USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 640 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot -169:sc= 0.00875 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0443 USER MOD Single : A 17 THR OG1 : rot 54:sc= 0.0613 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 51:sc= 0.466 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -0.118 (180deg=-1.1) USER MOD Single : A 30 GLN : amide:sc= -0.789 K(o=-0.79,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -0.558 (180deg=-1.47) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 43 GLN : amide:sc= -4.75! C(o=-4.8!,f=-10!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0269) USER MOD Single : A 57 ASN : amide:sc= -3.09 X(o=-3.1,f=-3.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.29) USER MOD Single : A 70 THR OG1 : rot 121:sc= -0.781 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -146:sc= -2.31 (180deg=-8.81!) USER MOD Single : A 75 MET CE :methyl -177:sc= 0 (180deg=-0.0122) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 4.899 1.191 -3.075 1.00 65.44 N ATOM 19 CA ALA A 2 5.627 2.404 -3.426 1.00 61.12 C ATOM 20 C ALA A 2 4.669 3.529 -3.802 1.00 1.44 C ATOM 21 O ALA A 2 3.568 3.283 -4.295 1.00 60.54 O ATOM 22 CB ALA A 2 6.594 2.128 -4.568 1.00 72.03 C ATOM 0 HA ALA A 2 6.196 2.723 -2.552 1.00 61.12 H new ATOM 0 HB1 ALA A 2 7.131 3.043 -4.819 1.00 72.03 H new ATOM 0 HB2 ALA A 2 7.307 1.361 -4.264 1.00 72.03 H new ATOM 0 HB3 ALA A 2 6.038 1.782 -5.440 1.00 72.03 H new ATOM 28 N LEU A 3 5.094 4.765 -3.564 1.00 40.41 N ATOM 29 CA LEU A 3 4.273 5.930 -3.877 1.00 1.01 C ATOM 30 C LEU A 3 4.903 6.756 -4.994 1.00 0.23 C ATOM 31 O LEU A 3 5.905 7.445 -4.800 1.00 60.03 O ATOM 32 CB LEU A 3 4.085 6.796 -2.630 1.00 44.00 C ATOM 33 CG LEU A 3 2.665 6.864 -2.067 1.00 62.15 C ATOM 34 CD1 LEU A 3 2.639 7.674 -0.781 1.00 11.13 C ATOM 35 CD2 LEU A 3 1.713 7.459 -3.094 1.00 52.12 C ATOM 0 H LEU A 3 6.002 4.987 -3.155 1.00 40.41 H new ATOM 0 HA LEU A 3 3.299 5.577 -4.217 1.00 1.01 H new ATOM 0 HB2 LEU A 3 4.746 6.421 -1.849 1.00 44.00 H new ATOM 0 HB3 LEU A 3 4.410 7.810 -2.864 1.00 44.00 H new ATOM 0 HG LEU A 3 2.335 5.850 -1.840 1.00 62.15 H new ATOM 0 HD11 LEU A 3 1.620 7.711 -0.395 1.00 11.13 H new ATOM 0 HD12 LEU A 3 3.290 7.205 -0.043 1.00 11.13 H new ATOM 0 HD13 LEU A 3 2.988 8.687 -0.982 1.00 11.13 H new ATOM 0 HD21 LEU A 3 0.707 7.500 -2.677 1.00 52.12 H new ATOM 0 HD22 LEU A 3 2.040 8.466 -3.353 1.00 52.12 H new ATOM 0 HD23 LEU A 3 1.709 6.838 -3.990 1.00 52.12 H new ATOM 47 N PRO A 4 4.302 6.689 -6.191 1.00 21.01 N ATOM 48 CA PRO A 4 4.786 7.427 -7.362 1.00 35.32 C ATOM 49 C PRO A 4 4.571 8.930 -7.229 1.00 14.40 C ATOM 50 O PRO A 4 3.690 9.378 -6.494 1.00 55.35 O ATOM 51 CB PRO A 4 3.941 6.865 -8.508 1.00 40.04 C ATOM 52 CG PRO A 4 2.694 6.375 -7.856 1.00 45.21 C ATOM 53 CD PRO A 4 3.104 5.888 -6.494 1.00 11.24 C ATOM 0 HA PRO A 4 5.860 7.306 -7.506 1.00 35.32 H new ATOM 0 HB2 PRO A 4 3.724 7.631 -9.252 1.00 40.04 H new ATOM 0 HB3 PRO A 4 4.461 6.058 -9.024 1.00 40.04 H new ATOM 0 HG2 PRO A 4 1.954 7.172 -7.779 1.00 45.21 H new ATOM 0 HG3 PRO A 4 2.239 5.573 -8.437 1.00 45.21 H new ATOM 0 HD2 PRO A 4 2.317 6.047 -5.757 1.00 11.24 H new ATOM 0 HD3 PRO A 4 3.325 4.821 -6.499 1.00 11.24 H new ATOM 61 N ILE A 5 5.380 9.705 -7.944 1.00 21.52 N ATOM 62 CA ILE A 5 5.276 11.158 -7.906 1.00 65.11 C ATOM 63 C ILE A 5 5.734 11.776 -9.223 1.00 20.00 C ATOM 64 O ILE A 5 6.728 11.347 -9.809 1.00 44.01 O ATOM 65 CB ILE A 5 6.111 11.752 -6.756 1.00 14.21 C ATOM 66 CG1 ILE A 5 5.671 11.156 -5.417 1.00 51.21 C ATOM 67 CG2 ILE A 5 5.981 13.268 -6.735 1.00 75.15 