27.927 32.539 22.831 1.00 20.00 H new ATOM 0 HB2 LEU A 34 26.805 30.733 25.019 1.00 20.00 H new ATOM 0 HB3 LEU A 34 28.189 31.799 25.167 1.00 20.00 H new ATOM 0 HG LEU A 34 25.321 32.684 24.695 1.00 20.00 H new ATOM 0 HD11 LEU A 34 25.488 33.544 27.049 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.712 31.780 26.977 1.00 20.00 H new ATOM 0 HD13 LEU A 34 27.122 32.848 27.168 1.00 20.00 H new ATOM 0 HD21 LEU A 34 26.102 34.977 25.151 1.00 20.00 H new ATOM 0 HD22 LEU A 34 27.780 34.387 25.211 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.856 34.288 23.694 1.00 20.00 H new ATOM 465 N SER A 35 27.729 29.301 22.420 1.00 20.00 N ATOM 466 CA SER A 35 28.421 28.124 21.894 1.00 20.00 C ATOM 467 C SER A 35 28.910 28.312 20.448 1.00 20.00 C ATOM 468 O SER A 35 29.691 27.489 19.971 1.00 20.00 O ATOM 469 CB SER A 35 27.494 26.903 21.967 1.00 20.00 C ATOM 470 OG SER A 35 27.140 26.606 23.302 1.00 20.00 O ATOM 0 H SER A 35 26.721 29.166 22.495 1.00 20.00 H new ATOM 0 HA SER A 35 29.304 27.971 22.514 1.00 20.00 H new ATOM 0 HB2 SER A 35 26.593 27.092 21.383 1.00 20.00 H new ATOM 0 HB3 SER A 35 27.989 26.041 21.519 1.00 20.00 H new ATOM 0 HG SER A 35 26.548 25.825 23.317 1.00 20.00 H new ATOM 476 N LYS A 36 28.493 29.392 19.765 1.00 20.00 N ATOM 477 CA LYS A 36 28.950 29.786 18.428 1.00 20.00 C ATOM 478 C LYS A 36 29.565 31.197 18.444 1.00 20.00 C ATOM 479 O LYS A 36 29.639 31.851 17.403 1.00 20.00 O ATOM 480 CB LYS A 36 27.824 29.649 17.387 1.00 20.00 C ATOM 481 CG LYS A 36 27.046 28.332 17.506 1.00 20.00 C ATOM 482 CD LYS A 36 26.296 27.967 16.222 1.00 20.00 C ATOM 483 CE LYS A 36 25.473 26.702 16.480 1.00 20.00 C ATOM 484 NZ LYS A 36 24.693 26.301 15.296 1.00 20.00 N ATOM 0 H LYS A 36 27.801 30.037 20.147 1.00 20.00 H new ATOM 0 HA LYS A 36 29.741 29.099 18.126 1.00 20.00 H new ATOM 0 HB2 LYS A 36 27.132 30.483 17.499 1.00 20.00 H new ATOM 0 HB3 LYS A 36 28.252 29.721 16.387 1.00 20.00 H new ATOM 0 HG2 LYS A 36 27.738 27.528 17.758 1.00 20.00 H new ATOM 0 HG3 LYS A 36 26.334 28.409 18.328 1.00 20.00 H new ATOM 0 HD2 LYS A 36 25.645 28.787 15.918 1.00 20.00 H new ATOM 0 HD3 LYS A 36 27.000 27.801 15.407 1.00 20.00 H new ATOM 0 HE2 LYS A 36 26.139 25.889 16.768 1.00 20.00 H new ATOM 0 HE3 LYS A 36 24.798 26.873 17.318 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 24.150 25.441 15.513 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 24.039 27.067 15.036 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 25.338 26.112 14.503 1.00 20.00 H new ATOM 498 N LEU A 37 30.010 31.654 19.625 1.00 20.00 N ATOM 499 CA LEU A 37 30.686 32.924 19.860 1.00 20.00 C ATOM 500 C LEU A 37 32.106 32.628 20.367 1.00 20.00 C ATOM 501 O LEU A 37 33.082 33.019 19.725 1.00 20.00 O ATOM 502 CB LEU A 37 29.852 33.763 20.854 1.00 20.00 C ATOM 503 CG LEU A 37 30.078 35.287 20.831 1.00 20.00 C ATOM 504 CD1 LEU A 37 31.547 35.707 20.857 1.00 20.00 C ATOM 505 CD2 LEU A 37 29.419 35.939 19.614 1.00 20.00 C ATOM 0 H LEU A 37 29.898 31.113 20.482 1.00 20.00 H new ATOM 0 HA LEU A 37 30.775 33.510 18.946 1.00 20.00 H new ATOM 0 HB2 LEU A 37 28.797 33.572 20.659 1.00 20.00 H new ATOM 0 HB3 LEU A 37 30.060 33.403 21.862 1.00 20.00 H new ATOM 0 HG LEU A 37 29.614 35.635 21.754 1.00 20.00 H new ATOM 0 HD11 LEU A 37 31.615 36.795 20.838 1.00 20.00 H new ATOM 0 HD12 LEU A 37 32.017 35.330 21.765 1.00 20.00 H new ATOM 0 HD13 LEU A 37 32.058 35.297 19.986 1.00 20.00 H new ATOM 0 HD21 LEU A 37 29.601 37.014 19.634 1.00 20.00 H new ATOM 0 HD22 LEU A 37 29.841 35.516 18.702 1.00 20.00 H new ATOM 0 HD23 LEU A 37 28.345 35.752 19.638 1.00 20.00 H new ATOM 517 N THR A 38 32.212 31.919 21.501 1.00 20.00 N ATOM 518 CA THR A 38 33.473 31.503 22.119 1.00 20.00 C ATOM 519 C THR A 38 33.908 30.121 21.614 1.00 20.00 C ATOM 520 O THR A 38 33.084 29.319 21.169 1.00 20.00 O ATOM 521 CB THR A 38 33.354 31.512 23.655 1.00 20.00 C ATOM 522 OG1 THR A 38 32.321 30.655 24.097 1.00 20.00 O ATOM 523 CG2 THR A 38 33.112 32.923 24.202 1.00 20.00 C ATOM 0 H THR A 38 31.394 31.611 22.027 1.00 20.00 H new ATOM 0 HA THR A 38 34.242 32.220 21.830 1.00 20.00 H new ATOM 0 HB THR A 38 34.307 31.150 24.039 1.00 20.00 H new ATOM 0 HG1 THR A 38 32.271 30.681 25.075 1.00 20.00 H new ATOM 0 HG21 THR A 38 33.034 32.884 25.289 1.00 20.00 H new ATOM 0 HG22 THR A 38 33.943 33.570 23.921 1.00 20.00 H new