USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 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 Single : A 1 MET CE :methyl -146:sc= -0.216 (180deg=-0.918) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 153:sc= -1.46! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= -6.27! (180deg=-6.27!) USER MOD Single : A 16 LYS NZ :NH3+ -120:sc= 1.31 (180deg=-0.353) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.086 (180deg=-0.452) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= -1.45 (180deg=-3.61!) USER MOD Single : A 28 ASN : amide:sc= -1.74 K(o=-1.7,f=-7.7!) USER MOD Single : A 29 THR OG1 : rot 73:sc= 0.516 USER MOD Single : A 31 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00104 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= -2.3! (180deg=-3.54!) USER MOD Single : A 52 HIS : no HD1:sc= 0.641 K(o=0.64,f=-2.6!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -1.17 K(o=-1.2,f=-0.0025) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.0837 X(o=-0.084,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.336 -14.831 0.366 1.00 74.44 N ATOM 2 CA MET A 1 9.194 -13.894 0.289 1.00 74.11 C ATOM 3 C MET A 1 9.620 -12.514 0.768 1.00 33.41 C ATOM 4 O MET A 1 9.733 -12.266 1.969 1.00 55.14 O ATOM 5 CB MET A 1 8.028 -14.409 1.137 1.00 31.44 C ATOM 6 CG MET A 1 6.782 -13.540 1.065 1.00 60.31 C ATOM 7 SD MET A 1 5.436 -14.181 2.081 1.00 13.40 S ATOM 8 CE MET A 1 5.219 -15.807 1.360 1.00 0.13 C ATOM 0 H1 MET A 1 10.037 -15.771 0.037 1.00 74.44 H new ATOM 0 H2 MET A 1 11.111 -14.484 -0.235 1.00 74.44 H new ATOM 0 H3 MET A 1 10.665 -14.897 1.350 1.00 74.44 H new ATOM 0 HA MET A 1 8.867 -13.823 -0.748 1.00 74.11 H new ATOM 0 HB2 MET A 1 7.774 -15.418 0.813 1.00 31.44 H new ATOM 0 HB3 MET A 1 8.350 -14.479 2.176 1.00 31.44 H new ATOM 0 HG2 MET A 1 7.028 -12.529 1.389 1.00 60.31 H new ATOM 0 HG3 MET A 1 6.450 -13.471 0.029 1.00 60.31 H new ATOM 0 HE1 MET A 1 4.165 -16.083 1.396 1.00 0.13 H new ATOM 0 HE2 MET A 1 5.555 -15.793 0.323 1.00 0.13 H new ATOM 0 HE3 MET A 1 5.804 -16.535 1.922 1.00 0.13 H new ATOM 20 N GLY A 2 9.866 -11.621 -0.177 1.00 44.43 N ATOM 21 CA GLY A 2 10.364 -10.306 0.160 1.00 1.44 C ATOM 22 C GLY A 2 9.259 -9.290 0.329 1.00 53.32 C ATOM 23 O GLY A 2 9.322 -8.448 1.225 1.00 42.21 O ATOM 0 H GLY A 2 9.729 -11.785 -1.174 1.00 44.43 H new ATOM 0 HA2 GLY A 2 10.941 -10.366 1.083 1.00 1.44 H new ATOM 0 HA3 GLY A 2 11.046 -9.969 -0.621 1.00 1.44 H new ATOM 27 N GLU A 3 8.247 -9.375 -0.521 1.00 33.23 N ATOM 28 CA GLU A 3 7.152 -8.415 -0.504 1.00 63.21 C ATOM 29 C GLU A 3 5.854 -9.057 -0.975 1.00 20.54 C ATOM 30 O GLU A 3 5.853 -10.188 -1.472 1.00 54.23 O ATOM 31 CB GLU A 3 7.498 -7.208 -1.376 1.00 70.23 C ATOM 32 CG GLU A 3 8.020 -7.577 -2.753 1.00 22.25 C ATOM 33 CD GLU A 3 8.453 -6.365 -3.547 1.00 50.14 C ATOM 34 OE1 GLU A 3 9.377 -5.655 -3.099 1.00 74.51 O ATOM 35 OE2 GLU A 3 7.872 -6.112 -4.622 1.00 74.31 O ATOM 0 H GLU A 3 8.161 -10.100 -1.233 1.00 33.23 H new ATOM 0 HA GLU A 3 7.007 -8.079 0.523 1.00 63.21 H new ATOM 0 HB2 GLU A 3 6.610 -6.586 -1.489 1.00 70.23 H new ATOM 0 HB3 GLU A 3 8.247 -6.604 -0.864 1.00 70.23 H new ATOM 0 HG2 GLU A 3 8.863 -8.260 -2.648 1.00 22.25 H new ATOM 0 HG3 GLU A 3 7.244 -8.110 -3.302 1.00 22.25 H new ATOM 42 N LEU A 4 4.757 -8.331 -0.819 1.00 41.22 N ATOM 43 CA LEU A 4 3.433 -8.828 -1.174 1.00 14.34 C ATOM 44 C LEU A 4 3.056 -8.444 -2.604 1.00 4.52 C ATOM 45 O LEU A 4 3.907 -8.048 -3.403 1.00 13.51 O ATOM 46 CB LEU A 4 2.391 -8.269 -0.205 1.00 25.22 C ATOM 47 CG LEU A 4 2.557 -8.706 1.247 1.00 34.34 C ATOM 48 CD1 LEU A 4 1.552 -7.993 2.130 1.00 2.10 C ATOM 49 CD2 LEU A 4 2.389 -10.210 1.372 1.00 64.24 C ATOM 0 H LEU A 4 4.758 -7.383 -0.444 1.00 41.22 H new ATOM 0 HA LEU A 4 3.456 -9.916 -1.107 1.00 14.34 H new ATOM 0 HB2 LEU A 4 2.426 -7.180 -0.247 1.00 25.22 H new ATOM 0 HB3 LEU A 4 1.401 -8.570 -0.548 1.00 25.22 H new ATOM 0 HG LEU A 4 3.562 -8.440 1.574 1.00 34.34 H new ATOM 0 HD11 LEU A 4 1.683 -8.315 3.163 1.00 2.10 H new ATOM 0 HD12 LEU A 4 1.708 -6.916 2.063 1.00 2.10 H new ATOM 0 HD13 LEU A 4 0.542 -8.234 1.800 1.00 2.10 H new ATOM 0 HD21 LEU A 4 2.511 -10.504 2.414 1.00 64.24 H new ATOM 0 HD22 LEU A 4 1.395 -10.495 1.028 1.00 64.24 H new ATOM 0 HD23 LEU A 4 3.141 -10.712 0.763 1.00 64.24 H new ATOM 61 N SER A 5 1.772 -8.570 -2.918 1.00 44.14 N ATOM 62 CA SER A 5 1.269 -8.241 -4.241 1.00 12.40 C ATOM 63 C SER A 5 0.336 -7.033 -4.180 1.00 43.31 C ATOM 64 O SER A 5 -0.593 -6.999 -3.373 1.00 23.02 O ATOM 65 CB SER A 5 0.538 -9.447 -4.830 1.00 41.13 C ATOM 66 OG SER A 5 1.373 -10.595 -4.819 1.00 63.23 O ATOM 0 H SER A 5 1.058 -8.900 -2.268 1.00 44.14 H new ATOM 0 HA SER A 5 2.113 -7.986 -4.882 1.00 12.40 H new ATOM 0 HB2 SER A 5 -0.368 -9.645 -4.257 1.00 41.13 H new ATOM 0 HB3 SER A 5 0.227 -9.227 -5.851 1.00 41.13 H new ATOM 0 HG SER A 5 0.887 -11.357 -5.198 1.00 63.23 H new ATOM 72 N TRP A 6 0.592 -6.047 -5.025 1.00 61.50 N ATOM 73 CA TRP A 6 -0.225 -4.839 -5.070 1.00 23.31 C ATOM 74 C TRP A 6 -1.115 -4.847 -6.309 1.00 71.03 C ATOM 75 O TRP A 6 -0.670 -5.230 -7.391 1.00 4.21 O ATOM 76 CB TRP A 6 0.669 -3.594 -5.078 1.00 64.33 C ATOM 77 CG TRP A 6 1.263 -3.253 -3.740 1.00 25.42 C ATOM 78 CD1 TRP A 6 1.970 -4.078 -2.909 1.00 14.11 C ATOM 79 CD2 TRP A 6 1.210 -1.979 -3.090 1.00 25.01 C ATOM 80 NE1 TRP A 6 2.338 -3.397 -1.772 1.00 72.33 N ATOM 81 CE2 TRP A 6 1.887 -2.107 -1.863 1.00 22.34 C ATOM 82 CE3 TRP A 6 0.648 -0.739 -3.423 1.00 5.42 C ATOM 83 CZ2 TRP A 6 2.016 -1.045 -0.974 1.00 72.33 C ATOM 84 CZ3 TRP A 6 0.780 0.313 -2.539 1.00 33.25 C ATOM 85 CH2 TRP A 6 1.461 0.155 -1.328 1.00 40.40 C ATOM 0 H TRP A 6 1.363 -6.058 -5.693 1.00 61.50 H new ATOM 0 HA TRP A 6 -0.857 -4.815 -4.182 1.00 23.31 H new ATOM 0 HB2 TRP A 6 1.477 -3.745 -5.794 1.00 64.33 H new ATOM 0 HB3 TRP A 6 0.085 -2.744 -5.431 1.00 64.33 H new ATOM 0 HD1 TRP A 6 2.205 -5.112 -3.115 1.00 14.11 H new ATOM 0 HE1 TRP A 6 2.861 -3.789 -0.989 1.00 72.33 H new ATOM 0 HE3 TRP A 6 0.120 -0.609 -4.356 1.00 5.42 H new ATOM 0 HZ2 TRP A 6 2.537 -1.163 -0.035 1.00 72.33 H new ATOM 0 HZ3 TRP A 6 0.351 1.273 -2.786 1.00 33.25 H new ATOM 0 HH2 TRP A 6 1.551 0.997 -0.658 1.00 40.40 H new ATOM 96 N THR A 7 -2.367 -4.435 -6.151 1.00 62.51 N ATOM 97 CA THR A 7 -3.300 -4.402 -7.268 1.00 61.23 C ATOM 98 C THR A 7 -3.207 -3.081 -8.024 1.00 44.22 C ATOM 99 O THR A 7 -2.529 -2.147 -7.585 1.00 51.24 O ATOM 100 CB THR A 7 -4.751 -4.624 -6.800 1.00 42.41 C ATOM 101 OG1 THR A 7 -5.108 -3.662 -5.799 1.00 1.51 O ATOM 102 CG2 THR A 7 -4.930 -6.029 -6.249 1.00 71.15 C ATOM 0 H THR A 7 -2.758 -4.120 -5.263 1.00 62.51 H new ATOM 0 HA THR A 7 -3.021 -5.216 -7.937 1.00 61.23 H new ATOM 0 HB THR A 7 -5.406 -4.499 -7.662 1.00 42.41 H new ATOM 0 HG1 THR A 7 -6.075 -3.508 -5.824 1.00 1.51 H new ATOM 0 HG21 THR A 7 -5.962 -6.164 -5.924 1.00 71.15 H new ATOM 0 HG22 THR A 7 -4.696 -6.757 -7.026 1.00 71.15 H new ATOM 0 HG23 THR A 7 -4.261 -6.175 -5.401 1.00 71.15 H new ATOM 110 N ALA A 8 -3.905 -3.007 -9.154 1.00 71.21 N ATOM 111 CA ALA A 8 -3.868 -1.835 -10.023 1.00 13.42 C ATOM 112 C ALA A 8 -4.307 -0.570 -9.290 1.00 75.23 C ATOM 113 O ALA A 8 -3.725 0.502 -9.490 1.00 23.21 O ATOM 114 CB ALA A 8 -4.739 -2.064 -11.247 1.00 2.13 