C ATOM 68 CD1 ILE A 5 6.299 11.833 -4.219 1.00 21.11 C ATOM 0 H ILE A 5 6.115 9.351 -8.556 1.00 21.52 H new ATOM 0 HA ILE A 5 4.225 11.395 -7.742 1.00 65.11 H new ATOM 0 HB ILE A 5 7.159 11.499 -6.919 1.00 14.21 H new ATOM 0 HG12 ILE A 5 4.586 11.226 -5.336 1.00 51.21 H new ATOM 0 HG13 ILE A 5 5.924 10.096 -5.399 1.00 51.21 H new ATOM 0 HG21 ILE A 5 6.577 13.673 -5.917 1.00 75.15 H new ATOM 0 HG22 ILE A 5 6.337 13.677 -7.680 1.00 75.15 H new ATOM 0 HG23 ILE A 5 4.936 13.542 -6.593 1.00 75.15 H new ATOM 0 HD11 ILE A 5 5.942 11.359 -3.305 1.00 21.11 H new ATOM 0 HD12 ILE A 5 7.384 11.741 -4.276 1.00 21.11 H new ATOM 0 HD13 ILE A 5 6.025 12.888 -4.212 1.00 21.11 H new ATOM 80 N ILE A 6 5.003 12.786 -9.681 1.00 41.45 N ATOM 81 CA ILE A 6 5.336 13.465 -10.928 1.00 13.55 C ATOM 82 C ILE A 6 6.178 14.710 -10.668 1.00 14.15 C ATOM 83 O ILE A 6 5.939 15.445 -9.709 1.00 63.10 O ATOM 84 CB ILE A 6 4.069 13.870 -11.704 1.00 74.41 C ATOM 85 CG1 ILE A 6 3.461 12.651 -12.402 1.00 23.21 C ATOM 86 CG2 ILE A 6 4.392 14.959 -12.715 1.00 42.24 C ATOM 87 CD1 ILE A 6 1.952 12.594 -12.315 1.00 2.41 C ATOM 0 H ILE A 6 4.177 13.152 -9.208 1.00 41.45 H new ATOM 0 HA ILE A 6 5.910 12.759 -11.528 1.00 13.55 H new ATOM 0 HB ILE A 6 3.338 14.263 -10.997 1.00 74.41 H new ATOM 0 HG12 ILE A 6 3.756 12.659 -13.451 1.00 23.21 H new ATOM 0 HG13 ILE A 6 3.877 11.745 -11.961 1.00 23.21 H new ATOM 0 HG21 ILE A 6 3.486 15.234 -13.255 1.00 42.24 H new ATOM 0 HG22 ILE A 6 4.784 15.833 -12.195 1.00 42.24 H new ATOM 0 HG23 ILE A 6 5.137 14.591 -13.420 1.00 42.24 H new ATOM 0 HD11 ILE A 6 1.591 11.704 -12.831 1.00 2.41 H new ATOM 0 HD12 ILE A 6 1.649 12.554 -11.269 1.00 2.41 H new ATOM 0 HD13 ILE A 6 1.527 13.482 -12.782 1.00 2.41 H new ATOM 99 N VAL A 7 7.163 14.942 -11.529 1.00 70.01 N ATOM 100 CA VAL A 7 8.039 16.100 -11.395 1.00 22.40 C ATOM 101 C VAL A 7 8.081 16.910 -12.686 1.00 31.32 C ATOM 102 O VAL A 7 8.419 16.388 -13.749 1.00 2.53 O ATOM 103 CB VAL A 7 9.472 15.678 -11.020 1.00 3.23 C ATOM 104 CG1 VAL A 7 10.050 14.749 -12.076 1.00 50.25 C ATOM 105 CG2 VAL A 7 10.356 16.903 -10.834 1.00 32.40 C ATOM 0 H VAL A 7 7.375 14.343 -12.327 1.00 70.01 H new ATOM 0 HA VAL A 7 7.628 16.717 -10.596 1.00 22.40 H new ATOM 0 HB VAL A 7 9.437 15.136 -10.075 1.00 3.23 H new ATOM 0 HG11 VAL A 7 11.063 14.462 -11.793 1.00 50.25 H new ATOM 0 HG12 VAL A 7 9.429 13.857 -12.155 1.00 50.25 H new ATOM 0 HG13 VAL A 7 10.073 15.261 -13.038 1.00 50.25 H new ATOM 0 HG21 VAL A 7 11.365 16.587 -10.569 1.00 32.40 H new ATOM 0 HG22 VAL A 7 10.386 17.474 -11.762 1.00 32.40 H new ATOM 0 HG23 VAL A 7 9.951 17.527 -10.037 1.00 32.40 H new ATOM 115 N LYS A 8 7.735 18.189 -12.586 1.00 62.24 N ATOM 116 CA LYS A 8 7.734 19.074 -13.745 1.00 63.11 C ATOM 117 C LYS A 8 8.883 20.074 -13.667 1.00 25.22 C ATOM 118 O LYS A 8 8.950 20.886 -12.744 1.00 54.34 O ATOM 119 CB LYS A 8 6.401 19.819 -13.842 1.00 43.42 C ATOM 120 CG LYS A 8 6.110 20.703 -12.642 1.00 13.03 C ATOM 121 CD LYS A 8 4.616 20.827 -12.390 1.00 24.32 C ATOM 122 CE LYS A 8 3.952 21.734 -13.414 1.00 12.24 C ATOM 123 NZ LYS A 8 3.627 23.070 -12.842 1.00 54.41 N ATOM 0 H LYS A 8 7.452 18.636 -11.714 1.00 62.24 H new ATOM 0 HA LYS A 8 7.868 18.463 -14.638 1.00 63.11 H new ATOM 0 HB2 LYS A 8 6.402 20.432 -14.743 1.00 43.42 H new ATOM 0 HB3 LYS A 8 5.596 19.093 -13.952 1.00 43.42 H new ATOM 0 HG2 LYS A 8 6.596 20.290 -11.758 1.00 13.03 H new ATOM 0 HG3 LYS A 8 6.536 21.693 -12.806 1.00 13.03 H new ATOM 0 HD2 LYS A 8 4.157 19.839 -12.425 1.00 24.32 H new ATOM 0 HD3 LYS A 8 4.446 21.222 -11.388 1.00 24.32 H new ATOM 0 HE2 LYS A 8 4.612 21.857 -14.273 1.00 