ATOM 0 HG23 THR A 38 32.186 33.321 23.786 1.00 20.00 H new ATOM 531 N GLY A 39 35.217 29.852 21.705 1.00 20.00 N ATOM 532 CA GLY A 39 35.870 28.648 21.200 1.00 20.00 C ATOM 533 C GLY A 39 37.247 28.961 20.605 1.00 20.00 C ATOM 534 O GLY A 39 37.687 30.112 20.629 1.00 20.00 O ATOM 0 H GLY A 39 35.871 30.495 22.151 1.00 20.00 H new ATOM 0 HA2 GLY A 39 35.978 27.925 22.009 1.00 20.00 H new ATOM 0 HA3 GLY A 39 35.241 28.184 20.440 1.00 20.00 H new ATOM 538 N CYS A 40 37.914 27.938 20.047 1.00 20.00 N ATOM 539 CA CYS A 40 39.158 28.088 19.280 1.00 20.00 C ATOM 540 C CYS A 40 38.992 28.996 18.047 1.00 20.00 C ATOM 541 O CYS A 40 39.959 29.635 17.638 1.00 20.00 O ATOM 542 CB CYS A 40 39.684 26.712 18.853 1.00 20.00 C ATOM 543 SG CYS A 40 40.976 25.999 19.918 1.00 20.00 S ATOM 0 H CYS A 40 37.599 26.971 20.118 1.00 20.00 H new ATOM 0 HA CYS A 40 39.880 28.572 19.938 1.00 20.00 H new ATOM 0 HB2 CYS A 40 38.845 26.018 18.816 1.00 20.00 H new ATOM 0 HB3 CYS A 40 40.077 26.792 17.839 1.00 20.00 H new ATOM 548 N LYS A 41 37.769 29.107 17.504 1.00 20.00 N ATOM 549 CA LYS A 41 37.369 30.082 16.482 1.00 20.00 C ATOM 550 C LYS A 41 37.509 31.551 16.928 1.00 20.00 C ATOM 551 O LYS A 41 37.434 32.441 16.080 1.00 20.00 O ATOM 552 CB LYS A 41 35.913 29.814 16.060 1.00 20.00 C ATOM 553 CG LYS A 41 35.800 28.627 15.090 1.00 20.00 C ATOM 554 CD LYS A 41 34.342 28.321 14.717 1.00 20.00 C ATOM 555 CE LYS A 41 33.589 27.662 15.875 1.00 20.00 C ATOM 556 NZ LYS A 41 32.152 27.526 15.580 1.00 20.00 N ATOM 0 H LYS A 41 37.002 28.493 17.778 1.00 20.00 H new ATOM 0 HA LYS A 41 38.054 29.947 15.645 1.00 20.00 H new ATOM 0 HB2 LYS A 41 35.310 29.616 16.946 1.00 20.00 H new ATOM 0 HB3 LYS A 41 35.503 30.707 15.588 1.00 20.00 H new ATOM 0 HG2 LYS A 41 36.367 28.844 14.185 1.00 20.00 H new ATOM 0 HG3 LYS A 41 36.250 27.744 15.544 1.00 20.00 H new ATOM 0 HD2 LYS A 41 33.837 29.244 14.433 1.00 20.00 H new ATOM 0 HD3 LYS A 41 34.319 27.665 13.847 1.00 20.00 H new ATOM 0 HE2 LYS A 41 34.015 26.679 16.074 1.00 20.00 H new ATOM 0 HE3 LYS A 41 33.721 28.255 16.780 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 31.673 27.076 16.386 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 31.741 28.467 15.415 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 32.026 26.939 14.731 1.00 20.00 H new ATOM 570 N GLY A 42 37.723 31.813 18.227 1.00 20.00 N ATOM 571 CA GLY A 42 37.912 33.136 18.805 1.00 20.00 C ATOM 572 C GLY A 42 39.255 33.731 18.391 1.00 20.00 C ATOM 573 O GLY A 42 39.324 34.460 17.402 1.00 20.00 O ATOM 0 H GLY A 42 37.770 31.071 18.926 1.00 20.00 H new ATOM 0 HA2 GLY A 42 37.105 33.795 18.484 1.00 20.00 H new ATOM 0 HA3 GLY A 42 37.859 33.072 19.892 1.00 20.00 H new ATOM 577 N LYS A 43 40.313 33.432 19.158 1.00 20.00 N ATOM 578 CA LYS A 43 41.672 33.909 18.905 1.00 20.00 C ATOM 579 C LYS A 43 42.367 33.006 17.878 1.00 20.00 C ATOM 580 O LYS A 43 42.859 33.506 16.867 1.00 20.00 O ATOM 581 CB LYS A 43 42.475 33.962 20.218 1.00 20.00 C ATOM 582 CG LYS A 43 42.169 35.156 21.142 1.00 20.00 C ATOM 583 CD LYS A 43 40.765 35.177 21.770 1.00 20.00 C ATOM 584 CE LYS A 43 39.778 36.007 20.942 1.00 20.00 C ATOM 585 NZ LYS A 43 38.394 35.838 21.420 1.00 20.00 N ATOM 0 H LYS A 43 40.242 32.841 19.986 1.00 20.00 H new ATOM 0 HA LYS A 43 41.620 34.918 18.497 1.00 20.00 H new ATOM 0 HB2 LYS A 43 42.291 33.041 20.772 1.00 20.00 H new ATOM 0 HB3 LYS A 43 43.537 33.979 19.972 1.00 20.00 H new ATOM 0 HG2 LYS A 43 42.905 35.167 21.945 1.00 20.00 H new ATOM 0 HG3 LYS A 43 42.305 36.075 20.573 1.00 20.00 H new ATOM 0 HD2 LYS A 43 40.393 34.156 21.861 1.00 20.00 H new ATOM 0 HD3 LYS A 43 40.825 35.585 22.779 1.00 20.00 H new ATOM 0 HE2 LYS A 43 40.055 37.060 20.992 1.00 20.00 H new ATOM 0 HE3 LYS A 43 39.841 35.711 19.895 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 37.753 36.413 20.837 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 38.122 34.837 21.349 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 38.329 36.144 22.412 1.00 20.00 H new ATOM 599 N GLY A 44 42.393 31.688 18.128 1.00 20.00 N ATOM 600 CA GLY A 44 42.952 30.691 17.218 1.00 20.00 C ATOM 601 C GLY A 44 43.275 29.342 17.874 1.00 20.00 C ATOM 602 O GLY A 44 43.455 28.363 17.151 1.00 20.00 O ATOM 0 H GLY A 44 42.018 31.283 18.986 1.00 20.00 H new ATOM 0 HA2 GLY A 44 42.247 30.525 16.403 1.00 20.00 H