C ATOM 0 H ALA A 8 -4.510 -3.755 -9.492 1.00 71.21 H new ATOM 0 HA ALA A 8 -2.835 -1.689 -10.338 1.00 13.42 H new ATOM 0 HB1 ALA A 8 -4.704 -1.183 -11.888 1.00 2.13 H new ATOM 0 HB2 ALA A 8 -4.371 -2.929 -11.798 1.00 2.13 H new ATOM 0 HB3 ALA A 8 -5.767 -2.244 -10.933 1.00 2.13 H new ATOM 120 N GLU A 9 -5.325 -0.697 -8.442 1.00 14.53 N ATOM 121 CA GLU A 9 -5.816 0.436 -7.663 1.00 11.34 C ATOM 122 C GLU A 9 -4.707 0.959 -6.764 1.00 45.25 C ATOM 123 O GLU A 9 -4.459 2.168 -6.689 1.00 72.13 O ATOM 124 CB GLU A 9 -7.018 0.053 -6.792 1.00 61.14 C ATOM 125 CG GLU A 9 -7.995 -0.908 -7.443 1.00 73.41 C ATOM 126 CD GLU A 9 -7.555 -2.348 -7.288 1.00 54.11 C ATOM 127 OE1 GLU A 9 -7.761 -2.921 -6.198 1.00 43.21 O ATOM 128 OE2 GLU A 9 -6.985 -2.905 -8.241 1.00 54.15 O ATOM 0 H GLU A 9 -5.825 -1.571 -8.277 1.00 14.53 H new ATOM 0 HA GLU A 9 -6.133 1.204 -8.368 1.00 11.34 H new ATOM 0 HB2 GLU A 9 -6.651 -0.394 -5.868 1.00 61.14 H new ATOM 0 HB3 GLU A 9 -7.553 0.962 -6.516 1.00 61.14 H new ATOM 0 HG2 GLU A 9 -8.982 -0.780 -6.998 1.00 73.41 H new ATOM 0 HG3 GLU A 9 -8.089 -0.669 -8.502 1.00 73.41 H new ATOM 135 N ALA A 10 -4.031 0.031 -6.103 1.00 33.14 N ATOM 136 CA ALA A 10 -2.960 0.367 -5.181 1.00 43.25 C ATOM 137 C ALA A 10 -1.787 0.997 -5.922 1.00 2.33 C ATOM 138 O ALA A 10 -1.169 1.939 -5.432 1.00 51.33 O ATOM 139 CB ALA A 10 -2.516 -0.872 -4.421 1.00 11.34 C ATOM 0 H ALA A 10 -4.209 -0.970 -6.191 1.00 33.14 H new ATOM 0 HA ALA A 10 -3.335 1.098 -4.464 1.00 43.25 H new ATOM 0 HB1 ALA A 10 -1.713 -0.608 -3.733 1.00 11.34 H new ATOM 0 HB2 ALA A 10 -3.358 -1.275 -3.859 1.00 11.34 H new ATOM 0 HB3 ALA A 10 -2.158 -1.622 -5.126 1.00 11.34 H new ATOM 145 N GLU A 11 -1.496 0.482 -7.113 1.00 71.24 N ATOM 146 CA GLU A 11 -0.408 1.010 -7.929 1.00 64.54 C ATOM 147 C GLU A 11 -0.661 2.464 -8.310 1.00 21.11 C ATOM 148 O GLU A 11 0.253 3.288 -8.273 1.00 2.25 O ATOM 149 CB GLU A 11 -0.230 0.193 -9.205 1.00 22.21 C ATOM 150 CG GLU A 11 0.112 -1.267 -8.979 1.00 12.40 C ATOM 151 CD GLU A 11 0.412 -1.981 -10.279 1.00 33.14 C ATOM 152 OE1 GLU A 11 -0.381 -1.838 -11.237 1.00 23.54 O ATOM 153 OE2 GLU A 11 1.448 -2.670 -10.358 1.00 62.41 O ATOM 0 H GLU A 11 -1.998 -0.300 -7.534 1.00 71.24 H new ATOM 0 HA GLU A 11 0.499 0.946 -7.328 1.00 64.54 H new ATOM 0 HB2 GLU A 11 -1.149 0.251 -9.789 1.00 22.21 H new ATOM 0 HB3 GLU A 11 0.558 0.648 -9.805 1.00 22.21 H new ATOM 0 HG2 GLU A 11 0.975 -1.340 -8.317 1.00 12.40 H new ATOM 0 HG3 GLU A 11 -0.719 -1.761 -8.476 1.00 12.40 H new ATOM 160 N LYS A 12 -1.899 2.777 -8.685 1.00 33.20 N ATOM 161 CA LYS A 12 -2.234 4.130 -9.116 1.00 10.02 C ATOM 162 C LYS A 12 -2.149 5.106 -7.946 1.00 4.03 C ATOM 163 O LYS A 12 -1.626 6.212 -8.083 1.00 44.40 O ATOM 164 CB LYS A 12 -3.630 4.176 -9.746 1.00 12.54 C ATOM 165 CG LYS A 12 -3.956 5.526 -10.367 1.00 22.22 C ATOM 166 CD LYS A 12 -5.298 5.525 -11.080 1.00 32.24 C ATOM 167 CE LYS A 12 -6.457 5.343 -10.114 1.00 3.30 C ATOM 168 NZ LYS A 12 -7.772 5.479 -10.797 1.00 42.14 N ATOM 0 H LYS A 12 -2.679 2.119 -8.699 1.00 33.20 H new ATOM 0 HA LYS A 12 -1.508 4.429 -9.872 1.00 10.02 H new ATOM 0 HB2 LYS A 12 -3.703 3.403 -10.511 1.00 12.54 H new ATOM 0 HB3 LYS A 12 -4.374 3.943 -8.985 1.00 12.54 H new ATOM 0 HG2 LYS A 12 -3.961 6.289 -9.589 1.00 22.22 H new ATOM 0 HG3 LYS A 12 -3.172 5.797 -11.074 1.00 22.22 H new ATOM 0 HD2 LYS A 12 -5.421 6.463 -11.621 1.00 32.24 H new ATOM 0 HD3 LYS A 12 -5.314 4.725 -11.820 1.00 32.24 H new ATOM 0 HE2 LYS A 12 -6.390 4.360 -9.647 1.00 3.30 H new ATOM 0 HE3 LYS A 12 -6.384 6.081 -9.315 1.00 3.30 H new ATOM 0 HZ1 LYS A 12 -8.538 5.348 -10.105 1.00 42.14 H new ATOM 0 HZ2 LYS A 12 -7.847 6.426 -11.221 1.00 42.14 H new ATOM 0 HZ3 LYS A 12 -7.852 4.758 -11.542 1.00 42.14 H new ATOM 182 N MET A 13 -2.649 4.684 -6.790 1.00 22.14 N ATOM 183 CA MET A 13 -2.587 5.509 -5.588 1.00 31.11 C ATOM 184 C MET A 13 -1.141 5.686 -5.136 1.00 20.34 C ATOM 185 O MET A 13 -0.765 6.735 -4.614 1.00 51.25 O ATOM 186 CB MET A 13 -3.420 4.890 -4.464 1.00 64.53 C ATOM 187 CG MET A 13 -4.922 4.979 -4.695 1.00 2.50 C ATOM 188 SD MET A 13 -5.884 4.234 -3.366 1.00 31.13 S ATOM 189 CE MET A 13 -5.411 2.515 -3.531 1.00 74.15 C ATOM 0 H MET A 13 -3.100 3.779 -6.659 1.00 22.14 H new ATOM 0 HA MET A 13 -3.001 6.489 -5.826 1.00 31.11 H new ATOM 0 HB2 MET A 13 -3.140 3.843 -4.351 1.00 64.53 H new ATOM 0 HB3 MET A 13 -3.175 5.388 -3.526 1.00 64.53 H new ATOM 0 HG2 MET A 13 -5.207 6.026 -4.799 1.00 2.50 H new ATOM 0 HG3 MET A 13 -5.169 4.486 -5.635 1.00 2.50 H new ATOM 0 HE1 MET A 13 -5.925 1.922 -2.775 1.00 74.15 H new ATOM 0 HE2 MET A 13 -5.686 2.156 -4.523 1.00 74.15 H new ATOM 0 HE3 MET A 13 -4.334 2.420 -3.396 1.00 74.15 H new ATOM 199 N LEU A 14 -0.333 4.655 -5.353 1.00 61.02 N ATOM 200 CA LEU A 14 1.081 4.699 -5.013 1.00 72.54 C ATOM 201 C LEU A 14 1.841 5.576 -6.009 1.00 70.23 C ATOM 202 O LEU A 14 2.885 6.141 -5.684 1.00 12.24 O ATOM 203 CB LEU A 14 1.661 3.283 -5.001 1.00 72.35 C ATOM 204 CG LEU A 14 3.095 3.162 -4.486 1.00 30.22 C ATOM 205 CD1 LEU A 14 3.169 3.545 -3.016 1.00 34.42 C ATOM 206 CD2 LEU A 14 3.612 1.751 -4.698 1.00 75.22 C ATOM 0 H LEU A 14 -0.637 3.773 -5.766 1.00 61.02 H new ATOM 0 HA LEU A 14 1.190 5.132 -4.019 1.00 72.54 H new ATOM 0 HB2 LEU A 14 1.019 2.652 -4.387 1.00 72.35 H new ATOM 0 HB3 LEU A 14 1.623 2.885 -6.015 1.00 72.35 H new ATOM 0 HG LEU A 14 3.726 3.850 -5.049 1.00 30.22 H new ATOM 0 HD11 LEU A 14 4.198 3.453 -2.667 1.00 34.42 H new ATOM 0 HD12 LEU A 14 2.835 4.575 -2.891 1.00 34.42 H new ATOM 0 HD13 LEU A 14 2.528 2.882 -2.435 1.00 34.42 H new ATOM 0 HD21 LEU A 14 4.634 1.678 -4.327 1.00 75.22 H new ATOM 0 HD22 LEU A 14 2.979 1.047 -4.158 1.00 75.22 H new ATOM 0 HD23 LEU A 14 3.594 1.513 -5.762 1.00 75.22 H new ATOM 218 N GLY A 15 1.307 5.681 -7.223 1.00 15.33 N ATOM 219 CA GLY A 15 1.894 6.544 -8.234 1.00 62.34 C ATOM 220 C GLY A 15 1.796 8.004 -7.854 1.00 22.45 C ATOM 221 O GLY A 15 2.619 8.827 -8.262 1.00 41.20 O ATOM 0 H GLY A 15 0.472 5.180 -7.526 1.00 15.33 H new ATOM 0 HA2 GLY A 15 2.941 6.276 -8.377 1.00 62.34 H new ATOM 0 HA3 GLY A 15 1.390 6.382 -9.187 1.00 62.34 H new ATOM 225 N LYS A 16 0.771 8.319 -7.076 1.00 50.12 N ATOM 226 CA LYS A 16 0.579 9.655 -6.545 1.00 61.53 C ATOM 227 C LYS A 16 1.734 10.001 -5.611 1.00 42.13 C ATOM 228 O LYS A 16 2.191 11.144 -5.554 1.00 20.41 O ATOM 229 CB LYS A 16 -0.760 9.701 -5.801 1.00 65.21 C ATOM 230 CG LYS A 16 -1.357 11.090 -5.658 1.00 61.33 C ATOM 231 CD LYS A 16 -0.712 11.901 -4.539 1.00 52.40 C ATOM 232 CE LYS A 16 -0.831 11.205 -3.190 1.00 42.11 C ATOM 233 NZ LYS A 16 -0.397 12.086 -2.073 1.00 34.31 N ATOM 0 H LYS A 16 0.050 7.653 -6.797 1.00 50.12 H new ATOM 0 HA LYS A 16 0.561 10.388 -7.352 1.00 61.53 H new ATOM 0 HB2 LYS A 16 -1.474 9.065 -6.325 1.00 65.21 H new ATOM 0 HB3 LYS A 16 -0.623 9.275 -4.807 1.00 65.21 H new ATOM 0 HG2 LYS A 16 -1.245 11.627 -6.600 1.00 61.33 H new ATOM 0 HG3 LYS A 16 -2.426 11.002 -5.466 1.00 61.33 H new ATOM 0 HD2 LYS A 16 0.340 12.066 -4.771 1.00 52.40 H new ATOM 0 HD3 LYS A 16 -1.184 12.882 -4.484 1.00 52.40 H new ATOM 0 HE2 LYS A 16 -1.864 10.897 -3.030 1.00 42.11 H new ATOM 0 HE3 LYS A 16 -0.226 10.299 -3.194 1.00 42.11 H new ATOM 0 HZ1 LYS A 16 0.400 11.644 -1.572 1.00 