12.24 H new ATOM 0 HE3 LYS A 8 3.039 21.263 -13.779 1.00 12.24 H new ATOM 0 HZ1 LYS A 8 3.176 23.659 -13.571 1.00 54.41 H new ATOM 0 HZ2 LYS A 8 2.977 22.955 -12.038 1.00 54.41 H new ATOM 0 HZ3 LYS A 8 4.501 23.530 -12.517 1.00 54.41 H new ATOM 137 N TRP A 9 9.785 20.009 -14.640 1.00 12.30 N ATOM 138 CA TRP A 9 10.931 20.911 -14.681 1.00 73.32 C ATOM 139 C TRP A 9 10.963 21.690 -15.991 1.00 42.22 C ATOM 140 O TRP A 9 11.285 21.141 -17.044 1.00 31.53 O ATOM 141 CB TRP A 9 12.231 20.124 -14.509 1.00 70.02 C ATOM 142 CG TRP A 9 13.431 20.833 -15.060 1.00 24.24 C ATOM 143 CD1 TRP A 9 14.250 20.400 -16.064 1.00 13.12 C ATOM 144 CD2 TRP A 9 13.949 22.098 -14.635 1.00 11.32 C ATOM 145 NE1 TRP A 9 15.245 21.320 -16.289 1.00 11.53 N ATOM 146 CE2 TRP A 9 15.082 22.372 -15.426 1.00 20.33 C ATOM 147 CE3 TRP A 9 13.564 23.028 -13.665 1.00 63.00 C ATOM 148 CZ2 TRP A 9 15.832 23.535 -15.274 1.00 24.31 C ATOM 149 CZ3 TRP A 9 14.310 24.182 -13.515 1.00 63.44 C ATOM 150 CH2 TRP A 9 15.433 24.427 -14.317 1.00 2.43 C ATOM 0 H TRP A 9 9.745 19.342 -15.411 1.00 12.30 H new ATOM 0 HA TRP A 9 10.833 21.621 -13.860 1.00 73.32 H new ATOM 0 HB2 TRP A 9 12.390 19.926 -13.449 1.00 70.02 H new ATOM 0 HB3 TRP A 9 12.130 19.157 -15.003 1.00 70.02 H new ATOM 0 HD1 TRP A 9 14.132 19.471 -16.602 1.00 13.12 H new ATOM 0 HE1 TRP A 9 15.985 21.234 -16.986 1.00 11.53 H new ATOM 0 HE3 TRP A 9 12.699 22.848 -13.044 1.00 63.00 H new ATOM 0 HZ2 TRP A 9 16.698 23.726 -15.890 1.00 24.31 H new ATOM 0 HZ3 TRP A 9 14.023 24.907 -12.768 1.00 63.44 H new ATOM 0 HH2 TRP A 9 15.995 25.339 -14.176 1.00 2.43 H new ATOM 161 N GLY A 10 10.628 22.975 -15.919 1.00 71.12 N ATOM 162 CA GLY A 10 10.626 23.809 -17.107 1.00 74.41 C ATOM 163 C GLY A 10 9.256 23.897 -17.751 1.00 0.24 C ATOM 164 O GLY A 10 8.529 24.868 -17.547 1.00 54.35 O ATOM 0 H GLY A 10 10.358 23.453 -15.059 1.00 71.12 H new ATOM 0 HA2 GLY A 10 10.966 24.811 -16.844 1.00 74.41 H new ATOM 0 HA3 GLY A 10 11.338 23.410 -17.829 1.00 74.41 H new ATOM 168 N GLY A 11 8.904 22.880 -18.531 1.00 54.25 N ATOM 169 CA GLY A 11 7.614 22.868 -19.197 1.00 31.14 C ATOM 170 C GLY A 11 7.151 21.465 -19.538 1.00 40.51 C ATOM 171 O GLY A 11 6.294 21.282 -20.402 1.00 34.35 O ATOM 0 H GLY A 11 9.488 22.064 -18.714 1.00 54.25 H new ATOM 0 HA2 GLY A 11 6.873 23.346 -18.556 1.00 31.14 H new ATOM 0 HA3 GLY A 11 7.675 23.460 -20.111 1.00 31.14 H new ATOM 175 N GLN A 12 7.721 20.474 -18.860 1.00 52.41 N ATOM 176 CA GLN A 12 7.363 19.081 -19.099 1.00 15.31 C ATOM 177 C GLN A 12 7.032 18.372 -17.790 1.00 14.32 C ATOM 178 O GLN A 12 7.153 18.952 -16.711 1.00 43.45 O ATOM 179 CB GLN A 12 8.504 18.354 -19.812 1.00 52.21 C ATOM 180 CG GLN A 12 8.441 18.462 -21.327 1.00 42.01 C ATOM 181 CD GLN A 12 7.461 17.483 -21.942 1.00 35.12 C ATOM 182 OE1 GLN A 12 6.258 17.741 -21.993 1.00 34.22 O ATOM 183 NE2 GLN A 12 7.970 16.351 -22.413 1.00 45.12 N ATOM 0 H GLN A 12 8.432 20.610 -18.141 1.00 52.41 H new ATOM 0 HA GLN A 12 6.478 19.064 -19.735 1.00 15.31 H new ATOM 0 HB2 GLN A 12 9.455 18.760 -19.466 1.00 52.21 H new ATOM 0 HB3 GLN A 12 8.485 17.301 -19.530 1.00 52.21 H new ATOM 0 HG2 GLN A 12 8.156 19.477 -21.603 1.00 42.01 H new ATOM 0 HG3 GLN A 12 9.434 18.285 -21.742 1.00 42.01 H new ATOM 0 HE21 GLN A 12 8.973 16.178 -22.350 1.00 45.12 H new ATOM 0 HE22 GLN A 12 7.358 15.654 -22.838 1.00 45.12 H new ATOM 192 N GLU A 13 6.612 17.115 -17.893 1.00 25.11 N ATOM 193 CA GLU A 13 6.263 16.328 -16.716 1.00 70.01 C ATOM 194 C GLU A 13 6.910 14.947 -16.773 1.00 51.12 C ATOM 195 O GLU A 13 6.985 14.328 -17.835 1.00 35.02 O ATOM 196 CB GLU A 13 4.744 16.187 -16.602 1.00 54.12 C ATOM 