new ATOM 0 HA3 GLY A 44 43.863 31.093 16.774 1.00 20.00 H new ATOM 606 N GLY A 45 43.338 29.277 19.214 1.00 20.00 N ATOM 607 CA GLY A 45 43.641 28.067 19.975 1.00 20.00 C ATOM 608 C GLY A 45 45.119 27.936 20.347 1.00 20.00 C ATOM 609 O GLY A 45 45.954 28.746 19.940 1.00 20.00 O ATOM 0 H GLY A 45 43.174 30.090 19.808 1.00 20.00 H new ATOM 0 HA2 GLY A 45 43.043 28.061 20.886 1.00 20.00 H new ATOM 0 HA3 GLY A 45 43.342 27.196 19.392 1.00 20.00 H new ATOM 613 N GLU A 46 45.433 26.880 21.110 1.00 20.00 N ATOM 614 CA GLU A 46 46.789 26.534 21.531 1.00 20.00 C ATOM 615 C GLU A 46 46.968 25.009 21.607 1.00 20.00 C ATOM 616 O GLU A 46 46.006 24.260 21.768 1.00 20.00 O ATOM 617 CB GLU A 46 47.078 27.207 22.890 1.00 20.00 C ATOM 618 CG GLU A 46 48.539 27.160 23.344 1.00 20.00 C ATOM 619 CD GLU A 46 49.517 27.710 22.306 1.00 20.00 C ATOM 620 OE1 GLU A 46 49.615 28.952 22.203 1.00 20.00 O ATOM 621 OE2 GLU A 46 50.162 26.885 21.621 1.00 20.00 O ATOM 0 H GLU A 46 44.729 26.229 21.458 1.00 20.00 H new ATOM 0 HA GLU A 46 47.505 26.900 20.795 1.00 20.00 H new ATOM 0 HB2 GLU A 46 46.765 28.250 22.835 1.00 20.00 H new ATOM 0 HB3 GLU A 46 46.462 26.729 23.652 1.00 20.00 H new ATOM 0 HG2 GLU A 46 48.643 27.730 24.267 1.00 20.00 H new ATOM 0 HG3 GLU A 46 48.807 26.129 23.574 1.00 20.00 H new ATOM 628 N CYS A 47 48.229 24.569 21.520 1.00 20.00 N ATOM 629 CA CYS A 47 48.702 23.195 21.669 1.00 20.00 C ATOM 630 C CYS A 47 48.982 22.832 23.147 1.00 20.00 C ATOM 631 O CYS A 47 49.761 21.917 23.415 1.00 20.00 O ATOM 632 CB CYS A 47 49.952 23.058 20.787 1.00 20.00 C ATOM 633 SG CYS A 47 50.478 21.380 20.336 1.00 20.00 S ATOM 0 H CYS A 47 48.997 25.213 21.330 1.00 20.00 H new ATOM 0 HA CYS A 47 47.935 22.490 21.350 1.00 20.00 H new ATOM 0 HB2 CYS A 47 49.777 23.615 19.866 1.00 20.00 H new ATOM 0 HB3 CYS A 47 50.781 23.544 21.301 1.00 20.00 H new ATOM 638 N ASN A 48 48.369 23.545 24.110 1.00 20.00 N ATOM 639 CA ASN A 48 48.497 23.295 25.548 1.00 20.00 C ATOM 640 C ASN A 48 48.038 21.866 25.905 1.00 20.00 C ATOM 641 O ASN A 48 47.136 21.337 25.255 1.00 20.00 O ATOM 642 CB ASN A 48 47.662 24.324 26.335 1.00 20.00 C ATOM 643 CG ASN A 48 48.187 25.761 26.396 1.00 20.00 C ATOM 644 OD1 ASN A 48 47.422 26.676 26.691 1.00 20.00 O ATOM 645 ND2 ASN A 48 49.476 25.991 26.165 1.00 20.00 N ATOM 0 H ASN A 48 47.755 24.332 23.898 1.00 20.00 H new ATOM 0 HA ASN A 48 49.548 23.395 25.820 1.00 20.00 H new ATOM 0 HB2 ASN A 48 46.663 24.349 25.901 1.00 20.00 H new ATOM 0 HB3 ASN A 48 47.556 23.961 27.357 1.00 20.00 H new ATOM 0 HD21 ASN A 48 49.845 26.940 26.232 1.00 20.00 H new ATOM 0 HD22 ASN A 48 50.096 25.219 25.921 1.00 20.00 H new ATOM 652 N PRO A 49 48.629 21.244 26.944 1.00 20.00 N ATOM 653 CA PRO A 49 48.509 19.814 27.223 1.00 20.00 C ATOM 654 C PRO A 49 47.110 19.399 27.694 1.00 20.00 C ATOM 655 O PRO A 49 46.305 20.236 28.104 1.00 20.00 O ATOM 656 CB PRO A 49 49.569 19.531 28.295 1.00 20.00 C ATOM 657 CG PRO A 49 49.694 20.864 29.030 1.00 20.00 C ATOM 658 CD PRO A 49 49.530 21.872 27.897 1.00 20.00 C ATOM 0 HA PRO A 49 48.664 19.231 26.315 1.00 20.00 H new ATOM 0 HB2 PRO A 49 49.258 18.730 28.966 1.00 20.00 H new ATOM 0 HB3 PRO A 49 50.517 19.226 27.852 1.00 20.00 H new ATOM 0 HG2 PRO A 49 48.926 20.981 29.794 1.00 20.00 H new ATOM 0 HG3 PRO A 49 50.658 20.965 29.529 1.00 20.00 H new ATOM 0 HD2 PRO A 49 49.119 22.812 28.265 1.00 20.00 H new ATOM 0 HD3 PRO A 49 50.490 22.103 27.436 1.00 20.00 H new ATOM 666 N LEU A 50 46.854 18.082 27.687 1.00 20.00 N ATOM 667 CA LEU A 50 45.636 17.473 28.228 1.00 20.00 C ATOM 668 C LEU A 50 45.457 17.744 29.734 1.00 20.00 C ATOM 669 O LEU A 50 44.327 17.717 30.221 1.00 20.00 O ATOM 670 CB LEU A 50 45.672 15.952 27.994 1.00 20.00 C ATOM 671 CG LEU A 50 45.472 15.505 26.531 1.00 20.00 C ATOM 672 CD1 LEU A 50 45.863 14.028 26.401 1.00 20.00 C ATOM 673 CD2 LEU A 50 44.019 15.690 26.079 1.00 20.00 C ATOM 0 H LEU A 50 47.503 17.399 27.296 1.00 20.00 H new ATOM 0 HA LEU A 50 44.793 17.926 27.707 1.00 20.00 H new ATOM 0 HB2 LEU A 50 46.630 15.570 28.346 1.00 20.00 H new ATOM 0 HB3 LEU A 50 44.899 15.488 28.607 1.00 20.00 H new ATOM 0 HG LEU A 50 46.103 16.124 25.894 1.00 20.00 H new ATOM 0 HD11 LEU A 50 45.724 13.704 25.369 1.00 20.00 H new ATOM 0 HD12 LEU A 50 46.908 13.902 26.683 1.00 20.00 H new ATOM 0 HD13 LEU A 50 45.235 13.426 27.058 1.00 