34.31 H new ATOM 0 HZ2 LYS A 16 -0.099 13.007 -2.453 1.00 34.31 H new ATOM 0 HZ3 LYS A 16 -1.188 12.224 -1.412 1.00 34.31 H new ATOM 247 N VAL A 17 2.214 8.988 -4.903 1.00 21.03 N ATOM 248 CA VAL A 17 3.328 9.141 -3.985 1.00 11.00 C ATOM 249 C VAL A 17 4.633 9.273 -4.767 1.00 60.05 C ATOM 250 O VAL A 17 4.924 8.455 -5.643 1.00 31.51 O ATOM 251 CB VAL A 17 3.421 7.935 -3.026 1.00 31.43 C ATOM 252 CG1 VAL A 17 4.523 8.133 -2.002 1.00 11.22 C ATOM 253 CG2 VAL A 17 2.087 7.692 -2.336 1.00 2.31 C ATOM 0 H VAL A 17 1.841 8.040 -4.950 1.00 21.03 H new ATOM 0 HA VAL A 17 3.162 10.043 -3.395 1.00 11.00 H new ATOM 0 HB VAL A 17 3.668 7.055 -3.620 1.00 31.43 H new ATOM 0 HG11 VAL A 17 4.565 7.268 -1.340 1.00 11.22 H new ATOM 0 HG12 VAL A 17 5.479 8.245 -2.513 1.00 11.22 H new ATOM 0 HG13 VAL A 17 4.318 9.029 -1.415 1.00 11.22 H new ATOM 0 HG21 VAL A 17 2.175 6.838 -1.665 1.00 2.31 H new ATOM 0 HG22 VAL A 17 1.807 8.576 -1.763 1.00 2.31 H new ATOM 0 HG23 VAL A 17 1.322 7.488 -3.085 1.00 2.31 H new ATOM 263 N PRO A 18 5.416 10.322 -4.478 1.00 63.13 N ATOM 264 CA PRO A 18 6.702 10.568 -5.141 1.00 31.25 C ATOM 265 C PRO A 18 7.639 9.369 -5.075 1.00 20.11 C ATOM 266 O PRO A 18 7.636 8.613 -4.104 1.00 33.13 O ATOM 267 CB PRO A 18 7.299 11.757 -4.379 1.00 2.21 C ATOM 268 CG PRO A 18 6.455 11.927 -3.160 1.00 5.51 C ATOM 269 CD PRO A 18 5.106 11.362 -3.491 1.00 73.34 C ATOM 0 HA PRO A 18 6.564 10.760 -6.205 1.00 31.25 H new ATOM 0 HB2 PRO A 18 8.338 11.567 -4.111 1.00 2.21 H new ATOM 0 HB3 PRO A 18 7.287 12.659 -4.991 1.00 2.21 H new ATOM 0 HG2 PRO A 18 6.895 11.407 -2.309 1.00 5.51 H new ATOM 0 HG3 PRO A 18 6.378 12.979 -2.886 1.00 5.51 H new ATOM 0 HD2 PRO A 18 4.615 10.949 -2.610 1.00 73.34 H new ATOM 0 HD3 PRO A 18 4.440 12.121 -3.901 1.00 73.34 H new ATOM 277 N PHE A 19 8.466 9.241 -6.104 1.00 55.42 N ATOM 278 CA PHE A 19 9.281 8.052 -6.330 1.00 74.40 C ATOM 279 C PHE A 19 10.184 7.731 -5.139 1.00 31.24 C ATOM 280 O PHE A 19 10.326 6.570 -4.754 1.00 2.00 O ATOM 281 CB PHE A 19 10.129 8.258 -7.584 1.00 13.31 C ATOM 282 CG PHE A 19 10.629 6.981 -8.187 1.00 14.45 C ATOM 283 CD1 PHE A 19 9.757 6.154 -8.871 1.00 64.42 C ATOM 284 CD2 PHE A 19 11.959 6.612 -8.078 1.00 13.23 C ATOM 285 CE1 PHE A 19 10.203 4.976 -9.440 1.00 74.12 C ATOM 286 CE2 PHE A 19 12.412 5.434 -8.644 1.00 3.23 C ATOM 287 CZ PHE A 19 11.532 4.615 -9.325 1.00 43.42 C ATOM 0 H PHE A 19 8.592 9.965 -6.812 1.00 55.42 H new ATOM 0 HA PHE A 19 8.608 7.204 -6.460 1.00 74.40 H new ATOM 0 HB2 PHE A 19 9.539 8.794 -8.327 1.00 13.31 H new ATOM 0 HB3 PHE A 19 10.981 8.891 -7.336 1.00 13.31 H new ATOM 0 HD1 PHE A 19 8.717 6.431 -8.962 1.00 64.42 H new ATOM 0 HD2 PHE A 19 12.649 7.250 -7.546 1.00 13.23 H new ATOM 0 HE1 PHE A 19 9.514 4.338 -9.974 1.00 74.12 H new ATOM 0 HE2 PHE A 19 13.451 5.155 -8.554 1.00 3.23 H new ATOM 0 HZ PHE A 19 11.882 3.694 -9.767 1.00 43.42 H new ATOM 297 N PHE A 20 10.781 8.763 -4.560 1.00 51.00 N ATOM 298 CA PHE A 20 11.743 8.589 -3.475 1.00 65.14 C ATOM 299 C PHE A 20 11.102 7.918 -2.264 1.00 31.44 C ATOM 300 O PHE A 20 11.650 6.967 -1.706 1.00 72.32 O ATOM 301 CB PHE A 20 12.332 9.940 -3.067 1.00 11.22 C ATOM 302 CG PHE A 20 12.935 10.698 -4.214 1.00 15.54 C ATOM 303 CD1 PHE A 20 14.192 10.370 -4.694 1.00 5.23 C ATOM 304 CD2 PHE A 20 12.239 11.733 -4.817 1.00 71.43 C ATOM 305 CE1 PHE A 20 14.744 11.062 -5.757 1.00 5.14 C ATOM 306 CE2 PHE A 20 12.784 12.426 -5.880 1.00 41.11 C ATOM 307 CZ PHE A 20 14.039 12.092 -6.349 1.00 45.44 C ATOM 0 H PHE A 20 10.617 9.735 -4.823 1.00 51.00 H new ATOM 0 HA PHE A 20 12.541 7.942 -3.840 1.00 65.14 H new ATOM 0 HB2 PHE A 20 11.549 10.547 -2.612 1.00 11.22 H new ATOM 0 HB3 PHE A 20 13.095 9.780 -2.305 1.00 11.22 H new ATOM 0 HD1 PHE A 20 14.747 9.566 -4.234 1.00 5.23 H new ATOM 0 HD2 PHE A 20 11.259 12.001 -4.452 1.00 71.43 H new ATOM 0 HE1 PHE A 20 15.725 10.797 -6.124 1.00 5.14 H new ATOM 0 HE2 PHE A 20 12.229 13.228 -6.344 1.00 41.11 H new ATOM 0 HZ PHE A 20 14.469 12.635 -7.178 1.00 45.44 H new ATOM 317 N VAL A 21 9.933 8.403 -1.872 1.00 43.22 N ATOM 318 CA VAL A 21 9.263 7.889 -0.688 1.00 31.54 C ATOM 319 C VAL A 21 8.277 6.785 -1.052 1.00 73.11 C ATOM 320 O VAL A 21 7.681 6.158 -0.176 1.00 72.52 O ATOM 321 CB VAL A 21 8.530 9.007 0.084 1.00 14.14 C ATOM 322 CG1 VAL A 21 9.513 10.078 0.522 1.00 74.34 C ATOM 323 CG2 VAL A 21 7.421 9.612 -0.758 1.00 73.13 C ATOM 0 H VAL A 21 9.431 9.148 -2.354 1.00 43.22 H new ATOM 0 HA VAL A 21 10.037 7.475 -0.041 1.00 31.54 H new ATOM 0 HB VAL A 21 8.076 8.567 0.972 1.00 14.14 H new ATOM 0 HG11 VAL A 21 8.982 10.860 1.065 1.00 74.34 H new ATOM 0 HG12 VAL A 21 10.269 9.635 1.171 1.00 74.34 H new ATOM 0 HG13 VAL A 21 9.996 10.510 -0.355 1.00 74.34 H new ATOM 0 HG21 VAL A 21 6.921 10.397 -0.191 1.00 73.13 H new ATOM 0 HG22 VAL A 21 7.845 10.036 -1.668 1.00 73.13 H new ATOM 0 HG23 VAL A 21 6.700 8.838 -1.020 1.00 73.13 H new ATOM 333 N ARG A 22 8.123 6.548 -2.349 1.00 23.14 N ATOM 334 CA ARG A 22 7.243 5.498 -2.842 1.00 10.31 C ATOM 335 C ARG A 22 7.725 4.142 -2.345 1.00 12.42 C ATOM 336 O ARG A 22 6.926 3.269 -2.012 1.00 11.24 O ATOM 337 CB ARG A 22 7.200 5.520 -4.373 1.00 43.12 C ATOM 338 CG ARG A 22 6.234 4.519 -4.984 1.00 41.01 C ATOM 339 CD ARG A 22 6.167 4.667 -6.497 1.00 15.34 C ATOM 340 NE ARG A 22 5.756 6.014 -6.892 1.00 10.50 N ATOM 341 CZ ARG A 22 5.748 6.459 -8.147 1.00 51.33 C ATOM 342 NH1 ARG A 22 6.043 5.649 -9.156 1.00 30.35 N ATOM 343 NH2 ARG A 22 5.410 7.717 -8.397 1.00 54.33 N ATOM 0 H ARG A 22 8.600 7.073 -3.082 1.00 23.14 H new ATOM 0 HA ARG A 22 6.236 5.673 -2.465 1.00 10.31 H new ATOM 0 HB2 ARG A 22 6.925 6.522 -4.703 1.00 43.12 H new ATOM 0 HB3 ARG A 22 8.201 5.322 -4.756 1.00 43.12 H new ATOM 0 HG2 ARG A 22 6.547 3.506 -4.729 1.00 41.01 H new ATOM 0 HG3 ARG A 22 5.241 4.662 -4.558 1.00 41.01 H new ATOM 0 HD2 ARG A 22 7.143 4.443 -6.928 1.00 15.34 H new ATOM 0 HD3 ARG A 22 5.465 3.939 -6.903 1.00 15.34 H new ATOM 0 HE ARG A 22 5.456 6.655 -6.158 1.00 10.50 H new ATOM 0 HH11 ARG A 22 6.279 4.673 -8.975 1.00 30.35 H new ATOM 0 HH12 ARG A 22 6.033 6.002 -10.113 1.00 30.35 H new ATOM 0 HH21 ARG A 22 5.158 8.339 -7.629 1.00 54.33 H new ATOM 0 HH22 ARG A 22 5.403 8.062 -9.357 1.00 54.33 H new ATOM 357 N LYS A 23 9.044 3.987 -2.285 1.00 31.04 N ATOM 358 CA LYS A 23 9.656 2.775 -1.759 1.00 24.43 C ATOM 359 C LYS A 23 9.293 2.594 -0.285 1.00 15.21 C ATOM 360 O LYS A 23 8.962 1.492 0.155 1.00 10.04 O ATOM 361 CB LYS A 23 11.175 2.848 -1.933 1.00 42.42 C ATOM 362 CG LYS A 23 11.929 1.646 -1.385 1.00 64.22 C ATOM 363 CD LYS A 23 13.426 1.780 -1.627 1.00 41.31 C ATOM 364 CE LYS A 23 13.766 1.687 -3.110 1.00 74.23 C ATOM 365 NZ LYS A 23 15.157 2.132 -3.393 1.00 21.14 N ATOM 0 H LYS A 23 9.712 4.692 -2.597 1.00 31.04 H new ATOM 0 HA LYS A 23 9.278 1.915 -2.312 1.00 24.43 H new ATOM 0 HB2 LYS A 23 11.402 2.951 -2.994 1.00 42.42 H new ATOM 0 HB3 LYS A 23 11.542 3.748 -1.439 1.00 42.42 H new ATOM 0 HG2 LYS A 23 11.738 1.549 -0.316 1.00 64.22 H new ATOM 0 HG3 LYS A 23 11.561 0.736 -1.858 1.00 64.22 H new ATOM 0 HD2 LYS A 23 13.775 2.734 -1.232 1.00 41.31 H new ATOM 0 HD3 LYS A 23 13.955 0.998 -1.082 1.00 41.31 H new ATOM 0 HE2 LYS A 23 13.639 0.658 -3.447 1.00 74.23 H new ATOM 0 HE3 LYS A 23 