197 CG GLU A 13 4.030 17.499 -16.322 1.00 30.10 C ATOM 198 CD GLU A 13 2.524 17.340 -16.249 1.00 32.32 C ATOM 199 OE1 GLU A 13 2.053 16.186 -16.164 1.00 23.20 O ATOM 200 OE2 GLU A 13 1.816 18.368 -16.277 1.00 32.23 O ATOM 0 H GLU A 13 6.505 16.620 -18.779 1.00 25.11 H new ATOM 0 HA GLU A 13 6.640 16.850 -15.837 1.00 70.01 H new ATOM 0 HB2 GLU A 13 4.356 15.763 -17.528 1.00 54.12 H new ATOM 0 HB3 GLU A 13 4.512 15.480 -15.806 1.00 54.12 H new ATOM 0 HG2 GLU A 13 4.394 17.913 -15.381 1.00 30.10 H new ATOM 0 HG3 GLU A 13 4.278 18.217 -17.103 1.00 30.10 H new ATOM 207 N TYR A 14 7.377 14.471 -15.624 1.00 53.32 N ATOM 208 CA TYR A 14 8.020 13.165 -15.543 1.00 2.42 C ATOM 209 C TYR A 14 7.531 12.392 -14.322 1.00 50.11 C ATOM 210 O TYR A 14 7.698 12.834 -13.185 1.00 62.14 O ATOM 211 CB TYR A 14 9.540 13.325 -15.484 1.00 3.55 C ATOM 212 CG TYR A 14 10.123 14.027 -16.690 1.00 32.42 C ATOM 213 CD1 TYR A 14 10.056 15.409 -16.814 1.00 35.11 C ATOM 214 CD2 TYR A 14 10.739 13.307 -17.706 1.00 5.02 C ATOM 215 CE1 TYR A 14 10.586 16.054 -17.915 1.00 32.04 C ATOM 216 CE2 TYR A 14 11.274 13.944 -18.809 1.00 73.32 C ATOM 217 CZ TYR A 14 11.194 15.317 -18.909 1.00 42.12 C ATOM 218 OH TYR A 14 11.724 15.955 -20.007 1.00 71.15 O ATOM 0 H TYR A 14 7.322 14.970 -14.736 1.00 53.32 H new ATOM 0 HA TYR A 14 7.755 12.601 -16.437 1.00 2.42 H new ATOM 0 HB2 TYR A 14 9.803 13.884 -14.586 1.00 3.55 H new ATOM 0 HB3 TYR A 14 9.997 12.340 -15.391 1.00 3.55 H new ATOM 0 HD1 TYR A 14 9.581 15.989 -16.036 1.00 35.11 H new ATOM 0 HD2 TYR A 14 10.801 12.231 -17.632 1.00 5.02 H new ATOM 0 HE1 TYR A 14 10.524 17.129 -17.996 1.00 32.04 H new ATOM 0 HE2 TYR A 14 11.752 13.370 -19.589 1.00 73.32 H new ATOM 0 HH TYR A 14 12.117 15.292 -20.613 1.00 71.15 H new ATOM 228 N SER A 15 6.926 11.234 -14.567 1.00 0.13 N ATOM 229 CA SER A 15 6.409 10.399 -13.489 1.00 10.12 C ATOM 230 C SER A 15 7.517 9.539 -12.889 1.00 31.12 C ATOM 231 O SER A 15 8.304 8.928 -13.611 1.00 64.32 O ATOM 232 CB SER A 15 5.278 9.507 -14.004 1.00 13.30 C ATOM 233 OG SER A 15 5.551 9.043 -15.315 1.00 30.24 O ATOM 0 H SER A 15 6.782 10.853 -15.502 1.00 0.13 H new ATOM 0 HA SER A 15 6.019 11.054 -12.710 1.00 10.12 H new ATOM 0 HB2 SER A 15 5.147 8.657 -13.334 1.00 13.30 H new ATOM 0 HB3 SER A 15 4.341 10.064 -14.000 1.00 13.30 H new ATOM 0 HG SER A 15 4.814 8.474 -15.621 1.00 30.24 H new ATOM 239 N VAL A 16 7.571 9.497 -11.561 1.00 64.53 N ATOM 240 CA VAL A 16 8.581 8.711 -10.862 1.00 44.03 C ATOM 241 C VAL A 16 8.058 7.320 -10.523 1.00 31.01 C ATOM 242 O VAL A 16 6.948 7.169 -10.010 1.00 5.41 O ATOM 243 CB VAL A 16 9.036 9.407 -9.566 1.00 14.24 C ATOM 244 CG1 VAL A 16 10.039 8.542 -8.818 1.00 44.44 C ATOM 245 CG2 VAL A 16 9.624 10.776 -9.874 1.00 32.30 C ATOM 0 H VAL A 16 6.927 9.998 -10.948 1.00 64.53 H new ATOM 0 HA VAL A 16 9.433 8.621 -11.535 1.00 44.03 H new ATOM 0 HB VAL A 16 8.165 9.547 -8.925 1.00 14.24 H new ATOM 0 HG11 VAL A 16 10.349 9.051 -7.905 1.00 44.44 H new ATOM 0 HG12 VAL A 16 9.578 7.588 -8.563 1.00 44.44 H new ATOM 0 HG13 VAL A 16 10.910 8.367 -9.449 1.00 44.44 H new ATOM 0 HG21 VAL A 16 9.940 11.253 -8.946 1.00 32.30 H new ATOM 0 HG22 VAL A 16 10.483 10.663 -10.535 1.00 32.30 H new ATOM 0 HG23 VAL A 16 8.870 11.394 -10.362 1.00 32.30 H new ATOM 255 N THR A 17 8.864 6.303 -10.812 1.00 43.30 N ATOM 256 CA THR A 17 8.483 4.924 -10.538 1.00 71.54 C ATOM 257 C THR A 17 9.699 4.078 -10.180 1.00 23.33 C ATOM 258 O THR A 17 10.360 3.517 -11.055 1.00 54.43 O ATOM 259 CB THR A 17 7.768 4.288 -11.746 1.00 0.21 C ATOM 260 OG1 THR A 17 8.438 4.651 -12.958 1.00 62.33 O ATOM 261 CG2 THR A 17 6.315 4.734 -11.811 1.00 1.32 C ATOM 0 H THR A 17 9.786 6.409 -11.236 1.00 43.30 H new ATOM 0 HA THR A 17 7.798 4.948 -9.690 1.00 71.54 H new ATOM 0 HB THR A 17 7.794 3.205 -11.627 1.00 0.21 H new ATOM 0 HG1 THR A 17 9.389 4.426 -12.886 1.00 62.33 H new ATOM 0 HG21 THR A 17 5.831 4.272 -12.672 1.00 1.32 H new ATOM 0 HG22 THR A 17 5.800 4.431 -10.899 1.00 1.32 H new ATOM 0 HG23 THR A 17 6.271 5.819 -11.909 1.00 1.32 H new ATOM 269 N THR A 18 9.991 3.988 -8.886 1.00 23.13 N ATOM 270 CA THR A 18 11.129 3.210 -8.411 1.00 51.41 C ATOM 271 C THR A 18 11.285 3.331 -6.899 1.00 73.55 C ATOM 272 O THR A 18 11.732 2.395 -6.235 1.00 34.33 O ATOM 273 CB THR A 18 12.438 3.659 -9.088 1.00 12.30 C ATOM 274 OG1 THR A 18 13.560 3.060 -8.430 1.00 52.05 O ATOM 275 CG2 THR A 18 12.573 5.174 -9.053 1.00 51.15 C ATOM 0 H THR A 18 9.455 4.444 -8.148 1.00 23.13 H new ATOM 0 HA THR A 18 10.932 2.170 -8.671 1.00 51.41 H new ATOM 0 HB THR A 18 12.413 3.336 -10.129 1.00 12.30 H new ATOM 0 HG1 THR A 18 14.388 3.349 -8.867 1.00 52.05 H new ATOM 0 HG21 THR A 18 13.505 5.468 -9.537 1.00 51.15 H new ATOM 0 HG22 THR A 18 11.733 5.626 -9.579 1.00 51.15 H new ATOM 0 HG23 THR A 18 12.579 5.515 -8.018 1.00 51.15 H new ATOM 283 N LEU A 19 10.913 4.487 -6.361 1.00 63.23 N ATOM 284 CA LEU A 19 11.011 4.729 -4.926 1.00 41.21 C ATOM 285 C LEU A 19 9.748 4.266 -4.208 1.00 75.22 C ATOM 286 O LEU A 19 8.714 4.036 -4.836 1.00 12.11 O ATOM 287 CB LEU A 19 11.249 6.216 -4.655 1.00 62.30 C ATOM 288 CG LEU A 19 12.622 6.584 -4.092 1.00 65.30 C ATOM 289 CD1 LEU A 19 13.464 7.280 -5.150 1.00 62.22 C ATOM 290 CD2 LEU A 19 12.475 7.465 -2.860 1.00 41.23 C ATOM 0 H LEU A 19 10.541 5.271 -6.897 1.00 63.23 H new ATOM 0 HA LEU A 19 11.855 4.156 -4.543 1.00 41.21 H new ATOM 0 HB2 LEU A 19 11.102 6.763 -5.586 1.00 62.30 H new ATOM 0 HB3 LEU A 19 10.487 6.564 -3.957 1.00 62.30 H new ATOM 0 HG LEU A 19 13.131 5.666 -3.799 1.00 65.30 H new ATOM 0 HD11 LEU A 19 14.438 7.534 -4.731 1.00 62.22 H new ATOM 0 HD12 LEU A 19 13.599 6.615 -6.003 1.00 62.22 H new ATOM 0 HD13 LEU A 19 12.960 8.190 -5.475 1.00 62.22 H new ATOM 0 HD21 LEU A 19 13.462 7.717 -2.473 1.00 41.23 H new ATOM 0 HD22 LEU A 19 11.946 8.380 -3.128 1.00 41.23 H new ATOM 0 HD23 LEU A 19 11.911 6.930 -2.096 1.00 41.23 H new ATOM 302 N SER A 20 9.838 4.133 -2.889 1.00 32.52 N ATOM 303 CA SER A 20 8.702 3.695 -2.085 1.00 43.22 C ATOM 304 C SER A 20 8.574 4.539 -0.821 1.00 4.23 C ATOM 305 O SER A 20 9.418 5.391 -0.543 1.00 52.00 O ATOM 306 CB SER A 20 8.852 2.219 -1.714 1.00 30.34 C ATOM 307 OG SER A 20 10.185 1.778 -1.904 1.00 22.43 O ATOM 0 H SER A 20 10.685 4.322 -2.354 1.00 32.52 H new ATOM 0 HA SER A 20 7.797 3.822 -2.679 1.00 43.22 H new ATOM 0 HB2 SER A 20 8.562 2.071 -0.674 1.00 30.34 H new ATOM 0 HB3 SER A 20 8.177 1.618 -2.322 1.00 30.34 H new ATOM 0 HG SER A 20 10.801 2.397 -1.459 1.00 22.43 H new ATOM 313 N GLU A 21 7.513 4.295 -0.059 1.00 11.04 N ATOM 314 CA GLU A 21 7.274 5.033 1.176 1.00 12.11 C ATOM 315 C GLU A 21 8.371 4.752 2.199 1.00 52.20 C ATOM 316 O GLU A 21 8.569 5.522 3.139 1.00 23.22 O ATOM 317 CB GLU A 21 5.909 4.664 1.761 1.00 20.41 C ATOM 318 CG GLU A 21 4.764 4.810 0.773 1.00 33.34 C ATOM 319 CD GLU A 21 3.482 4.168 1.268 1.00 54.32 C ATOM 320 OE1 GLU A 21 3.242 4.191 2.493 1.00 21.33 O ATOM 321 OE2 GLU A 21 2.718 3.644 0.430 1.00 4.11 O ATOM 0 H GLU A 21 6.806 3.593 -0.275 1.00 11.04 H new ATOM 0 HA GLU A 21 7.285 6.097 0.941 1.00 12.11 H new ATOM 0 HB2 GLU A 21 5.942 3.634 2.117 1.00 20.41 H new ATOM 0 HB3 GLU A 21 5.712 5.294 2.628 1.00 20.41 H new ATOM 0 HG2 GLU A 21 4.586 5.868 0.582 1.00 33.34 H new ATOM 0 HG3 GLU A 21 5.049 