20.00 H new ATOM 0 HD21 LEU A 50 43.916 15.365 25.044 1.00 20.00 H new ATOM 0 HD22 LEU A 50 43.362 15.095 26.713 1.00 20.00 H new ATOM 0 HD23 LEU A 50 43.745 16.742 26.158 1.00 20.00 H new ATOM 685 N ASP A 51 46.552 18.023 30.460 1.00 20.00 N ATOM 686 CA ASP A 51 46.558 18.362 31.883 1.00 20.00 C ATOM 687 C ASP A 51 45.997 19.764 32.171 1.00 20.00 C ATOM 688 O ASP A 51 45.718 20.075 33.330 1.00 20.00 O ATOM 689 CB ASP A 51 47.996 18.271 32.418 1.00 20.00 C ATOM 690 CG ASP A 51 48.594 16.877 32.231 1.00 20.00 C ATOM 691 OD1 ASP A 51 48.220 15.975 33.014 1.00 20.00 O ATOM 692 OD2 ASP A 51 49.411 16.724 31.298 1.00 20.00 O ATOM 0 H ASP A 51 47.487 18.017 30.053 1.00 20.00 H new ATOM 0 HA ASP A 51 45.906 17.648 32.386 1.00 20.00 H new ATOM 0 HB2 ASP A 51 48.620 19.004 31.906 1.00 20.00 H new ATOM 0 HB3 ASP A 51 48.005 18.529 33.477 1.00 20.00 H new ATOM 697 N ARG A 52 45.825 20.605 31.139 1.00 20.00 N ATOM 698 CA ARG A 52 45.247 21.940 31.248 1.00 20.00 C ATOM 699 C ARG A 52 43.713 21.851 31.341 1.00 20.00 C ATOM 700 O ARG A 52 43.112 20.902 30.834 1.00 20.00 O ATOM 701 CB ARG A 52 45.712 22.780 30.039 1.00 20.00 C ATOM 702 CG ARG A 52 45.952 24.255 30.387 1.00 20.00 C ATOM 703 CD ARG A 52 47.274 24.445 31.146 1.00 20.00 C ATOM 704 NE ARG A 52 47.451 25.839 31.577 1.00 20.00 N ATOM 705 CZ ARG A 52 46.980 26.378 32.711 1.00 20.00 C ATOM 706 NH1 ARG A 52 46.306 25.654 33.606 1.00 20.00 N ATOM 707 NH2 ARG A 52 47.180 27.670 32.962 1.00 20.00 N ATOM 0 H ARG A 52 46.093 20.363 30.185 1.00 20.00 H new ATOM 0 HA ARG A 52 45.589 22.430 32.160 1.00 20.00 H new ATOM 0 HB2 ARG A 52 46.632 22.353 29.640 1.00 20.00 H new ATOM 0 HB3 ARG A 52 44.962 22.716 29.250 1.00 20.00 H new ATOM 0 HG2 ARG A 52 45.967 24.848 29.473 1.00 20.00 H new ATOM 0 HG3 ARG A 52 45.126 24.626 30.994 1.00 20.00 H new ATOM 0 HD2 ARG A 52 47.293 23.789 32.016 1.00 20.00 H new ATOM 0 HD3 ARG A 52 48.107 24.152 30.507 1.00 20.00 H new ATOM 0 HE ARG A 52 47.980 26.452 30.957 1.00 20.00 H new ATOM 0 HH11 ARG A 52 46.137 24.662 33.437 1.00 20.00 H new ATOM 0 HH12 ARG A 52 45.960 26.092 34.460 1.00 20.00 H new ATOM 0 HH21 ARG A 52 47.690 28.247 32.293 1.00 20.00 H new ATOM 0 HH22 ARG A 52 46.823 28.083 33.824 1.00 20.00 H new ATOM 721 N GLN A 53 43.080 22.853 31.970 1.00 20.00 N ATOM 722 CA GLN A 53 41.629 22.935 32.150 1.00 20.00 C ATOM 723 C GLN A 53 41.047 23.933 31.147 1.00 20.00 C ATOM 724 O GLN A 53 41.146 25.147 31.332 1.00 20.00 O ATOM 725 CB GLN A 53 41.261 23.321 33.592 1.00 20.00 C ATOM 726 CG GLN A 53 41.306 22.150 34.588 1.00 20.00 C ATOM 727 CD GLN A 53 42.710 21.585 34.810 1.00 20.00 C ATOM 728 OE1 GLN A 53 43.600 22.283 35.288 1.00 20.00 O ATOM 729 NE2 GLN A 53 42.919 20.315 34.474 1.00 20.00 N ATOM 0 H GLN A 53 43.578 23.645 32.376 1.00 20.00 H new ATOM 0 HA GLN A 53 41.198 21.951 31.965 1.00 20.00 H new ATOM 0 HB2 GLN A 53 41.943 24.100 33.933 1.00 20.00 H new ATOM 0 HB3 GLN A 53 40.259 23.750 33.597 1.00 20.00 H new ATOM 0 HG2 GLN A 53 40.902 22.482 35.544 1.00 20.00 H new ATOM 0 HG3 GLN A 53 40.656 21.353 34.227 1.00 20.00 H new ATOM 0 HE21 GLN A 53 42.160 19.760 34.079 1.00 20.00 H new ATOM 0 HE22 GLN A 53 43.839 19.896 34.611 1.00 20.00 H new ATOM 738 N CYS A 54 40.458 23.394 30.073 1.00 20.00 N ATOM 739 CA CYS A 54 39.869 24.127 28.952 1.00 20.00 C ATOM 740 C CYS A 54 39.063 23.185 28.036 1.00 20.00 C ATOM 741 O CYS A 54 39.222 21.965 28.085 1.00 20.00 O ATOM 742 CB CYS A 54 40.974 24.884 28.186 1.00 20.00 C ATOM 743 SG CYS A 54 42.582 24.052 28.054 1.00 20.00 S ATOM 0 H CYS A 54 40.376 22.384 29.959 1.00 20.00 H new ATOM 0 HA CYS A 54 39.163 24.863 29.336 1.00 20.00 H new ATOM 0 HB2 CYS A 54 40.612 25.089 27.178 1.00 20.00 H new ATOM 0 HB3 CYS A 54 41.127 25.848 28.672 1.00 20.00 H new ATOM 748 N LYS A 55 38.174 23.766 27.214 1.00 20.00 N ATOM 749 CA LYS A 55 37.207 23.072 26.359 1.00 20.00 C ATOM 750 C LYS A 55 37.861 22.575 25.059 1.00 20.00 C ATOM 751 O LYS A 55 38.180 23.380 24.184 1.00 20.00 O ATOM 752 CB LYS A 55 36.035 24.036 26.080 1.00 20.00 C ATOM 753 CG LYS A 55 34.945 23.462 25.153 1.00 20.00 C ATOM 754 CD LYS A 55 33.880 24.514 24.795 1.00 20.00 C ATOM 755 CE LYS A 55 32.902 24.822 25.935 1.00 20.00 C ATOM 756 NZ LYS A 55 31.837 23.807 26.034 1.00 20.00 N ATOM 0 H LYS A 55 38.110 24.780 27.126 1.00 20.00 H new ATOM 0 HA LYS A 55 36.834 