13.067 2.298 -3.681 1.00 74.23 H new ATOM 0 HZ1 LYS A 23 15.346 2.053 -4.413 1.00 21.14 H new ATOM 0 HZ2 LYS A 23 15.272 3.122 -3.096 1.00 21.14 H new ATOM 0 HZ3 LYS A 23 15.826 1.533 -2.869 1.00 21.14 H new ATOM 379 N LYS A 24 9.334 3.697 0.459 1.00 52.53 N ATOM 380 CA LYS A 24 9.000 3.689 1.878 1.00 63.24 C ATOM 381 C LYS A 24 7.536 3.311 2.089 1.00 61.45 C ATOM 382 O LYS A 24 7.229 2.387 2.841 1.00 13.34 O ATOM 383 CB LYS A 24 9.278 5.069 2.490 1.00 20.54 C ATOM 384 CG LYS A 24 8.757 5.240 3.913 1.00 3.12 C ATOM 385 CD LYS A 24 9.500 4.357 4.905 1.00 21.12 C ATOM 386 CE LYS A 24 10.881 4.908 5.229 1.00 11.35 C ATOM 387 NZ LYS A 24 10.803 6.233 5.905 1.00 2.41 N ATOM 0 H LYS A 24 9.598 4.614 0.097 1.00 52.53 H new ATOM 0 HA LYS A 24 9.623 2.944 2.373 1.00 63.24 H new ATOM 0 HB2 LYS A 24 10.354 5.246 2.486 1.00 20.54 H new ATOM 0 HB3 LYS A 24 8.827 5.832 1.856 1.00 20.54 H new ATOM 0 HG2 LYS A 24 8.856 6.283 4.212 1.00 3.12 H new ATOM 0 HG3 LYS A 24 7.694 5.000 3.941 1.00 3.12 H new ATOM 0 HD2 LYS A 24 8.918 4.272 5.823 1.00 21.12 H new ATOM 0 HD3 LYS A 24 9.597 3.352 4.495 1.00 21.12 H new ATOM 0 HE2 LYS A 24 11.412 4.204 5.869 1.00 11.35 H new ATOM 0 HE3 LYS A 24 11.460 5.002 4.310 1.00 11.35 H new ATOM 0 HZ1 LYS A 24 11.689 6.413 6.419 1.00 2.41 H new ATOM 0 HZ2 LYS A 24 10.658 6.978 5.194 1.00 2.41 H new ATOM 0 HZ3 LYS A 24 10.008 6.235 6.575 1.00 2.41 H new ATOM 401 N VAL A 25 6.641 4.017 1.410 1.00 22.22 N ATOM 402 CA VAL A 25 5.211 3.794 1.575 1.00 33.32 C ATOM 403 C VAL A 25 4.821 2.393 1.112 1.00 71.02 C ATOM 404 O VAL A 25 4.048 1.706 1.777 1.00 25.11 O ATOM 405 CB VAL A 25 4.373 4.844 0.817 1.00 24.44 C ATOM 406 CG1 VAL A 25 2.888 4.628 1.068 1.00 23.51 C ATOM 407 CG2 VAL A 25 4.784 6.251 1.223 1.00 64.42 C ATOM 0 H VAL A 25 6.880 4.748 0.740 1.00 22.22 H new ATOM 0 HA VAL A 25 4.997 3.893 2.639 1.00 33.32 H new ATOM 0 HB VAL A 25 4.561 4.726 -0.250 1.00 24.44 H new ATOM 0 HG11 VAL A 25 2.314 5.379 0.525 1.00 23.51 H new ATOM 0 HG12 VAL A 25 2.602 3.634 0.725 1.00 23.51 H new ATOM 0 HG13 VAL A 25 2.683 4.716 2.135 1.00 23.51 H new ATOM 0 HG21 VAL A 25 4.182 6.978 0.678 1.00 64.42 H new ATOM 0 HG22 VAL A 25 4.628 6.381 2.294 1.00 64.42 H new ATOM 0 HG23 VAL A 25 5.837 6.404 0.989 1.00 64.42 H new ATOM 417 N ARG A 26 5.380 1.960 -0.012 1.00 44.45 N ATOM 418 CA ARG A 26 5.074 0.640 -0.547 1.00 51.31 C ATOM 419 C ARG A 26 5.457 -0.439 0.460 1.00 50.12 C ATOM 420 O ARG A 26 4.720 -1.398 0.665 1.00 61.22 O ATOM 421 CB ARG A 26 5.805 0.408 -1.870 1.00 32.13 C ATOM 422 CG ARG A 26 5.286 -0.792 -2.638 1.00 52.31 C ATOM 423 CD ARG A 26 6.050 -1.006 -3.933 1.00 63.21 C ATOM 424 NE ARG A 26 5.450 -2.063 -4.745 1.00 23.24 N ATOM 425 CZ ARG A 26 5.982 -3.272 -4.907 1.00 24.31 C ATOM 426 NH1 ARG A 26 7.135 -3.577 -4.327 1.00 41.45 N ATOM 427 NH2 ARG A 26 5.366 -4.175 -5.657 1.00 2.10 N ATOM 0 H ARG A 26 6.043 2.500 -0.567 1.00 44.45 H new ATOM 0 HA ARG A 26 4.001 0.587 -0.733 1.00 51.31 H new ATOM 0 HB2 ARG A 26 5.709 1.298 -2.492 1.00 32.13 H new ATOM 0 HB3 ARG A 26 6.868 0.272 -1.671 1.00 32.13 H new ATOM 0 HG2 ARG A 26 5.367 -1.684 -2.017 1.00 52.31 H new ATOM 0 HG3 ARG A 26 4.228 -0.652 -2.859 1.00 52.31 H new ATOM 0 HD2 ARG A 26 6.070 -0.077 -4.502 1.00 63.21 H new ATOM 0 HD3 ARG A 26 7.085 -1.263 -3.707 1.00 63.21 H new ATOM 0 HE ARG A 26 4.569 -1.861 -5.217 1.00 23.24 H new ATOM 0 HH11 ARG A 26 7.617 -2.884 -3.755 1.00 41.45 H new ATOM 0 HH12 ARG A 26 7.540 -4.505 -4.453 1.00 41.45 H new ATOM 0 HH21 ARG A 26 4.483 -3.944 -6.111 1.00 2.10 H new ATOM 0 HH22 ARG A 26 5.776 -5.101 -5.780 1.00 2.10 H new ATOM 441 N LYS A 27 6.604 -0.256 1.102 1.00 75.21 N ATOM 442 CA LYS A 27 7.079 -1.191 2.115 1.00 60.24 C ATOM 443 C LYS A 27 6.232 -1.098 3.385 1.00 74.43 C ATOM 444 O LYS A 27 6.047 -2.088 4.098 1.00 52.35 O ATOM 445 CB LYS A 27 8.550 -0.911 2.443 1.00 42.15 C ATOM 446 CG LYS A 27 9.154 -1.888 3.443 1.00 45.02 C ATOM 447 CD LYS A 27 9.212 -3.312 2.901 1.00 12.54 C ATOM 448 CE LYS A 27 10.373 -3.516 1.933 1.00 73.30 C ATOM 449 NZ LYS A 27 10.168 -2.826 0.632 1.00 24.43 N ATOM 0 H LYS A 27 7.226 0.536 0.938 1.00 75.21 H new ATOM 0 HA LYS A 27 6.988 -2.201 1.716 1.00 60.24 H new ATOM 0 HB2 LYS A 27 9.131 -0.944 1.521 1.00 42.15 H new ATOM 0 HB3 LYS A 27 8.638 0.101 2.839 1.00 42.15 H new ATOM 0 HG2 LYS A 27 10.160 -1.560 3.705 1.00 45.02 H new ATOM 0 HG3 LYS A 27 8.566 -1.875 4.361 1.00 45.02 H new ATOM 0 HD2 LYS A 27 9.307 -4.011 3.732 1.00 12.54 H new ATOM 0 HD3 LYS A 27 8.275 -3.544 2.395 1.00 12.54 H new ATOM 0 HE2 LYS A 27 11.291 -3.150 2.392 1.00 73.30 H new ATOM 0 HE3 LYS A 27 10.509 -4.583 1.756 1.00 73.30 H new ATOM 0 HZ1 LYS A 27 10.579 -3.398 -0.133 1.00 24.43 H new ATOM 0 HZ2 LYS A 27 9.150 -2.701 0.462 1.00 24.43 H new ATOM 0 HZ3 LYS A 27 10.632 -1.896 0.656 1.00 24.43 H new ATOM 463 N ASN A 28 5.709 0.091 3.656 1.00 20.24 N ATOM 464 CA ASN A 28 4.985 0.344 4.891 1.00 1.04 C ATOM 465 C ASN A 28 3.635 -0.356 4.843 1.00 35.52 C ATOM 466 O ASN A 28 3.253 -1.066 5.772 1.00 51.13 O ATOM 467 CB ASN A 28 4.802 1.851 5.088 1.00 54.33 C ATOM 468 CG ASN A 28 4.690 2.242 6.548 1.00 25.02 C ATOM 469 OD1 ASN A 28 3.606 2.276 7.119 1.00 44.03 O ATOM 470 ND2 ASN A 28 5.820 2.547 7.162 1.00 51.13 N ATOM 0 H ASN A 28 5.774 0.897 3.034 1.00 20.24 H new ATOM 0 HA ASN A 28 5.555 -0.048 5.733 1.00 1.04 H new ATOM 0 HB2 ASN A 28 5.645 2.377 4.639 1.00 54.33 H new ATOM 0 HB3 ASN A 28 3.906 2.176 4.560 1.00 54.33 H new ATOM 0 HD21 ASN A 28 5.809 2.822 8.144 1.00 51.13 H new ATOM 0 HD22 ASN A 28 6.703 2.507 6.654 1.00 51.13 H new ATOM 477 N THR A 29 2.932 -0.174 3.732 1.00 43.44 N ATOM 478 CA THR A 29 1.659 -0.842 3.512 1.00 74.44 C ATOM 479 C THR A 29 1.864 -2.337 3.333 1.00 32.04 C ATOM 480 O THR A 29 1.006 -3.143 3.693 1.00 2.02 O ATOM 481 CB THR A 29 0.967 -0.314 2.258 1.00 33.53 C ATOM 482 OG1 THR A 29 1.476 0.979 1.924 1.00 12.12 O ATOM 483 CG2 THR A 29 -0.529 -0.226 2.466 1.00 40.44 C ATOM 0 H THR A 29 3.225 0.434 2.967 1.00 43.44 H new ATOM 0 HA THR A 29 1.040 -0.644 4.387 1.00 74.44 H new ATOM 0 HB THR A 29 1.169 -1.008 1.442 1.00 33.53 H new ATOM 0 HG1 THR A 29 2.382 0.890 1.561 1.00 12.12 H new ATOM 0 HG21 THR A 29 -1.001 0.153 1.559 1.00 40.44 H new ATOM 0 HG22 THR A 29 -0.924 -1.216 2.694 1.00 40.44 H new ATOM 0 HG23 THR A 29 -0.742 0.449 3.295 1.00 40.44 H new ATOM 491 N ASP A 30 3.004 -2.691 2.756 1.00 52.00 N ATOM 492 CA ASP A 30 3.383 -4.086 2.584 1.00 30.20 C ATOM 493 C ASP A 30 3.383 -4.779 3.939 1.00 71.04 C ATOM 494 O ASP A 30 2.871 -5.884 4.093 1.00 71.33 O ATOM 495 CB ASP A 30 4.768 -4.172 1.936 1.00 50.10 C ATOM 496 CG ASP A 30 5.164 -5.581 1.553 1.00 72.21 C ATOM 497 OD1 ASP A 30 5.681 -6.309 2.420 1.00 51.40 O ATOM 498 OD2 ASP A 30 4.980 -5.951 0.376 1.00 64.00 O ATOM 0 H ASP A 30 3.687 -2.025 2.396 1.00 52.00 H new ATOM 0 HA ASP A 30 2.665 -4.584 1.932 1.00 30.20 H new ATOM 0 HB2 ASP A 30 4.785 -3.543 1.046 1.00 50.10 H new ATOM 0 HB3 ASP A 30 5.510 -3.768 2.625 1.00 50.10 H new ATOM 503 N ASN A 31 3.926 -4.091 4.936 1.00 50.12 N ATOM 504 CA ASN A 31 3.939 -4.600 6.302 1.00 55.24 C ATOM 505 C ASN A 31 2.568 -4.454 6.955 1.00 23.12 C ATOM 506 O ASN A 31 2.233 -5.200 7.876 1.00 42.23 O ATOM 507 CB ASN A 31 5.005 -3.889 7.138 