4.358 -0.177 1.00 33.34 H new ATOM 328 N ASP A 22 9.079 3.645 2.008 1.00 24.15 N ATOM 329 CA ASP A 22 10.157 3.261 2.913 1.00 12.54 C ATOM 330 C ASP A 22 11.347 4.205 2.771 1.00 24.51 C ATOM 331 O ASP A 22 12.272 4.180 3.583 1.00 23.43 O ATOM 332 CB ASP A 22 10.595 1.822 2.638 1.00 13.13 C ATOM 333 CG ASP A 22 10.553 0.957 3.882 1.00 23.52 C ATOM 334 OD1 ASP A 22 11.153 1.355 4.903 1.00 14.11 O ATOM 335 OD2 ASP A 22 9.921 -0.119 3.835 1.00 32.03 O ATOM 0 H ASP A 22 8.926 2.997 1.235 1.00 24.15 H new ATOM 0 HA ASP A 22 9.782 3.329 3.934 1.00 12.54 H new ATOM 0 HB2 ASP A 22 9.949 1.388 1.875 1.00 13.13 H new ATOM 0 HB3 ASP A 22 11.608 1.824 2.234 1.00 13.13 H new ATOM 340 N ASP A 23 11.318 5.034 1.734 1.00 71.12 N ATOM 341 CA ASP A 23 12.395 5.985 1.485 1.00 54.43 C ATOM 342 C ASP A 23 12.054 7.355 2.063 1.00 53.33 C ATOM 343 O ASP A 23 11.300 7.463 3.030 1.00 13.35 O ATOM 344 CB ASP A 23 12.662 6.104 -0.017 1.00 22.34 C ATOM 345 CG ASP A 23 12.714 4.753 -0.704 1.00 0.34 C ATOM 346 OD1 ASP A 23 11.651 4.110 -0.827 1.00 22.31 O ATOM 347 OD2 ASP A 23 13.818 4.340 -1.117 1.00 74.42 O ATOM 0 H ASP A 23 10.560 5.067 1.052 1.00 71.12 H new ATOM 0 HA ASP A 23 13.294 5.616 1.978 1.00 54.43 H new ATOM 0 HB2 ASP A 23 11.881 6.712 -0.475 1.00 22.34 H new ATOM 0 HB3 ASP A 23 13.606 6.626 -0.175 1.00 22.34 H new ATOM 352 N THR A 24 12.615 8.401 1.464 1.00 50.22 N ATOM 353 CA THR A 24 12.373 9.764 1.920 1.00 53.00 C ATOM 354 C THR A 24 12.141 10.705 0.743 1.00 21.31 C ATOM 355 O THR A 24 12.426 10.362 -0.404 1.00 60.34 O ATOM 356 CB THR A 24 13.550 10.293 2.761 1.00 30.50 C ATOM 357 OG1 THR A 24 14.725 9.517 2.501 1.00 61.21 O ATOM 358 CG2 THR A 24 13.221 10.241 4.245 1.00 14.33 C ATOM 0 H THR A 24 13.240 8.330 0.661 1.00 50.22 H new ATOM 0 HA THR A 24 11.477 9.735 2.540 1.00 53.00 H new ATOM 0 HB THR A 24 13.730 11.331 2.481 1.00 30.50 H new ATOM 0 HG1 THR A 24 15.469 9.860 3.038 1.00 61.21 H new ATOM 0 HG21 THR A 24 14.067 10.619 4.819 1.00 14.33 H new ATOM 0 HG22 THR A 24 12.343 10.855 4.445 1.00 14.33 H new ATOM 0 HG23 THR A 24 13.017 9.211 4.537 1.00 14.33 H new ATOM 366 N VAL A 25 11.623 11.894 1.035 1.00 70.43 N ATOM 367 CA VAL A 25 11.355 12.885 0.000 1.00 13.42 C ATOM 368 C VAL A 25 12.626 13.244 -0.760 1.00 64.34 C ATOM 369 O VAL A 25 12.625 13.330 -1.989 1.00 54.42 O ATOM 370 CB VAL A 25 10.748 14.169 0.597 1.00 73.10 C ATOM 371 CG1 VAL A 25 10.350 15.136 -0.508 1.00 62.30 C ATOM 372 CG2 VAL A 25 9.554 13.833 1.478 1.00 12.40 C ATOM 0 H VAL A 25 11.381 12.194 1.979 1.00 70.43 H new ATOM 0 HA VAL A 25 10.638 12.438 -0.688 1.00 13.42 H new ATOM 0 HB VAL A 25 11.503 14.654 1.216 1.00 73.10 H new ATOM 0 HG11 VAL A 25 9.923 16.037 -0.067 1.00 62.30 H new ATOM 0 HG12 VAL A 25 11.230 15.401 -1.094 1.00 62.30 H new ATOM 0 HG13 VAL A 25 9.611 14.664 -1.156 1.00 62.30 H new ATOM 0 HG21 VAL A 25 9.137 14.751 1.892 1.00 12.40 H new ATOM 0 HG22 VAL A 25 8.794 13.325 0.883 1.00 12.40 H new ATOM 0 HG23 VAL A 25 9.874 13.181 2.291 1.00 12.40 H new ATOM 382 N LEU A 26 13.712 13.451 -0.023 1.00 33.21 N ATOM 383 CA LEU A 26 14.993 13.800 -0.628 1.00 34.44 C ATOM 384 C LEU A 26 15.504 12.666 -1.511 1.00 43.41 C ATOM 385 O LEU A 26 16.203 12.902 -2.497 1.00 61.40 O ATOM 386 CB LEU A 26 16.021 14.119 0.458 1.00 4.24 C ATOM 387 CG LEU A 26 16.989 12.991 0.819 1.00 12.43 C ATOM 388 CD1 LEU A 26 18.202 13.015 -0.098 1.00 33.53 C ATOM 389 CD2 LEU A 26 17.417 13.101 2.276 1.00 54.35 C ATOM 0 H LEU A 26 13.731 13.383 0.995 1.00 33.21 H new ATOM 0 HA LEU A 26 14.846 14.682 -1.251 1.00 34.44 H new ATOM 0 HB2 LEU A 26 16.604 14.982 0.136 1.00 4.24 H new ATOM 0 HB3 LEU