22.183 26.867 1.00 20.00 H new ATOM 0 HB2 LYS A 55 35.577 24.316 27.029 1.00 20.00 H new ATOM 0 HB3 LYS A 55 36.430 24.949 25.635 1.00 20.00 H new ATOM 0 HG2 LYS A 55 35.406 23.088 24.239 1.00 20.00 H new ATOM 0 HG3 LYS A 55 34.466 22.612 25.639 1.00 20.00 H new ATOM 0 HD2 LYS A 55 34.380 25.436 24.499 1.00 20.00 H new ATOM 0 HD3 LYS A 55 33.316 24.166 23.930 1.00 20.00 H new ATOM 0 HE2 LYS A 55 33.447 24.870 26.878 1.00 20.00 H new ATOM 0 HE3 LYS A 55 32.455 25.803 25.775 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 31.197 24.051 26.816 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 31.301 23.779 25.143 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 32.262 22.875 26.212 1.00 20.00 H new ATOM 770 N GLU A 56 38.018 21.250 24.916 1.00 20.00 N ATOM 771 CA GLU A 56 38.401 20.613 23.652 1.00 20.00 C ATOM 772 C GLU A 56 37.182 20.487 22.718 1.00 20.00 C ATOM 773 O GLU A 56 36.052 20.339 23.186 1.00 20.00 O ATOM 774 CB GLU A 56 39.004 19.224 23.926 1.00 20.00 C ATOM 775 CG GLU A 56 39.887 18.745 22.761 1.00 20.00 C ATOM 776 CD GLU A 56 40.236 17.266 22.887 1.00 20.00 C ATOM 777 OE1 GLU A 56 39.448 16.450 22.358 1.00 20.00 O ATOM 778 OE2 GLU A 56 41.271 16.957 23.515 1.00 20.00 O ATOM 0 H GLU A 56 37.881 20.589 25.680 1.00 20.00 H new ATOM 0 HA GLU A 56 39.149 21.236 23.161 1.00 20.00 H new ATOM 0 HB2 GLU A 56 39.596 19.259 24.841 1.00 20.00 H new ATOM 0 HB3 GLU A 56 38.201 18.506 24.093 1.00 20.00 H new ATOM 0 HG2 GLU A 56 39.369 18.917 21.817 1.00 20.00 H new ATOM 0 HG3 GLU A 56 40.804 19.334 22.734 1.00 20.00 H new ATOM 785 N LEU A 57 37.424 20.496 21.398 1.00 20.00 N ATOM 786 CA LEU A 57 36.432 20.292 20.343 1.00 20.00 C ATOM 787 C LEU A 57 36.921 19.428 19.162 1.00 20.00 C ATOM 788 O LEU A 57 36.285 19.413 18.109 1.00 20.00 O ATOM 789 CB LEU A 57 35.893 21.659 19.908 1.00 20.00 C ATOM 790 CG LEU A 57 36.963 22.598 19.311 1.00 20.00 C ATOM 791 CD1 LEU A 57 36.464 23.237 18.012 1.00 20.00 C ATOM 792 CD2 LEU A 57 37.310 23.713 20.294 1.00 20.00 C ATOM 0 H LEU A 57 38.360 20.653 21.025 1.00 20.00 H new ATOM 0 HA LEU A 57 35.619 19.696 20.757 1.00 20.00 H new ATOM 0 HB2 LEU A 57 35.105 21.509 19.170 1.00 20.00 H new ATOM 0 HB3 LEU A 57 35.436 22.148 20.768 1.00 20.00 H new ATOM 0 HG LEU A 57 37.848 21.995 19.107 1.00 20.00 H new ATOM 0 HD11 LEU A 57 37.235 23.894 17.610 1.00 20.00 H new ATOM 0 HD12 LEU A 57 36.238 22.456 17.286 1.00 20.00 H new ATOM 0 HD13 LEU A 57 35.563 23.816 18.214 1.00 20.00 H new ATOM 0 HD21 LEU A 57 38.066 24.364 19.854 1.00 20.00 H new ATOM 0 HD22 LEU A 57 36.415 24.294 20.515 1.00 20.00 H new ATOM 0 HD23 LEU A 57 37.697 23.278 21.215 1.00 20.00 H new ATOM 804 N GLN A 58 38.023 18.693 19.366 1.00 20.00 N ATOM 805 CA GLN A 58 38.627 17.636 18.540 1.00 20.00 C ATOM 806 C GLN A 58 38.885 17.968 17.061 1.00 20.00 C ATOM 807 O GLN A 58 39.007 17.074 16.224 1.00 20.00 O ATOM 808 CB GLN A 58 37.888 16.307 18.743 1.00 20.00 C ATOM 809 CG GLN A 58 36.471 16.224 18.142 1.00 20.00 C ATOM 810 CD GLN A 58 35.853 14.823 18.224 1.00 20.00 C ATOM 811 OE1 GLN A 58 36.537 13.828 18.450 1.00 20.00 O ATOM 812 NE2 GLN A 58 34.540 14.734 18.027 1.00 20.00 N ATOM 0 H GLN A 58 38.576 18.841 20.210 1.00 20.00 H new ATOM 0 HA GLN A 58 39.645 17.540 18.917 1.00 20.00 H new ATOM 0 HB2 GLN A 58 38.492 15.509 18.311 1.00 20.00 H new ATOM 0 HB3 GLN A 58 37.819 16.112 19.813 1.00 20.00 H new ATOM 0 HG2 GLN A 58 35.823 16.929 18.662 1.00 20.00 H new ATOM 0 HG3 GLN A 58 36.509 16.535 17.098 1.00 20.00 H new ATOM 0 HE21 GLN A 58 33.994 15.575 17.841 1.00 20.00 H new ATOM 0 HE22 GLN A 58 34.080 13.825 18.062 1.00 20.00 H new ATOM 821 N ALA A 59 38.963 19.261 16.753 1.00 20.00 N ATOM 822 CA ALA A 59 38.949 19.806 15.403 1.00 20.00 C ATOM 823 C ALA A 59 40.123 20.770 15.204 1.00 20.00 C ATOM 824 O ALA A 59 41.088 20.427 14.523 1.00 20.00 O ATOM 825 CB ALA A 59 37.586 20.464 15.186 1.00 20.00 C ATOM 0 H ALA A 59 39.041 19.984 17.468 1.00 20.00 H new ATOM 0 HA ALA A 59 39.081 19.024 14.655 1.00 20.00 H new ATOM 0 HB1 ALA A 59 37.541 20.884 14.181 1.00 20.00 H new ATOM 0 HB2 ALA A 59 36.799 19.719 15.303 1.00 20.00 H new ATOM 0 HB3 ALA A 59 37.445 21.259 15.918 1.00 20.00 H new ATOM 831 N GLU A 60 40.055 21.954 15.827 1.00 20.00 N ATOM 832 CA GLU A 60 41.125 22.954 15.847 1.00 20.00 C ATOM 833 C GLU A 60 42.373 22.418 16.560 1.00 