1.00 33.43 C ATOM 508 CG ASN A 31 6.394 -4.458 6.916 1.00 15.31 C ATOM 509 OD1 ASN A 31 6.831 -5.353 7.640 1.00 52.02 O ATOM 510 ND2 ASN A 31 7.096 -3.958 5.907 1.00 75.52 N ATOM 0 H ASN A 31 4.364 -3.177 4.824 1.00 50.12 H new ATOM 0 HA ASN A 31 4.185 -5.661 6.258 1.00 55.24 H new ATOM 0 HB2 ASN A 31 5.007 -2.827 6.891 1.00 33.43 H new ATOM 0 HB3 ASN A 31 4.747 -3.970 8.194 1.00 33.43 H new ATOM 0 HD21 ASN A 31 8.031 -4.315 5.710 1.00 75.52 H new ATOM 0 HD22 ASN A 31 6.701 -3.217 5.329 1.00 75.52 H new ATOM 517 N TYR A 32 1.767 -3.507 6.472 1.00 71.24 N ATOM 518 CA TYR A 32 0.418 -3.324 6.997 1.00 52.14 C ATOM 519 C TYR A 32 -0.458 -4.506 6.608 1.00 3.52 C ATOM 520 O TYR A 32 -1.186 -5.056 7.433 1.00 31.33 O ATOM 521 CB TYR A 32 -0.212 -2.023 6.481 1.00 34.24 C ATOM 522 CG TYR A 32 -1.675 -1.882 6.858 1.00 31.20 C ATOM 523 CD1 TYR A 32 -2.056 -1.719 8.183 1.00 42.34 C ATOM 524 CD2 TYR A 32 -2.673 -1.931 5.892 1.00 33.51 C ATOM 525 CE1 TYR A 32 -3.389 -1.611 8.536 1.00 63.51 C ATOM 526 CE2 TYR A 32 -4.009 -1.818 6.236 1.00 25.20 C ATOM 527 CZ TYR A 32 -4.361 -1.661 7.560 1.00 41.43 C ATOM 528 OH TYR A 32 -5.689 -1.557 7.913 1.00 11.40 O ATOM 0 H TYR A 32 2.026 -2.861 5.726 1.00 71.24 H new ATOM 0 HA TYR A 32 0.488 -3.262 8.083 1.00 52.14 H new ATOM 0 HB2 TYR A 32 0.344 -1.174 6.879 1.00 34.24 H new ATOM 0 HB3 TYR A 32 -0.117 -1.985 5.396 1.00 34.24 H new ATOM 0 HD1 TYR A 32 -1.298 -1.676 8.951 1.00 42.34 H new ATOM 0 HD2 TYR A 32 -2.401 -2.060 4.855 1.00 33.51 H new ATOM 0 HE1 TYR A 32 -3.667 -1.488 9.572 1.00 63.51 H new ATOM 0 HE2 TYR A 32 -4.771 -1.853 5.472 1.00 25.20 H new ATOM 0 HH TYR A 32 -5.771 -1.006 8.720 1.00 11.40 H new ATOM 538 N ALA A 33 -0.372 -4.893 5.347 1.00 51.43 N ATOM 539 CA ALA A 33 -1.164 -5.996 4.831 1.00 32.41 C ATOM 540 C ALA A 33 -0.782 -7.310 5.510 1.00 53.35 C ATOM 541 O ALA A 33 -1.624 -8.184 5.708 1.00 14.21 O ATOM 542 CB ALA A 33 -1.008 -6.089 3.324 1.00 61.53 C ATOM 0 H ALA A 33 0.242 -4.457 4.659 1.00 51.43 H new ATOM 0 HA ALA A 33 -2.213 -5.807 5.057 1.00 32.41 H new ATOM 0 HB1 ALA A 33 -1.606 -6.919 2.947 1.00 61.53 H new ATOM 0 HB2 ALA A 33 -1.347 -5.160 2.865 1.00 61.53 H new ATOM 0 HB3 ALA A 33 0.040 -6.255 3.076 1.00 61.53 H new ATOM 548 N ARG A 34 0.485 -7.442 5.886 1.00 10.42 N ATOM 549 CA ARG A 34 0.938 -8.623 6.619 1.00 72.02 C ATOM 550 C ARG A 34 0.291 -8.670 7.993 1.00 54.30 C ATOM 551 O ARG A 34 -0.034 -9.741 8.503 1.00 51.13 O ATOM 552 CB ARG A 34 2.455 -8.621 6.788 1.00 51.51 C ATOM 553 CG ARG A 34 3.211 -8.508 5.485 1.00 32.14 C ATOM 554 CD ARG A 34 4.710 -8.568 5.707 1.00 4.22 C ATOM 555 NE ARG A 34 5.455 -8.202 4.509 1.00 71.43 N ATOM 556 CZ ARG A 34 6.617 -8.742 4.156 1.00 44.43 C ATOM 557 NH1 ARG A 34 7.129 -9.759 4.841 1.00 44.20 N ATOM 558 NH2 ARG A 34 7.249 -8.278 3.091 1.00 30.23 N ATOM 0 H ARG A 34 1.213 -6.753 5.698 1.00 10.42 H new ATOM 0 HA ARG A 34 0.647 -9.500 6.040 1.00 72.02 H new ATOM 0 HB2 ARG A 34 2.738 -7.791 7.435 1.00 51.51 H new ATOM 0 HB3 ARG A 34 2.757 -9.538 7.294 1.00 51.51 H new ATOM 0 HG2 ARG A 34 2.908 -9.314 4.816 1.00 32.14 H new ATOM 0 HG3 ARG A 34 2.952 -7.571 4.993 1.00 32.14 H new ATOM 0 HD2 ARG A 34 4.983 -7.898 6.522 1.00 4.22 H new ATOM 0 HD3 ARG A 34 4.991 -9.575 6.015 1.00 4.22 H new ATOM 0 HE ARG A 34 5.059 -7.485 3.902 1.00 71.43 H new ATOM 0 HH11 ARG A 34 6.629 -10.134 5.647 1.00 44.20 H new ATOM 0 HH12 ARG A 34 8.022 -10.165 4.560 1.00 44.20 H new ATOM 0 HH21 ARG A 34 6.844 -7.514 2.550 1.00 30.23 H new ATOM 0 HH22 ARG A 34 8.141 -8.684 2.810 1.00 30.23 H new ATOM 572 N GLU A 35 0.101 -7.495 8.580 1.00 45.44 N ATOM 573 CA GLU A 35 -0.469 -7.392 9.909 1.00 51.53 C ATOM 574 C GLU A 35 -1.916 -7.881 9.907 1.00 70.12 C ATOM 575 O GLU A 35 -2.354 -8.581 10.824 1.00 64.51 O ATOM 576 CB GLU A 35 -0.411 -5.945 10.409 1.00 63.44 C ATOM 577 CG GLU A 35 -0.829 -5.786 11.860 1.00 23.44 C ATOM 578 CD GLU A 35 -1.105 -4.344 12.241 1.00 15.43 C ATOM 579 OE1 GLU A 35 -0.143 -3.572 12.436 1.00 64.12 O ATOM 580 OE2 GLU A 35 -2.289 -3.980 12.366 1.00 34.31 O ATOM 0 H GLU A 35 0.336 -6.600 8.151 1.00 45.44 H new ATOM 0 HA GLU A 35 0.117 -8.020 10.580 1.00 51.53 H new ATOM 0 HB2 GLU A 35 0.605 -5.568 10.289 1.00 63.44 H new ATOM 0 HB3 GLU A 35 -1.056 -5.327 9.784 1.00 63.44 H new ATOM 0 HG2 GLU A 35 -1.723 -6.382 12.042 1.00 23.44 H new ATOM 0 HG3 GLU A 35 -0.044 -6.183 12.504 1.00 23.44 H new ATOM 587 N ILE A 36 -2.647 -7.521 8.862 1.00 31.22 N ATOM 588 CA ILE A 36 -4.054 -7.892 8.741 1.00 75.31 C ATOM 589 C ILE A 36 -4.217 -9.247 8.053 1.00 21.44 C ATOM 590 O ILE A 36 -5.335 -9.722 7.846 1.00 33.54 O ATOM 591 CB ILE A 36 -4.852 -6.821 7.966 1.00 31.25 C ATOM 592 CG1 ILE A 36 -4.296 -6.649 6.547 1.00 0.01 C ATOM 593 CG2 ILE A 36 -4.826 -5.496 8.718 1.00 3.03 C ATOM 594 CD1 ILE A 36 -5.025 -5.606 5.725 1.00 22.14 C ATOM 0 H ILE A 36 -2.289 -6.970 8.082 1.00 31.22 H new ATOM 0 HA ILE A 36 -4.450 -7.963 9.754 1.00 75.31 H new ATOM 0 HB ILE A 36 -5.887 -7.154 7.885 1.00 31.25 H new ATOM 0 HG12 ILE A 36 -3.243 -6.376 6.611 1.00 0.01 H new ATOM 0 HG13 ILE A 36 -4.347 -7.607 6.029 1.00 0.01 H new ATOM 0 HG21 ILE A 36 -5.392 -4.750 8.160 1.00 3.03 H new ATOM 0 HG22 ILE A 36 -5.272 -5.628 9.704 1.00 3.03 H new ATOM 0 HG23 ILE A 36 -3.795 -5.161 8.829 1.00 3.03 H new ATOM 0 HD11 ILE A 36 -4.574 -5.543 4.735 1.00 22.14 H new ATOM 0 HD12 ILE A 36 -6.074 -5.887 5.629 1.00 22.14 H new ATOM 0 HD13 ILE A 36 -4.953 -4.637 6.219 1.00 22.14 H new ATOM 606 N GLY A 37 -3.094 -9.868 7.711 1.00 44.33 N ATOM 607 CA GLY A 37 -3.126 -11.165 7.061 1.00 60.41 C ATOM 608 C GLY A 37 -3.722 -11.096 5.668 1.00 34.02 C ATOM 609 O GLY A 37 -4.662 -11.824 5.347 1.00 51.11 O ATOM 0 H GLY A 37 -2.159 -9.495 7.873 1.00 44.33 H new ATOM 0 HA2 GLY A 37 -2.113 -11.564 7.001 1.00 60.41 H new ATOM 0 HA3 GLY A 37 -3.707 -11.859 7.668 1.00 60.41 H new ATOM 613 N GLU A 38 -3.192 -10.206 4.850 1.00 24.01 N ATOM 614 CA GLU A 38 -3.674 -10.031 3.496 1.00 75.24 C ATOM 615 C GLU A 38 -2.499 -9.933 2.525 1.00 61.34 C ATOM 616 O GLU A 38 -1.758 -8.956 2.538 1.00 73.43 O ATOM 617 CB GLU A 38 -4.532 -8.768 3.422 1.00 34.01 C ATOM 618 CG GLU A 38 -5.163 -8.536 2.067 1.00 73.53 C ATOM 619 CD GLU A 38 -6.112 -9.644 1.676 1.00 0.51 C ATOM 620 OE1 GLU A 38 -7.294 -9.584 2.073 1.00 3.31 O ATOM 621 OE2 GLU A 38 -5.684 -10.584 0.978 1.00 2.35 O ATOM 0 H GLU A 38 -2.421 -9.589 5.104 1.00 24.01 H new ATOM 0 HA GLU A 38 -4.280 -10.893 3.215 1.00 75.24 H new ATOM 0 HB2 GLU A 38 -5.320 -8.831 4.173 1.00 34.01 H new ATOM 0 HB3 GLU A 38 -3.916 -7.906 3.678 1.00 34.01 H new ATOM 0 HG2 GLU A 38 -5.700 -7.588 2.077 1.00 73.53 H new ATOM 0 HG3 GLU A 38 -4.379 -8.450 1.314 1.00 73.53 H new ATOM 628 N PRO A 39 -2.295 -10.964 1.692 1.00 74.32 N ATOM 629 CA PRO A 39 -1.213 -10.984 0.702 1.00 0.44 C ATOM 630 C PRO A 39 -1.490 -10.066 -0.487 1.00 44.33 C ATOM 631 O PRO A 39 -0.575 -9.708 -1.235 1.00 54.44 O ATOM 632 CB PRO A 39 -1.160 -12.450 0.238 1.00 24.22 C ATOM 633 CG PRO A 39 -2.084 -13.202 1.142 1.00 3.15 C ATOM 634 CD PRO A 39 -3.076 -12.203 1.661 1.00 24.21 C ATOM 0 HA PRO A 39 -0.277 -10.626 1.131 1.00 0.44 H new ATOM 0 HB2 PRO A 39 -1.472 -12.541 -0.802 1.00 24.22 H new ATOM 0 HB3 PRO A 39 -0.145 -12.843 0.302 1.00 24.22 