A 26 15.486 14.415 1.361 1.00 4.24 H new ATOM 0 HG LEU A 26 16.475 12.039 0.683 1.00 12.43 H new ATOM 0 HD11 LEU A 26 18.880 12.206 0.174 1.00 33.53 H new ATOM 0 HD12 LEU A 26 17.880 12.887 -1.131 1.00 33.53 H new ATOM 0 HD13 LEU A 26 18.718 13.970 0.005 1.00 33.53 H new ATOM 0 HD21 LEU A 26 18.105 12.290 2.515 1.00 54.35 H new ATOM 0 HD22 LEU A 26 17.913 14.058 2.438 1.00 54.35 H new ATOM 0 HD23 LEU A 26 16.540 13.033 2.919 1.00 54.35 H new ATOM 401 N ASP A 27 15.150 11.437 -1.152 1.00 50.42 N ATOM 402 CA ASP A 27 15.570 10.267 -1.914 1.00 44.21 C ATOM 403 C ASP A 27 14.839 10.198 -3.251 1.00 32.30 C ATOM 404 O ASP A 27 15.402 9.765 -4.257 1.00 60.43 O ATOM 405 CB ASP A 27 15.314 8.991 -1.112 1.00 24.35 C ATOM 406 CG ASP A 27 16.238 7.858 -1.515 1.00 53.03 C ATOM 407 OD1 ASP A 27 17.370 7.800 -0.992 1.00 22.13 O ATOM 408 OD2 ASP A 27 15.828 7.029 -2.354 1.00 54.23 O ATOM 0 H ASP A 27 14.573 11.225 -0.338 1.00 50.42 H new ATOM 0 HA ASP A 27 16.639 10.356 -2.109 1.00 44.21 H new ATOM 0 HB2 ASP A 27 15.443 9.201 -0.050 1.00 24.35 H new ATOM 0 HB3 ASP A 27 14.279 8.679 -1.252 1.00 24.35 H new ATOM 413 N LEU A 28 13.581 10.626 -3.254 1.00 63.42 N ATOM 414 CA LEU A 28 12.771 10.611 -4.467 1.00 43.15 C ATOM 415 C LEU A 28 13.123 11.788 -5.371 1.00 42.51 C ATOM 416 O LEU A 28 13.333 11.622 -6.573 1.00 1.02 O ATOM 417 CB LEU A 28 11.284 10.653 -4.112 1.00 1.11 C ATOM 418 CG LEU A 28 10.318 10.222 -5.216 1.00 33.03 C ATOM 419 CD1 LEU A 28 9.669 8.891 -4.868 1.00 24.02 C ATOM 420 CD2 LEU A 28 9.258 11.290 -5.444 1.00 30.02 C ATOM 0 H LEU A 28 13.100 10.988 -2.430 1.00 63.42 H new ATOM 0 HA LEU A 28 12.984 9.687 -5.005 1.00 43.15 H new ATOM 0 HB2 LEU A 28 11.120 10.015 -3.244 1.00 1.11 H new ATOM 0 HB3 LEU A 28 11.031 11.670 -3.812 1.00 1.11 H new ATOM 0 HG LEU A 28 10.884 10.097 -6.139 1.00 33.03 H new ATOM 0 HD11 LEU A 28 8.985 8.600 -5.665 1.00 24.02 H new ATOM 0 HD12 LEU A 28 10.440 8.129 -4.756 1.00 24.02 H new ATOM 0 HD13 LEU A 28 9.117 8.989 -3.933 1.00 24.02 H new ATOM 0 HD21 LEU A 28 8.579 10.966 -6.233 1.00 30.02 H new ATOM 0 HD22 LEU A 28 8.696 11.447 -4.523 1.00 30.02 H new ATOM 0 HD23 LEU A 28 9.739 12.223 -5.739 1.00 30.02 H new ATOM 432 N LYS A 29 13.188 12.979 -4.785 1.00 21.03 N ATOM 433 CA LYS A 29 13.518 14.185 -5.535 1.00 22.02 C ATOM 434 C LYS A 29 14.919 14.089 -6.131 1.00 30.32 C ATOM 435 O LYS A 29 15.101 14.248 -7.337 1.00 64.14 O ATOM 436 CB LYS A 29 13.421 15.416 -4.630 1.00 72.43 C ATOM 437 CG LYS A 29 12.088 16.138 -4.728 1.00 22.15 C ATOM 438 CD LYS A 29 11.119 15.667 -3.656 1.00 42.00 C ATOM 439 CE LYS A 29 10.202 14.571 -4.177 1.00 12.31 C ATOM 440 NZ LYS A 29 8.773 14.989 -4.159 1.00 14.33 N ATOM 0 H LYS A 29 13.016 13.135 -3.792 1.00 21.03 H new ATOM 0 HA LYS A 29 12.801 14.283 -6.350 1.00 22.02 H new ATOM 0 HB2 LYS A 29 13.585 15.111 -3.596 1.00 72.43 H new ATOM 0 HB3 LYS A 29 14.221 16.110 -4.888 1.00 72.43 H new ATOM 0 HG2 LYS A 29 12.247 17.212 -4.630 1.00 22.15 H new ATOM 0 HG3 LYS A 29 11.653 15.969 -5.713 1.00 22.15 H new ATOM 0 HD2 LYS A 29 11.678 15.297 -2.796 1.00 42.00 H new ATOM 0 HD3 LYS A 29 10.521 16.509 -3.309 1.00 42.00 H new ATOM 0 HE2 LYS A 29 10.491 14.309 -5.195 1.00 12.31 H new ATOM 0 HE3 LYS A 29 10.326 13.674 -3.570 1.00 12.31 H new ATOM 0 HZ1 LYS A 29 8.265 14.522 -4.937 1.00 14.33 H new ATOM 0 HZ2 LYS A 29 8.343 14.716 -3.252 1.00 14.33 H new ATOM 0 HZ3 LYS A 29 8.712 16.021 -4.275 1.00 14.33 H new ATOM 454 N GLN A 30 15.903 13.826 -5.277 1.00 45.05 N ATOM 455 CA GLN A 30 17.287 13.708 -5.721 1.00 63.14 C ATOM 456 C GLN A 30 17.422 12.646 -6.807 1.00 72.54 C ATOM 457 O GLN A 30 18.370 