20.00 C ATOM 834 O GLU A 60 43.497 22.694 16.143 1.00 20.00 O ATOM 835 CB GLU A 60 40.604 24.208 16.554 1.00 20.00 C ATOM 836 CG GLU A 60 39.567 24.943 15.693 1.00 20.00 C ATOM 837 CD GLU A 60 40.202 26.011 14.800 1.00 20.00 C ATOM 838 OE1 GLU A 60 39.904 27.204 15.029 1.00 20.00 O ATOM 839 OE2 GLU A 60 40.979 25.632 13.895 1.00 20.00 O ATOM 0 H GLU A 60 39.228 22.249 16.346 1.00 20.00 H new ATOM 0 HA GLU A 60 41.413 23.193 14.823 1.00 20.00 H new ATOM 0 HB2 GLU A 60 40.157 23.931 17.508 1.00 20.00 H new ATOM 0 HB3 GLU A 60 41.436 24.876 16.774 1.00 20.00 H new ATOM 0 HG2 GLU A 60 39.038 24.221 15.071 1.00 20.00 H new ATOM 0 HG3 GLU A 60 38.825 25.409 16.341 1.00 20.00 H new ATOM 846 N SER A 61 42.152 21.628 17.619 1.00 20.00 N ATOM 847 CA SER A 61 43.169 20.977 18.433 1.00 20.00 C ATOM 848 C SER A 61 43.916 19.856 17.696 1.00 20.00 C ATOM 849 O SER A 61 45.096 19.633 17.970 1.00 20.00 O ATOM 850 CB SER A 61 42.465 20.404 19.662 1.00 20.00 C ATOM 851 OG SER A 61 43.410 19.832 20.534 1.00 20.00 O ATOM 0 H SER A 61 41.207 21.419 17.942 1.00 20.00 H new ATOM 0 HA SER A 61 43.925 21.717 18.697 1.00 20.00 H new ATOM 0 HB2 SER A 61 41.914 21.191 20.176 1.00 20.00 H new ATOM 0 HB3 SER A 61 41.737 19.652 19.357 1.00 20.00 H new ATOM 0 HG SER A 61 43.056 18.992 20.894 1.00 20.00 H new ATOM 857 N ALA A 62 43.236 19.156 16.774 1.00 20.00 N ATOM 858 CA ALA A 62 43.728 17.955 16.102 1.00 20.00 C ATOM 859 C ALA A 62 44.932 18.196 15.172 1.00 20.00 C ATOM 860 O ALA A 62 45.525 17.228 14.696 1.00 20.00 O ATOM 861 CB ALA A 62 42.566 17.321 15.333 1.00 20.00 C ATOM 0 H ALA A 62 42.300 19.423 16.470 1.00 20.00 H new ATOM 0 HA ALA A 62 44.103 17.282 16.873 1.00 20.00 H new ATOM 0 HB1 ALA A 62 42.914 16.422 14.824 1.00 20.00 H new ATOM 0 HB2 ALA A 62 41.769 17.059 16.029 1.00 20.00 H new ATOM 0 HB3 ALA A 62 42.186 18.030 14.598 1.00 20.00 H new ATOM 867 N SER A 63 45.322 19.460 14.947 1.00 20.00 N ATOM 868 CA SER A 63 46.541 19.854 14.240 1.00 20.00 C ATOM 869 C SER A 63 47.802 19.313 14.930 1.00 20.00 C ATOM 870 O SER A 63 48.698 18.812 14.250 1.00 20.00 O ATOM 871 CB SER A 63 46.611 21.383 14.160 1.00 20.00 C ATOM 872 OG SER A 63 45.494 21.914 13.476 1.00 20.00 O ATOM 0 H SER A 63 44.775 20.260 15.265 1.00 20.00 H new ATOM 0 HA SER A 63 46.503 19.426 13.238 1.00 20.00 H new ATOM 0 HB2 SER A 63 46.656 21.800 15.166 1.00 20.00 H new ATOM 0 HB3 SER A 63 47.527 21.681 13.650 1.00 20.00 H new ATOM 0 HG SER A 63 45.565 22.891 13.442 1.00 20.00 H new ATOM 878 N CYS A 64 47.858 19.385 16.270 1.00 20.00 N ATOM 879 CA CYS A 64 48.919 18.805 17.095 1.00 20.00 C ATOM 880 C CYS A 64 48.762 17.288 17.313 1.00 20.00 C ATOM 881 O CYS A 64 49.705 16.650 17.782 1.00 20.00 O ATOM 882 CB CYS A 64 48.943 19.533 18.443 1.00 20.00 C ATOM 883 SG CYS A 64 49.814 21.121 18.420 1.00 20.00 S ATOM 0 H CYS A 64 47.144 19.863 16.820 1.00 20.00 H new ATOM 0 HA CYS A 64 49.861 18.937 16.563 1.00 20.00 H new ATOM 0 HB2 CYS A 64 47.917 19.700 18.770 1.00 20.00 H new ATOM 0 HB3 CYS A 64 49.412 18.886 19.184 1.00 20.00 H new ATOM 888 N GLY A 65 47.606 16.708 16.957 1.00 20.00 N ATOM 889 CA GLY A 65 47.329 15.278 17.011 1.00 20.00 C ATOM 890 C GLY A 65 46.774 14.867 18.374 1.00 20.00 C ATOM 891 O GLY A 65 45.580 15.029 18.619 1.00 20.00 O ATOM 0 H GLY A 65 46.813 17.249 16.612 1.00 20.00 H new ATOM 0 HA2 GLY A 65 46.614 15.015 16.231 1.00 20.00 H new ATOM 0 HA3 GLY A 65 48.243 14.721 16.806 1.00 20.00 H new ATOM 895 N LYS A 66 47.644 14.332 19.243 1.00 20.00 N ATOM 896 CA LYS A 66 47.328 13.874 20.598 1.00 20.00 C ATOM 897 C LYS A 66 48.348 14.420 21.603 1.00 20.00 C ATOM 898 O LYS A 66 49.447 14.842 21.239 1.00 20.00 O ATOM 899 CB LYS A 66 47.285 12.331 20.656 1.00 20.00 C ATOM 900 CG LYS A 66 46.057 11.688 19.984 1.00 20.00 C ATOM 901 CD LYS A 66 46.220 11.332 18.499 1.00 20.00 C ATOM 902 CE LYS A 66 47.177 10.152 18.308 1.00 20.00 C ATOM 903 NZ LYS A 66 47.335 9.817 16.882 1.00 20.00 N ATOM 0 H LYS A 66 48.628 14.202 19.008 1.00 20.00 H new ATOM 0 HA LYS A 66 46.342 14.255 20.866 1.00 20.00 H new ATOM 0 HB2 LYS A 66 48.186 11.939 20.183 1.00 20.00 H new ATOM 0 HB3 LYS A 66 47.313 12.021 21.701 1.00 20.00 H new ATOM 0 HG2 LYS A 66 45.801 10.780 20.530 1.00 20.00 H new ATOM 0 HG3 LYS A 66 45.212 12.370 20.085 1.00 20.00 H new ATOM 0 HD2 LYS A 66 45.247 11.086 18.074 1.00 20.00 H new