H new ATOM 0 HG2 PRO A 39 -2.587 -14.004 0.602 1.00 3.15 H new ATOM 0 HG3 PRO A 39 -1.534 -13.665 1.961 1.00 3.15 H new ATOM 0 HD2 PRO A 39 -3.945 -12.118 1.009 1.00 24.21 H new ATOM 0 HD3 PRO A 39 -3.445 -12.474 2.650 1.00 24.21 H new ATOM 642 N VAL A 40 -2.755 -9.692 -0.656 1.00 73.42 N ATOM 643 CA VAL A 40 -3.168 -8.871 -1.785 1.00 34.40 C ATOM 644 C VAL A 40 -3.532 -7.461 -1.330 1.00 74.20 C ATOM 645 O VAL A 40 -4.580 -7.239 -0.721 1.00 21.04 O ATOM 646 CB VAL A 40 -4.373 -9.496 -2.523 1.00 5.25 C ATOM 647 CG1 VAL A 40 -4.730 -8.687 -3.758 1.00 73.12 C ATOM 648 CG2 VAL A 40 -4.081 -10.942 -2.894 1.00 72.41 C ATOM 0 H VAL A 40 -3.512 -9.947 -0.022 1.00 73.42 H new ATOM 0 HA VAL A 40 -2.322 -8.820 -2.471 1.00 34.40 H new ATOM 0 HB VAL A 40 -5.230 -9.480 -1.849 1.00 5.25 H new ATOM 0 HG11 VAL A 40 -5.581 -9.147 -4.261 1.00 73.12 H new ATOM 0 HG12 VAL A 40 -4.988 -7.670 -3.464 1.00 73.12 H new ATOM 0 HG13 VAL A 40 -3.877 -8.663 -4.437 1.00 73.12 H new ATOM 0 HG21 VAL A 40 -4.941 -11.365 -3.413 1.00 72.41 H new ATOM 0 HG22 VAL A 40 -3.208 -10.981 -3.546 1.00 72.41 H new ATOM 0 HG23 VAL A 40 -3.884 -11.517 -1.989 1.00 72.41 H new ATOM 658 N VAL A 41 -2.660 -6.514 -1.629 1.00 4.33 N ATOM 659 CA VAL A 41 -2.876 -5.126 -1.252 1.00 32.32 C ATOM 660 C VAL A 41 -3.778 -4.436 -2.272 1.00 45.33 C ATOM 661 O VAL A 41 -3.344 -4.096 -3.374 1.00 74.41 O ATOM 662 CB VAL A 41 -1.542 -4.359 -1.136 1.00 71.43 C ATOM 663 CG1 VAL A 41 -1.775 -2.948 -0.617 1.00 43.31 C ATOM 664 CG2 VAL A 41 -0.565 -5.114 -0.241 1.00 34.21 C ATOM 0 H VAL A 41 -1.790 -6.682 -2.135 1.00 4.33 H new ATOM 0 HA VAL A 41 -3.360 -5.120 -0.275 1.00 32.32 H new ATOM 0 HB VAL A 41 -1.102 -4.284 -2.131 1.00 71.43 H new ATOM 0 HG11 VAL A 41 -0.821 -2.425 -0.543 1.00 43.31 H new ATOM 0 HG12 VAL A 41 -2.430 -2.412 -1.303 1.00 43.31 H new ATOM 0 HG13 VAL A 41 -2.240 -2.995 0.368 1.00 43.31 H new ATOM 0 HG21 VAL A 41 0.370 -4.557 -0.172 1.00 34.21 H new ATOM 0 HG22 VAL A 41 -0.995 -5.226 0.754 1.00 34.21 H new ATOM 0 HG23 VAL A 41 -0.370 -6.099 -0.665 1.00 34.21 H new ATOM 674 N THR A 42 -5.038 -4.259 -1.901 1.00 31.21 N ATOM 675 CA THR A 42 -6.024 -3.636 -2.774 1.00 65.33 C ATOM 676 C THR A 42 -6.283 -2.186 -2.369 1.00 45.21 C ATOM 677 O THR A 42 -5.684 -1.684 -1.413 1.00 41.21 O ATOM 678 CB THR A 42 -7.351 -4.417 -2.735 1.00 44.14 C ATOM 679 OG1 THR A 42 -7.749 -4.626 -1.372 1.00 2.32 O ATOM 680 CG2 THR A 42 -7.220 -5.756 -3.443 1.00 5.14 C ATOM 0 H THR A 42 -5.405 -4.541 -0.992 1.00 31.21 H new ATOM 0 HA THR A 42 -5.621 -3.653 -3.787 1.00 65.33 H new ATOM 0 HB THR A 42 -8.109 -3.830 -3.254 1.00 44.14 H new ATOM 0 HG1 THR A 42 -8.594 -5.121 -1.350 1.00 2.32 H new ATOM 0 HG21 THR A 42 -8.172 -6.285 -3.400 1.00 5.14 H new ATOM 0 HG22 THR A 42 -6.944 -5.591 -4.484 1.00 5.14 H new ATOM 0 HG23 THR A 42 -6.450 -6.353 -2.953 1.00 5.14 H new ATOM 688 N ALA A 43 -7.171 -1.514 -3.109 1.00 21.11 N ATOM 689 CA ALA A 43 -7.594 -0.158 -2.768 1.00 73.00 C ATOM 690 C ALA A 43 -8.089 -0.067 -1.325 1.00 2.24 C ATOM 691 O ALA A 43 -7.784 0.894 -0.622 1.00 63.15 O ATOM 692 CB ALA A 43 -8.682 0.310 -3.721 1.00 71.40 C ATOM 0 H ALA A 43 -7.610 -1.891 -3.949 1.00 21.11 H new ATOM 0 HA ALA A 43 -6.725 0.492 -2.865 1.00 73.00 H new ATOM 0 HB1 ALA A 43 -8.988 1.322 -3.455 1.00 71.40 H new ATOM 0 HB2 ALA A 43 -8.299 0.303 -4.742 1.00 71.40 H new ATOM 0 HB3 ALA A 43 -9.540 -0.359 -3.650 1.00 71.40 H new ATOM 698 N ASP A 44 -8.842 -1.074 -0.888 1.00 0.14 N ATOM 699 CA ASP A 44 -9.374 -1.104 0.474 1.00 45.53 C ATOM 700 C ASP A 44 -8.252 -1.069 1.500 1.00 13.02 C ATOM 701 O ASP A 44 -8.298 -0.299 2.462 1.00 3.23 O ATOM 702 CB ASP A 44 -10.234 -2.353 0.697 1.00 35.13 C ATOM 703 CG ASP A 44 -11.619 -2.228 0.099 1.00 73.53 C ATOM 704 OD1 ASP A 44 -11.754 -2.334 -1.140 1.00 70.53 O ATOM 705 OD2 ASP A 44 -12.584 -2.019 0.867 1.00 43.34 O ATOM 0 H ASP A 44 -9.098 -1.881 -1.457 1.00 0.14 H new ATOM 0 HA ASP A 44 -9.995 -0.217 0.602 1.00 45.53 H new ATOM 0 HB2 ASP A 44 -9.732 -3.217 0.261 1.00 35.13 H new ATOM 0 HB3 ASP A 44 -10.321 -2.542 1.767 1.00 35.13 H new ATOM 710 N VAL A 45 -7.240 -1.898 1.277 1.00 2.40 N ATOM 711 CA VAL A 45 -6.093 -1.979 2.174 1.00 34.12 C ATOM 712 C VAL A 45 -5.372 -0.635 2.251 1.00 64.23 C ATOM 713 O VAL A 45 -5.054 -0.149 3.336 1.00 53.12 O ATOM 714 CB VAL A 45 -5.102 -3.076 1.722 1.00 73.34 C ATOM 715 CG1 VAL A 45 -3.913 -3.157 2.667 1.00 62.11 C ATOM 716 CG2 VAL A 45 -5.803 -4.425 1.630 1.00 44.35 C ATOM 0 H VAL A 45 -7.190 -2.528 0.477 1.00 2.40 H new ATOM 0 HA VAL A 45 -6.470 -2.240 3.163 1.00 34.12 H new ATOM 0 HB VAL A 45 -4.731 -2.810 0.732 1.00 73.34 H new ATOM 0 HG11 VAL A 45 -3.231 -3.936 2.327 1.00 62.11 H new ATOM 0 HG12 VAL A 45 -3.393 -2.199 2.680 1.00 62.11 H new ATOM 0 HG13 VAL A 45 -4.262 -3.394 3.672 1.00 62.11 H new ATOM 0 HG21 VAL A 45 -5.090 -5.185 1.310 1.00 44.35 H new ATOM 0 HG22 VAL A 45 -6.206 -4.693 2.607 1.00 44.35 H new ATOM 0 HG23 VAL A 45 -6.616 -4.364 0.907 1.00 44.35 H new ATOM 726 N PHE A 46 -5.149 -0.024 1.093 1.00 1.14 N ATOM 727 CA PHE A 46 -4.449 1.254 1.023 1.00 63.10 C ATOM 728 C PHE A 46 -5.306 2.371 1.622 1.00 52.24 C ATOM 729 O PHE A 46 -4.786 3.341 2.179 1.00 64.34 O ATOM 730 CB PHE A 46 -4.078 1.580 -0.426 1.00 4.32 C ATOM 731 CG PHE A 46 -3.069 2.688 -0.558 1.00 41.52 C ATOM 732 CD1 PHE A 46 -1.712 2.409 -0.522 1.00 31.23 C ATOM 733 CD2 PHE A 46 -3.474 4.003 -0.719 1.00 41.35 C ATOM 734 CE1 PHE A 46 -0.777 3.419 -0.645 1.00 50.23 C ATOM 735 CE2 PHE A 46 -2.545 5.018 -0.842 1.00 0.33 C ATOM 736 CZ PHE A 46 -1.196 4.726 -0.805 1.00 74.20 C ATOM 0 H PHE A 46 -5.443 -0.393 0.189 1.00 1.14 H new ATOM 0 HA PHE A 46 -3.531 1.177 1.606 1.00 63.10 H new ATOM 0 HB2 PHE A 46 -3.683 0.682 -0.901 1.00 4.32 H new ATOM 0 HB3 PHE A 46 -4.981 1.857 -0.969 1.00 4.32 H new ATOM 0 HD1 PHE A 46 -1.381 1.389 -0.396 1.00 31.23 H new ATOM 0 HD2 PHE A 46 -4.528 4.237 -0.749 1.00 41.35 H new ATOM 0 HE1 PHE A 46 0.278 3.188 -0.616 1.00 50.23 H new ATOM 0 HE2 PHE A 46 -2.874 6.039 -0.967 1.00 0.33 H new ATOM 0 HZ PHE A 46 -0.469 5.519 -0.901 1.00 74.20 H new ATOM 746 N ARG A 47 -6.623 2.247 1.491 1.00 30.31 N ATOM 747 CA ARG A 47 -7.543 3.220 2.075 1.00 11.44 C ATOM 748 C ARG A 47 -7.408 3.245 3.595 1.00 32.44 C ATOM 749 O ARG A 47 -7.306 4.314 4.199 1.00 21.32 O ATOM 750 CB ARG A 47 -8.994 2.922 1.674 1.00 4.24 C ATOM 751 CG ARG A 47 -9.997 3.890 2.284 1.00 73.33 C ATOM 752 CD ARG A 47 -11.338 3.850 1.572 1.00 25.52 C ATOM 753 NE ARG A 47 -12.066 2.598 1.785 1.00 44.35 N ATOM 754 CZ ARG A 47 -13.282 2.361 1.289 1.00 50.14 C ATOM 755 NH1 ARG A 47 -13.887 3.280 0.546 1.00 31.43 N ATOM 756 NH2 ARG A 47 -13.893 1.212 1.542 1.00 72.41 N ATOM 0 H ARG A 47 -7.077 1.485 0.987 1.00 30.31 H new ATOM 0 HA ARG A 47 -7.278 4.203 1.685 1.00 11.44 H new ATOM 0 HB2 ARG A 47 -9.078 2.958 0.588 1.00 4.24 H new ATOM 0 HB3 ARG A 47 -9.247 1.907 1.980 1.00 4.24 H new ATOM 0 HG2 ARG A 47 -10.139 3.648 3.337 1.00 73.33 H new ATOM 0 HG3 ARG A 47 -9.595 4.902 2.241 1.00 73.33 H new ATOM 0 HD2 ARG A 47 -11.951 4.683 1.918 1.00 25.52 H new ATOM 0 HD3 ARG A 47 -11.179 3.993 0.503 1.00 25.52 H new ATOM 0 HE ARG A 47 -11.621 1.869 2.342 1.00 44.35 H new ATOM 0 HH11 ARG A 47 -13.422 4.168 0.354 1.00 31.43 H new ATOM 0 HH12 ARG A 47 -14.816 3.099 0.167 1.00 31.43 H new ATOM 0 HH21 ARG A 47 -13.434 0.506 2.117 1.00 72.41 H new ATOM 0 HH22 ARG A 47 -14.822 1.034 1.161 1.00 72.41 H new ATOM 770 N LYS A 48 -7.379 2.064 4.196 1.00 13.12 N ATOM 771 CA LYS A 48 -7.277 1.934 5.647 1.00 5.13 C ATOM 772 C LYS A 48 -5.879 2.303 6.133 1.00 41.32 C ATOM 773 O LYS A 48 -5.708 2.819 7.241 1.00 64.13 O ATOM 774 CB LYS A 48 -7.624 0.505 6.069 1.00 34.31 C ATOM 775 CG LYS A 48 -9.009 0.069 5.628 1.00 12.40 C ATOM 776 CD LYS A 48 -9.326 -1.344 6.079 1.00 4.41 C ATOM 777 CE LYS A 48 -10.662 -1.808 5.527 1.00 3.24 C ATOM 778 NZ LYS A 48 -11.023 -3.167 6.008 1.00 64.04 N ATOM 0 H LYS A 48 -7.425 1.175 3.699 1.00 13.12 H new ATOM 0 HA LYS A 48 -7.986 2.624 6.104 1.00 5.13 H new ATOM 0 HB2 LYS A 48 -6.885 -0.179 5.652 1.00 34.31 H new ATOM 0 HB3 LYS A 48 -7.554 0.427 7.154 1.00 34.31 H new ATOM 0 HG2 LYS A 48 -9.752 0.755 6.034 1.00 12.40 H new ATOM 0 HG3 LYS A 48 -9.080 0.128 4.542 1.00 12.40 H new ATOM 0 HD2 LYS A 48 -8.538 -2.020 5.748 1.00 4.41 H new ATOM 0 HD3 LYS A 48 -9.345 -1.386 7.168 1.00 4.41 H new ATOM 0 HE2 LYS A 48 -11.439 -1.102 5.819 1.00 3.24 H new ATOM 0 HE3 LYS A 48 -10.624 -1.808 4.438 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 -11.942 -3.444 5.607 1.00 64.04 H new ATOM 0 HZ2 LYS A 48 -10.295 -3.846 5.708 1.00 64.04 H new ATOM 0 HZ3 LYS A 48 -11.085 -3.163 7.046 1.00 64.04 H new ATOM 792 N ALA A 49 -4.890 2.039 5.285 1.00 43.32 N ATOM 793 CA ALA A 49 -3.480 2.220 5.624 1.00 64.42 C ATOM 794 C ALA A 49 -3.175 3.595 6.220 1.00 62.25 C ATOM 795 O ALA A 49 -2.428 3.693 7.189 1.00 34.40 O ATOM 796 CB ALA A 49 -2.616 1.986 4.394 1.00 34.31 C ATOM 0 H ALA A 49 -5.043 1.692 4.338 1.00 43.32 H new ATOM 0 HA ALA A 49 -3.246 1.485 6.394 1.00 64.42 H new ATOM 0 HB1 ALA A 49 -1.567 2.123 4.655 1.00 34.31 H new ATOM 0 HB2 ALA A 49 -2.770 0.970 4.029 1.00 34.31 H new ATOM 0 HB3 ALA A 49 -2.892 2.697 3.615 1.00 34.31 H new ATOM 802 N LYS A 50 -3.760 4.654 5.662 1.00 55.50 N ATOM 803 CA LYS A 50 -3.442 6.016 6.107 1.00 55.45 C ATOM 804 C LYS A 50 -3.738 6.231 7.591 1.00 14.52 C ATOM 805 O LYS A 50 -3.074 7.031 8.249 1.00 14.24 O ATOM 806 CB LYS A 50 -4.182 7.071 5.278 1.00 34.43 C ATOM 807 CG LYS A 50 -3.536 7.360 3.929 1.00 12.41 C ATOM 808 CD LYS A 50 -4.080 6.472 2.824 1.00 2.00 C ATOM 809 CE LYS A 50 -5.537 6.792 2.532 1.00 22.14 C ATOM 810 NZ LYS A 50 -6.062 6.008 1.385 1.00 24.15 N ATOM 0 H LYS A 50 -4.448 4.601 4.911 1.00 55.50 H new ATOM 0 HA LYS A 50 -2.369 6.135 5.955 1.00 55.45 H new ATOM 0 HB2 LYS A 50 -5.207 6.738 5.115 1.00 34.43 H new ATOM 0 HB3 LYS A 50 -4.235 7.997 5.850 1.00 34.43 H new ATOM 0 HG2 LYS A 50 -3.702 8.405 3.666 1.00 12.41 H new ATOM 0 HG3 LYS A 50 -2.458 7.218 4.008 1.00 12.41 H new ATOM 0 HD2 LYS A 50 -3.487 6.607 1.920 1.00 2.00 H new ATOM 0 HD3 LYS A 50 -3.985 5.426 3.114 1.00 2.00 H new ATOM 0 HE2 LYS A 50 -6.138 6.585 3.418 1.00 22.14 H new ATOM 0 HE3 LYS A 50 -5.639 7.856 2.320 1.00 22.14 H new ATOM 0 HZ1 LYS A 50 -7.090 5.887 1.488 1.00 24.15 H new ATOM 0 HZ2 LYS A 50 -5.860 6.512 0.498 1.00 24.15 H new ATOM 0 HZ3 LYS A 50 -5.604 5.074 1.364 1.00 24.15 H new ATOM 824 N GLU A 51 -4.720 5.516 8.121 1.00 12.11 N ATOM 825 CA GLU A 51 -5.072 5.649 9.529 1.00 72.21 C ATOM 826 C GLU A 51 -4.072 4.918 10.416 1.00 53.42 C ATOM 827 O GLU A 51 -3.585 5.466 11.405 1.00 44.30 O ATOM 828 CB GLU A 51 -6.476 5.104 9.791 1.00 24.55 C ATOM 829 CG GLU A 51 -7.586 5.918 9.153 1.00 62.34 C ATOM 830 CD GLU A 51 -8.958 5.436 9.570 1.00 62.22 C ATOM 831 OE1 GLU A 51 -9.330 5.643 10.745 1.00 34.21 O ATOM 832 OE2 GLU A 51 -9.672 4.851 8.729 1.00 12.03 O ATOM 0 H GLU A 51 -5.284 4.842 7.603 1.00 12.11 H new ATOM 0 HA GLU A 51 -5.048 6.711 9.772 1.00 72.21 H new ATOM 0 HB2 GLU A 51 -6.532 4.080 9.420 1.00 24.55 H new ATOM 0 HB3 GLU A 51 -6.643 5.063 10.867 1.00 24.55 H new ATOM 0 HG2 GLU A 51 -7.471 6.966 9.430 1.00 62.34 H new ATOM 0 HG3 GLU A 51 -7.497 5.863 8.068 1.00 62.34 H new ATOM 839 N HIS A 52 -3.760 3.686 10.042 1.00 12.23 N ATOM 840 CA HIS A 52 -2.929 2.812 10.864 1.00 43.21 C ATOM 841 C HIS A 52 -1.443 3.124 10.690 1.00 14.02 C ATOM 842 O HIS A 52 -0.651 2.962 11.618 1.00 53.55 O ATOM 843 CB HIS A 52 -3.209 1.353 10.493 1.00 2.40 C ATOM 844 CG HIS A 52 -2.665 0.346 11.465 1.00 34.25 C ATOM 845 ND1 HIS A 52 -3.397 -0.142 12.520 1.00 51.24 N ATOM 846 CD2 HIS A 52 -1.472 -0.288 11.512 1.00 4.23 C ATOM 847 CE1 HIS A 52 -2.679 -1.034 13.176 1.00 42.40 C ATOM 848 NE2 HIS A 52 -1.503 -1.148 12.584 1.00 52.41 N ATOM 0 H HIS A 52 -4.072 3.264 9.167 1.00 12.23 H new ATOM 0 HA HIS A 52 -3.180 2.983 11.911 1.00 43.21 H new ATOM 0 HB2 HIS A 52 -4.287 1.213 10.410 1.00 2.40 H new ATOM 0 HB3 HIS A 52 -2.785 1.154 9.509 1.00 2.40 H new ATOM 0 HD2 HIS A 52 -0.646 -0.145 10.832 1.00 4.23 H new ATOM 0 HE1 HIS A 52 -2.999 -1.580 14.051 1.00 42.40 H new ATOM 0 HE2 HIS A 52 -0.747 -1.769 12.873 1.00 52.41 H new ATOM 857 N LEU A 53 -1.068 3.561 9.500 1.00 31.33 N ATOM 858 CA LEU A 53 0.331 3.810 9.187 1.00 71.42 C ATOM 859 C LEU A 53 0.664 5.287 9.330 1.00 55.11 C ATOM 860 O LEU A 53 1.218 5.715 10.341 1.00 13.33 O ATOM 861 CB LEU A 53 0.643 3.346 7.766 1.00 62.43 C ATOM 862 CG LEU A 53 0.277 1.891 7.458 1.00 63.34 C ATOM 863 CD1 LEU A 53 0.604 1.560 6.012 1.00 53.44 C ATOM 864 CD2 LEU A 53 1.002 0.940 8.404 1.00 70.10 C ATOM 0 H LEU A 53 -1.713 3.751 8.733 1.00 31.33 H new ATOM 0 HA LEU A 53 0.942 3.247 9.892 1.00 71.42 H new ATOM 0 HB2 LEU A 53 0.114 3.993 7.066 1.00 62.43 H new ATOM 0 HB3 LEU A 53 1.709 3.482 7.583 1.00 62.43 H new ATOM 0 HG LEU A 53 -0.795 1.766 7.608 1.00 63.34 H new ATOM 0 HD11 LEU A 53 0.339 0.523 5.807 1.00 53.44 H new ATOM 0 HD12 LEU A 53 0.038 2.217 5.351 1.00 53.44 H new ATOM 0 HD13 LEU A 53 1.671 1.703 5.838 1.00 53.44 H new ATOM 0 HD21 LEU A 53 0.727 -0.088 8.167 1.00 70.10 H new ATOM 0 HD22 LEU A 53 2.079 1.064 8.289 1.00 70.10 H new ATOM 0 HD23 LEU A 53 0.719 1.164 9.432 1.00 70.10 H new ATOM 876 N GLY A 54 0.307 6.067 8.323 1.00 71.24 N ATOM 877 CA GLY A 54 0.603 7.480 8.344 1.00 62.32 C ATOM 878 C GLY A 54 -0.014 8.206 7.173 1.00 10.33 C ATOM 879 O GLY A 54 0.165 7.815 6.021 1.00 62.54 O ATOM 0 H GLY A 54 -0.184 5.744 7.489 1.00 71.24 H new ATOM 0 HA2 GLY A 54 0.235 7.913 9.274 1.00 62.32 H new ATOM 0 HA3 GLY A 54 1.683 7.624 8.331 1.00 62.32 H new ATOM 883 N GLY A 55 -0.752 9.258 7.470 1.00 61.05 N ATOM 884 CA GLY A 55 -1.379 10.048 6.433 1.00 53.30 C ATOM 885 C GLY A 55 -0.579 11.289 6.100 1.00 45.54 C ATOM 886 O GLY A 55 -0.836 12.367 6.641 1.00 62.42 O ATOM 0 H GLY A 55 -0.931 9.584 8.420 1.00 61.05 H new ATOM 0 HA2 GLY A 55 -1.495 9.441 5.535 1.00 53.30 H new ATOM 0 HA3 GLY A 55 -2.380 10.338 6.754 1.00 53.30 H new ATOM 890 N LEU A 56 0.400 11.135 5.224 1.00 23.04 N ATOM 891 CA LEU A 56 1.225 12.256 4.796 1.00 61.41 C ATOM 892 C LEU A 56 0.692 12.842 3.495 1.00 52.24 C ATOM 893 O LEU A 56 0.251 12.102 2.612 1.00 41.24 O ATOM 894 CB LEU A 56 2.688 11.828 4.617 1.00 14.21 C ATOM 895 CG LEU A 56 3.480 11.588 5.910 1.00 41.23 C ATOM 896 CD1 LEU A 56 3.024 10.320 6.614 1.00 52.40 C ATOM 897 CD2 LEU A 56 4.971 11.522 5.616 1.00 61.33 C ATOM 0 H LEU A 56 0.644 10.243 4.794 1.00 23.04 H new ATOM 0 HA LEU A 56 