ATOM 0 HD3 LYS A 66 46.596 12.199 17.955 1.00 20.00 H new ATOM 0 HE2 LYS A 66 48.149 10.396 18.736 1.00 20.00 H new ATOM 0 HE3 LYS A 66 46.800 9.284 18.848 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 47.989 9.014 16.784 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 46.410 9.561 16.481 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 47.718 10.639 16.373 1.00 20.00 H new ATOM 917 N GLY A 67 47.957 14.397 22.883 1.00 20.00 N ATOM 918 CA GLY A 67 48.719 14.945 24.000 1.00 20.00 C ATOM 919 C GLY A 67 48.338 16.389 24.354 1.00 20.00 C ATOM 920 O GLY A 67 48.777 16.873 25.396 1.00 20.00 O ATOM 0 H GLY A 67 47.072 13.982 23.174 1.00 20.00 H new ATOM 0 HA2 GLY A 67 48.569 14.313 24.876 1.00 20.00 H new ATOM 0 HA3 GLY A 67 49.781 14.907 23.758 1.00 20.00 H new ATOM 924 N GLN A 68 47.503 17.048 23.531 1.00 20.00 N ATOM 925 CA GLN A 68 47.015 18.413 23.720 1.00 20.00 C ATOM 926 C GLN A 68 45.478 18.486 23.732 1.00 20.00 C ATOM 927 O GLN A 68 44.794 17.486 23.517 1.00 20.00 O ATOM 928 CB GLN A 68 47.633 19.328 22.642 1.00 20.00 C ATOM 929 CG GLN A 68 46.877 19.373 21.309 1.00 20.00 C ATOM 930 CD GLN A 68 46.774 18.009 20.620 1.00 20.00 C ATOM 931 OE1 GLN A 68 47.775 17.328 20.423 1.00 20.00 O ATOM 932 NE2 GLN A 68 45.566 17.591 20.251 1.00 20.00 N ATOM 0 H GLN A 68 47.138 16.619 22.681 1.00 20.00 H new ATOM 0 HA GLN A 68 47.332 18.764 24.702 1.00 20.00 H new ATOM 0 HB2 GLN A 68 47.695 20.341 23.040 1.00 20.00 H new ATOM 0 HB3 GLN A 68 48.654 18.998 22.451 1.00 20.00 H new ATOM 0 HG2 GLN A 68 45.873 19.761 21.482 1.00 20.00 H new ATOM 0 HG3 GLN A 68 47.378 20.073 20.640 1.00 20.00 H new ATOM 0 HE21 GLN A 68 44.749 18.176 20.426 1.00 20.00 H new ATOM 0 HE22 GLN A 68 45.457 16.686 19.793 1.00 20.00 H new ATOM 941 N LYS A 69 44.951 19.702 23.930 1.00 20.00 N ATOM 942 CA LYS A 69 43.549 20.079 23.731 1.00 20.00 C ATOM 943 C LYS A 69 43.446 21.531 23.234 1.00 20.00 C ATOM 944 O LYS A 69 44.395 22.299 23.393 1.00 20.00 O ATOM 945 CB LYS A 69 42.745 19.869 25.026 1.00 20.00 C ATOM 946 CG LYS A 69 43.324 20.592 26.256 1.00 20.00 C ATOM 947 CD LYS A 69 42.366 20.538 27.450 1.00 20.00 C ATOM 948 CE LYS A 69 42.200 19.119 27.999 1.00 20.00 C ATOM 949 NZ LYS A 69 41.204 19.072 29.083 1.00 20.00 N ATOM 0 H LYS A 69 45.520 20.486 24.249 1.00 20.00 H new ATOM 0 HA LYS A 69 43.119 19.434 22.964 1.00 20.00 H new ATOM 0 HB2 LYS A 69 41.723 20.212 24.865 1.00 20.00 H new ATOM 0 HB3 LYS A 69 42.693 18.801 25.238 1.00 20.00 H new ATOM 0 HG2 LYS A 69 44.275 20.136 26.532 1.00 20.00 H new ATOM 0 HG3 LYS A 69 43.531 21.632 26.003 1.00 20.00 H new ATOM 0 HD2 LYS A 69 42.738 21.190 28.241 1.00 20.00 H new ATOM 0 HD3 LYS A 69 41.392 20.925 27.149 1.00 20.00 H new ATOM 0 HE2 LYS A 69 41.895 18.450 27.194 1.00 20.00 H new ATOM 0 HE3 LYS A 69 43.159 18.756 28.369 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 41.067 18.087 29.386 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 41.540 19.638 29.888 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 40.301 19.458 28.742 1.00 20.00 H new ATOM 963 N CYS A 70 42.285 21.921 22.672 1.00 20.00 N ATOM 964 CA CYS A 70 41.966 23.324 22.394 1.00 20.00 C ATOM 965 C CYS A 70 41.951 24.071 23.727 1.00 20.00 C ATOM 966 O CYS A 70 41.216 23.693 24.643 1.00 20.00 O ATOM 967 CB CYS A 70 40.614 23.500 21.677 1.00 20.00 C ATOM 968 SG CYS A 70 40.074 25.243 21.577 1.00 20.00 S ATOM 0 H CYS A 70 41.548 21.270 22.401 1.00 20.00 H new ATOM 0 HA CYS A 70 42.723 23.724 21.720 1.00 20.00 H new ATOM 0 HB2 CYS A 70 40.688 23.091 20.669 1.00 20.00 H new ATOM 0 HB3 CYS A 70 39.854 22.920 22.201 1.00 20.00 H new ATOM 973 N CYS A 71 42.775 25.120 23.823 1.00 20.00 N ATOM 974 CA CYS A 71 42.930 25.902 25.035 1.00 20.00 C ATOM 975 C CYS A 71 43.039 27.384 24.686 1.00 20.00 C ATOM 976 O CYS A 71 44.057 27.839 24.166 1.00 20.00 O ATOM 977 CB CYS A 71 44.128 25.385 25.829 1.00 20.00 C ATOM 978 SG CYS A 71 43.924 25.527 27.618 1.00 20.00 S ATOM 0 H CYS A 71 43.354 25.446 23.049 1.00 20.00 H new ATOM 0 HA CYS A 71 42.053 25.793 25.673 1.00 20.00 H new ATOM 0 HB2 CYS A 71 44.299 24.339 25.573 1.00 20.00 H new ATOM 0 HB3 CYS A 71 45.018 25.937 25.528 1.00 20.00 H new ATOM 983 N VAL A 72 41.956 28.117 24.955 1.00 20.00 N ATOM 984 CA VAL A 72 41.834 29.546 24.710 1.00 20.00 C ATOM 985 C VAL A 72 40.975 30.178 25.810 1.00 20.00 C ATOM 986 O VAL A 72 40.052 29.550 26.334 1.00 20.00 O ATOM 987 CB VAL A 72 41.291 29.780 23.284 1.00 20.00 C ATOM 988 CG1 VAL A 72 39.916 29.149 23.044 1.00 20.00 C ATOM 989 CG2 VAL A 72 41.233 31.271 22.915 1.00 20.00 C ATOM 0 H VAL A 72 41.113 27.713 25.364 1.00 20.00 H new ATOM 0 HA VAL A 72 42.806 30.037 24.754 1.00 20.00 H new ATOM 0 HB VAL A 72 42.010 29.279 22.635 1.00 20.00 H new ATOM 0 HG11 VAL A 72 39.596 29.353 22.022 1.00 20.00 H new ATOM 0 HG12 VAL A 72 39.978 28.072 23.197 1.00 20.00 H new ATOM 0 HG13 VAL A 72 39.194 29.573 23.742 1.00 20.00 H new ATOM 0 HG21 VAL A 72 40.844 31.380 21.903 1.00 20.00 H new ATOM 0 HG22 VAL A 72 40.579 31.793 23.613 1.00 20.00 H new ATOM 0 HG23 VAL A 72 42.235 31.698 22.967 1.00 20.00 H new ATOM 999 N TRP A 73 41.302 31.431 26.148 1.00 20.00 N ATOM 1000 CA TRP A 73 40.696 32.196 27.231 1.00 20.00 C ATOM 1001 C TRP A 73 39.879 33.371 26.679 1.00 20.00 C ATOM 1002 O TRP A 73 39.838 33.610 25.470 1.00 20.00 O ATOM 1003 CB TRP A 73 41.804 32.664 28.190 1.00 20.00 C ATOM 1004 CG TRP A 73 42.770 31.609 28.640 1.00 20.00 C ATOM 1005 CD1 TRP A 73 42.445 30.410 29.173 1.00 20.00 C ATOM 1006 CD2 TRP A 73 44.229 31.632 28.577 1.00 20.00 C ATOM 1007 NE1 TRP A 73 43.593 29.688 29.430 1.00 20.00 N ATOM 1008 CE2 TRP A 73 44.724 30.392 29.076 1.00 20.00 C ATOM 1009 CE3 TRP A 73 45.181 32.578 28.143 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 46.096 30.100 29.136 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 46.561 32.296 28.189 1.00 20.00 C ATOM 1012 CH2 TRP A 73 47.018 31.061 28.684 1.00 20.00 C ATOM 0 H TRP A 73 42.024 31.955 25.653 1.00 20.00 H new ATOM 0 HA TRP A 73 39.999 31.566 27.784 1.00 20.00 H new ATOM 0 HB2 TRP A 73 42.367 33.460 27.703 1.00 20.00 H new ATOM 0 HB3 TRP A 73 41.334 33.099 29.072 1.00 20.00 H new ATOM 0 HD1 TRP A 73 41.439 30.069 29.368 1.00 20.00 H new ATOM 0 HE1 TRP A 73 43.603 28.751 29.832 1.00 20.00 H new ATOM 0 HE3 TRP A 73 44.847 33.535 27.769 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 46.438 29.152 29.523 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 47.271 33.032 27.842 1.00 20.00 H new ATOM 0 HH2 TRP A 73 48.077 30.851 28.717 1.00 20.00 H new ATOM 1023 N LEU A 74 39.229 34.109 27.588 1.00 20.00 N ATOM 1024 CA LEU A 74 38.452 35.306 27.278 1.00 20.00 C ATOM 1025 C LEU A 74 39.378 36.535 27.150 1.00 20.00 C ATOM 1026 O LEU A 74 40.601 36.400 27.090 1.00 20.00 O ATOM 1027 CB LEU A 74 37.348 35.481 28.346 1.00 20.00 C ATOM 1028 CG LEU A 74 36.010 36.006 27.782 1.00 20.00 C ATOM 1029 CD1 LEU A 74 35.281 34.946 26.940 1.00 20.00 C ATOM 1030 CD2 LEU A 74 35.095 36.436 28.937 1.00 20.00 C ATOM 0 H LEU A 74 39.232 33.881 28.582 1.00 20.00 H new ATOM 0 HA LEU A 74 37.960 35.201 26.311 1.00 20.00 H new ATOM 0 HB2 LEU A 74 37.174 34.522 28.835 1.00 20.00 H new ATOM 0 HB3 LEU A 74 37.703 36.170 29.112 1.00 20.00 H new ATOM 0 HG LEU A 74 36.240 36.854 27.137 1.00 20.00 H new ATOM 0 HD11 LEU A 74 34.345 35.360 26.564 1.00 20.00 H new ATOM 0 HD12 LEU A 74 35.911 34.652 26.100 1.00 20.00 H new ATOM 0 HD13 LEU A 74 35.069 34.073 27.558 1.00 20.00 H new ATOM 0 HD21 LEU A 74 34.152 36.806 28.535 1.00 20.00 H new ATOM 0 HD22 LEU A 74 34.903 35.582 29.586 1.00 20.00 H new ATOM 0 HD23 LEU A 74 35.580 37.226 29.511 1.00 20.00 H new ATOM 1042 N HIS A 75 38.785 37.735 27.076 1.00 20.00 N ATOM 1043 CA HIS A 75 39.463 39.024 26.948 1.00 20.00 C ATOM 1044 C HIS A 75 40.495 39.296 28.054 1.00 20.00 C ATOM 1045 O HIS A 75 41.474 40.011 27.745 1.00 20.00 O ATOM 1046 CB HIS A 75 38.418 40.148 26.850 1.00 20.00 C ATOM 1047 CG HIS A 75 37.698 40.528 28.129 1.00 20.00 C ATOM 1048 ND1 HIS A 75 37.313 41.811 28.466 1.00 20.00 N ATOM 1049 CD2 HIS A 75 37.287 39.691 29.132 1.00 20.00 C ATOM 1050 CE1 HIS A 75 36.688 41.754 29.657 1.00 20.00 C ATOM 1051 NE2 HIS A 75 36.663 40.478 30.080 1.00 20.00 N ATOM 1052 OXT HIS A 75 40.301 38.812 29.192 1.00 20.00 O ATOM 0 H HIS A 75 37.770 37.833 27.106 1.00 20.00 H new ATOM 0 HA HIS A 75 40.047 38.992 26.028 1.00 20.00 H new ATOM 0 HB2 HIS A 75 38.913 41.038 26.462 1.00 20.00 H new ATOM 0 HB3 HIS A 75 37.670 39.853 26.114 1.00 20.00 H new ATOM 0 HD2 HIS A 75 37.424 38.621 29.174 1.00 20.00 H new ATOM 0 HE1 HIS A 75 36.273 42.598 30.188 1.00 20.00 H new ATOM 0 HE2 HIS A 75 36.253 40.147 30.953 1.00 20.00 H new TER 1061 HIS A 75