1.183 13.019 5.574 1.00 61.41 H new ATOM 0 HB2 LEU A 56 2.709 10.912 4.026 1.00 14.21 H new ATOM 0 HB3 LEU A 56 3.202 12.594 4.036 1.00 14.21 H new ATOM 0 HG LEU A 56 3.288 12.428 6.577 1.00 41.23 H new ATOM 0 HD11 LEU A 56 3.605 10.181 7.525 1.00 52.40 H new ATOM 0 HD12 LEU A 56 1.967 10.404 6.867 1.00 52.40 H new ATOM 0 HD13 LEU A 56 3.172 9.465 5.955 1.00 52.40 H new ATOM 0 HD21 LEU A 56 5.518 11.351 6.544 1.00 61.33 H new ATOM 0 HD22 LEU A 56 5.169 10.705 4.922 1.00 61.33 H new ATOM 0 HD23 LEU A 56 5.296 12.462 5.171 1.00 61.33 H new ATOM 909 N GLU A 57 0.741 14.170 3.397 1.00 40.44 N ATOM 910 CA GLU A 57 0.260 14.899 2.225 1.00 21.15 C ATOM 911 C GLU A 57 -1.214 14.595 1.972 1.00 15.23 C ATOM 912 O GLU A 57 -1.579 13.976 0.971 1.00 74.33 O ATOM 913 CB GLU A 57 1.100 14.565 0.986 1.00 12.42 C ATOM 914 CG GLU A 57 0.865 15.507 -0.185 1.00 15.54 C ATOM 915 CD GLU A 57 1.524 15.027 -1.459 1.00 72.33 C ATOM 916 OE1 GLU A 57 2.756 15.186 -1.600 1.00 72.24 O ATOM 917 OE2 GLU A 57 0.812 14.489 -2.331 1.00 25.32 O ATOM 0 H GLU A 57 1.116 14.772 4.130 1.00 40.44 H new ATOM 0 HA GLU A 57 0.364 15.965 2.425 1.00 21.15 H new ATOM 0 HB2 GLU A 57 2.156 14.592 1.256 1.00 12.42 H new ATOM 0 HB3 GLU A 57 0.877 13.546 0.671 1.00 12.42 H new ATOM 0 HG2 GLU A 57 -0.207 15.612 -0.352 1.00 15.54 H new ATOM 0 HG3 GLU A 57 1.247 16.496 0.067 1.00 15.54 H new ATOM 924 N HIS A 58 -2.062 15.022 2.894 1.00 63.35 N ATOM 925 CA HIS A 58 -3.483 14.758 2.784 1.00 22.32 C ATOM 926 C HIS A 58 -4.212 15.975 2.228 1.00 2.34 C ATOM 927 O HIS A 58 -4.773 16.777 2.973 1.00 74.14 O ATOM 928 CB HIS A 58 -4.067 14.349 4.143 1.00 30.52 C ATOM 929 CG HIS A 58 -5.472 13.831 4.064 1.00 1.33 C ATOM 930 ND1 HIS A 58 -5.769 12.509 3.816 1.00 5.03 N ATOM 931 CD2 HIS A 58 -6.663 14.462 4.194 1.00 12.21 C ATOM 932 CE1 HIS A 58 -7.077 12.350 3.794 1.00 31.30 C ATOM 933 NE2 HIS A 58 -7.644 13.518 4.022 1.00 61.13 N ATOM 0 H HIS A 58 -1.790 15.551 3.723 1.00 63.35 H new ATOM 0 HA HIS A 58 -3.624 13.928 2.091 1.00 22.32 H new ATOM 0 HB2 HIS A 58 -3.431 13.583 4.586 1.00 30.52 H new ATOM 0 HB3 HIS A 58 -4.043 15.209 4.812 1.00 30.52 H new ATOM 0 HD2 HIS A 58 -6.813 15.512 4.395 1.00 12.21 H new ATOM 0 HE1 HIS A 58 -7.597 11.420 3.619 1.00 31.30 H new ATOM 0 HE2 HIS A 58 -8.648 13.692 4.064 1.00 61.13 H new ATOM 942 N HIS A 59 -4.174 16.121 0.913 1.00 65.11 N ATOM 943 CA HIS A 59 -4.900 17.189 0.249 1.00 52.40 C ATOM 944 C HIS A 59 -5.564 16.642 -1.007 1.00 33.13 C ATOM 945 O HIS A 59 -4.982 15.827 -1.721 1.00 11.31 O ATOM 946 CB HIS A 59 -3.977 18.374 -0.086 1.00 75.44 C ATOM 947 CG HIS A 59 -3.077 18.170 -1.272 1.00 4.11 C ATOM 948 ND1 HIS A 59 -3.283 18.807 -2.476 1.00 61.20 N ATOM 949 CD2 HIS A 59 -1.961 17.419 -1.434 1.00 42.20 C ATOM 950 CE1 HIS A 59 -2.338 18.459 -3.327 1.00 2.24 C ATOM 951 NE2 HIS A 59 -1.520 17.618 -2.722 1.00 73.43 N ATOM 0 H HIS A 59 -3.648 15.513 0.285 1.00 65.11 H new ATOM 0 HA HIS A 59 -5.667 17.565 0.926 1.00 52.40 H new ATOM 0 HB2 HIS A 59 -4.594 19.255 -0.266 1.00 75.44 H new ATOM 0 HB3 HIS A 59 -3.359 18.590 0.786 1.00 75.44 H new ATOM 0 HD2 HIS A 59 -1.503 16.783 -0.691 1.00 42.20 H new ATOM 0 HE1 HIS A 59 -2.248 18.804 -4.347 1.00 2.24 H new ATOM 0 HE2 HIS A 59 -0.696 17.186 -3.141 1.00 73.43 H new ATOM 960 N HIS A 60 -6.784 17.074 -1.262 1.00 64.20 N ATOM 961 CA HIS A 60 -7.538 16.570 -2.399 1.00 34.53 C ATOM 962 C HIS A 60 -7.187 17.327 -3.668 1.00 63.22 C ATOM 963 O HIS A 60 -7.212 18.558 -3.700 1.00 63.52 O ATOM 964 CB HIS A 60 -9.042 16.667 -2.136 1.00 34.40 C ATOM 965 CG HIS A 60 -9.519 15.757 -1.048 1.00 14.41 C ATOM 966 ND1 HIS A 60 -9.702 16.174 0.250 1.00 65.32 N ATOM 967 CD2 HIS A 60 -9.844 14.443 -1.070 1.00 0.23 C ATOM 968 CE1 HIS A 60 -10.116 15.157 0.982 1.00 32.15 C ATOM 969 NE2 HIS A 60 -10.211 14.095 0.205 1.00 14.21 N ATOM 0 H HIS A 60 -7.275 17.770 -0.701 1.00 64.20 H new ATOM 0 HA HIS A 60 -7.269 15.523 -2.535 1.00 34.53 H new ATOM 0 HB2 HIS A 60 -9.291 17.695 -1.874 1.00 34.40 H new ATOM 0 HB3 HIS A 60 -9.579 16.434 -3.055 1.00 34.40 H new ATOM 0 HD2 HIS A 60 -9.819 13.791 -1.930 1.00 0.23 H new ATOM 0 HE1 HIS A 60 -10.339 15.189 2.038 1.00 32.15 H new ATOM 0 HE2 HIS A 60 -10.509 13.166 0.504 1.00 14.21 H new ATOM 978 N HIS A 61 -6.862 16.583 -4.715 1.00 71.42 N ATOM 979 CA HIS A 61 -6.602 17.172 -6.019 1.00 44.40 C ATOM 980 C HIS A 61 -7.929 17.293 -6.758 1.00 64.34 C ATOM 981 O HIS A 61 -8.155 16.644 -7.775 1.00 23.22 O ATOM 982 CB HIS A 61 -5.610 16.305 -6.814 1.00 22.21 C ATOM 983 CG HIS A 61 -5.016 16.975 -8.023 1.00 3.30 C ATOM 984 ND1 HIS A 61 -3.670 17.266 -8.133 1.00 4.24 N ATOM 985 CD2 HIS A 61 -5.583 17.396 -9.179 1.00 14.33 C ATOM 986 CE1 HIS A 61 -3.440 17.836 -9.300 1.00 65.21 C ATOM 987 NE2 HIS A 61 -4.582 17.924 -9.952 1.00 73.54 N ATOM 0 H HIS A 61 -6.772 15.567 -4.686 1.00 71.42 H new ATOM 0 HA HIS A 61 -6.153 18.158 -5.903 1.00 44.40 H new ATOM 0 HB2 HIS A 61 -4.801 16.001 -6.150 1.00 22.21 H new ATOM 0 HB3 HIS A 61 -6.119 15.395 -7.133 1.00 22.21 H new ATOM 0 HD2 HIS A 61 -6.628 17.328 -9.442 1.00 14.33 H new ATOM 0 HE1 HIS A 61 -2.479 18.173 -9.660 1.00 65.21 H new ATOM 0 HE2 HIS A 61 -4.702 18.322 -10.884 1.00 73.54 H new ATOM 996 N HIS A 62 -8.821 18.104 -6.211 1.00 13.12 N ATOM 997 CA HIS A 62 -10.179 18.205 -6.722 1.00 32.23 C ATOM 998 C HIS A 62 -10.749 19.584 -6.427 1.00 64.23 C ATOM 999 O HIS A 62 -11.080 19.897 -5.283 1.00 32.03 O ATOM 1000 CB HIS A 62 -11.060 17.122 -6.082 1.00 23.42 C ATOM 1001 CG HIS A 62 -12.456 17.058 -6.624 1.00 74.04 C ATOM 1002 ND1 HIS A 62 -13.527 17.697 -6.036 1.00 13.24 N ATOM 1003 CD2 HIS A 62 -12.958 16.398 -7.693 1.00 70.12 C ATOM 1004 CE1 HIS A 62 -14.623 17.431 -6.721 1.00 72.42 C ATOM 1005 NE2 HIS A 62 -14.308 16.645 -7.731 1.00 73.42 N ATOM 0 H HIS A 62 -8.628 18.704 -5.409 1.00 13.12 H new ATOM 0 HA HIS A 62 -10.162 18.057 -7.802 1.00 32.23 H new ATOM 0 HB2 HIS A 62 -10.583 16.152 -6.225 1.00 23.42 H new ATOM 0 HB3 HIS A 62 -11.108 17.299 -5.007 1.00 23.42 H new ATOM 0 HD2 HIS A 62 -12.400 15.789 -8.388 1.00 70.12 H new ATOM 0 HE1 HIS A 62 -15.613 17.796 -6.492 1.00 72.42 H new ATOM 0 HE2 HIS A 62 -14.960 16.280 -8.426 1.00 73.42 H new ATOM 1014 N HIS A 63 -10.850 20.403 -7.458 1.00 4.11 N ATOM 1015 CA HIS A 63 -11.377 21.750 -7.316 1.00 11.40 C ATOM 1016 C HIS A 63 -12.804 21.799 -7.841 1.00 31.45 C ATOM 1017 O HIS A 63 -12.992 21.581 -9.057 1.00 38.96 O ATOM 1018 CB HIS A 63 -10.499 22.752 -8.069 1.00 21.52 C ATOM 1019 CG HIS A 63 -10.890 24.185 -7.854 1.00 70.42 C ATOM 1020 ND1 HIS A 63 -11.814 24.848 -8.636 1.00 22.12 N ATOM 1021 CD2 HIS A 63 -10.460 25.088 -6.942 1.00 14.21 C ATOM 1022 CE1 HIS A 63 -11.932 26.092 -8.212 1.00 64.24 C ATOM 1023 NE2 HIS A 63 -11.123 26.263 -7.187 1.00 4.05 N ATOM 1024 OXT HIS A 63 -13.728 22.053 -7.043 1.00 38.96 O ATOM 0 H HIS A 63 -10.573 20.158 -8.408 1.00 4.11 H new ATOM 0 HA HIS A 63 -11.375 22.021 -6.260 1.00 11.40 H new ATOM 0 HB2 HIS A 63 -9.463 22.618 -7.758 1.00 21.52 H new ATOM 0 HB3 HIS A 63 -10.543 22.530 -9.135 1.00 21.52 H new ATOM 0 HD2 HIS A 63 -9.730 24.915 -6.165 1.00 14.21 H new ATOM 0 HE1 HIS A 63 -12.583 26.843 -8.634 1.00 64.24 H new ATOM 0 HE2 HIS A 63 -11.008 27.129 -6.661 1.00 4.05 H new TER 1033 HIS A 63