12.662 -7.593 1.00 11.33 O ATOM 458 CB GLN A 30 18.197 13.365 -4.540 1.00 75.51 C ATOM 459 CG GLN A 30 18.229 11.881 -4.208 1.00 53.41 C ATOM 460 CD GLN A 30 19.376 11.157 -4.884 1.00 72.33 C ATOM 461 OE1 GLN A 30 20.168 11.762 -5.606 1.00 45.31 O ATOM 462 NE2 GLN A 30 19.471 9.852 -4.654 1.00 15.55 N ATOM 0 H GLN A 30 15.768 13.691 -4.275 1.00 45.05 H new ATOM 0 HA GLN A 30 17.591 14.668 -6.138 1.00 63.14 H new ATOM 0 HB2 GLN A 30 19.210 13.701 -4.763 1.00 75.51 H new ATOM 0 HB3 GLN A 30 17.863 13.918 -3.662 1.00 75.51 H new ATOM 0 HG2 GLN A 30 18.311 11.756 -3.128 1.00 53.41 H new ATOM 0 HG3 GLN A 30 17.287 11.424 -4.511 1.00 53.41 H new ATOM 0 HE21 GLN A 30 18.792 9.390 -4.048 1.00 15.55 H new ATOM 0 HE22 GLN A 30 20.222 9.312 -5.083 1.00 15.55 H new ATOM 471 N PHE A 31 16.467 11.722 -6.846 1.00 62.11 N ATOM 472 CA PHE A 31 16.480 10.650 -7.835 1.00 53.41 C ATOM 473 C PHE A 31 16.016 11.161 -9.196 1.00 42.22 C ATOM 474 O PHE A 31 16.721 11.024 -10.197 1.00 4.12 O ATOM 475 CB PHE A 31 15.585 9.496 -7.379 1.00 52.11 C ATOM 476 CG PHE A 31 15.590 8.326 -8.320 1.00 70.34 C ATOM 477 CD1 PHE A 31 14.718 8.281 -9.396 1.00 33.20 C ATOM 478 CD2 PHE A 31 16.467 7.270 -8.129 1.00 72.13 C ATOM 479 CE1 PHE A 31 14.720 7.205 -10.264 1.00 41.43 C ATOM 480 CE2 PHE A 31 16.474 6.192 -8.994 1.00 40.24 C ATOM 481 CZ PHE A 31 15.599 6.159 -10.063 1.00 12.25 C ATOM 0 H PHE A 31 15.675 11.694 -6.204 1.00 62.11 H new ATOM 0 HA PHE A 31 17.504 10.290 -7.931 1.00 53.41 H new ATOM 0 HB2 PHE A 31 15.911 9.161 -6.394 1.00 52.11 H new ATOM 0 HB3 PHE A 31 14.563 9.860 -7.270 1.00 52.11 H new ATOM 0 HD1 PHE A 31 14.029 9.096 -9.558 1.00 33.20 H new ATOM 0 HD2 PHE A 31 17.153 7.290 -7.295 1.00 72.13 H new ATOM 0 HE1 PHE A 31 14.035 7.182 -11.098 1.00 41.43 H new ATOM 0 HE2 PHE A 31 17.163 5.376 -8.834 1.00 40.24 H new ATOM 0 HZ PHE A 31 15.603 5.317 -10.740 1.00 12.25 H new ATOM 491 N LEU A 32 14.826 11.750 -9.226 1.00 73.11 N ATOM 492 CA LEU A 32 14.266 12.282 -10.464 1.00 30.50 C ATOM 493 C LEU A 32 15.068 13.483 -10.952 1.00 41.43 C ATOM 494 O LEU A 32 15.362 13.606 -12.142 1.00 24.34 O ATOM 495 CB LEU A 32 12.804 12.680 -10.256 1.00 11.22 C ATOM 496 CG LEU A 32 12.514 13.555 -9.036 1.00 1.51 C ATOM 497 CD1 LEU A 32 12.499 15.026 -9.425 1.00 71.52 C ATOM 498 CD2 LEU A 32 11.192 13.158 -8.396 1.00 70.41 C ATOM 0 H LEU A 32 14.230 11.871 -8.407 1.00 73.11 H new ATOM 0 HA LEU A 32 14.319 11.501 -11.223 1.00 30.50 H new ATOM 0 HB2 LEU A 32 12.462 13.208 -11.146 1.00 11.22 H new ATOM 0 HB3 LEU A 32 12.209 11.771 -10.176 1.00 11.22 H new ATOM 0 HG LEU A 32 13.309 13.401 -8.306 1.00 1.51 H new ATOM 0 HD11 LEU A 32 12.291 15.633 -8.544 1.00 71.52 H new ATOM 0 HD12 LEU A 32 13.470 15.304 -9.836 1.00 71.52 H new ATOM 0 HD13 LEU A 32 11.726 15.196 -10.174 1.00 71.52 H new ATOM 0 HD21 LEU A 32 11.003 13.792 -7.529 1.00 70.41 H new ATOM 0 HD22 LEU A 32 10.386 13.282 -9.119 1.00 70.41 H new ATOM 0 HD23 LEU A 32 11.239 12.116 -8.080 1.00 70.41 H new ATOM 510 N LYS A 33 15.421 14.368 -10.026 1.00 42.32 N ATOM 511 CA LYS A 33 16.193 15.560 -10.360 1.00 73.42 C ATOM 512 C LYS A 33 17.477 15.188 -11.095 1.00 74.02 C ATOM 513 O LYS A 33 18.006 15.976 -11.880 1.00 73.21 O ATOM 514 CB LYS A 33 16.529 16.347 -9.092 1.00 15.14 C ATOM 515 CG LYS A 33 17.997 16.716 -8.975 1.00 64.44 C ATOM 516 CD LYS A 33 18.819 15.565 -8.420 1.00 31.54 C ATOM 517 CE LYS A 33 20.201 15.509 -9.053 1.00 12.44 C ATOM 518 NZ LYS A 33 21.249 16.054 -8.145 1.00 74.31 N ATOM 0 H LYS A 33 15.185 14.283 -9.037 1.00 42.32 H new ATOM 0 HA LYS A 33 15.586 16.183 -11.017 1.00 73.42 H new ATOM 0 HB2 LYS A 33 15.931 17.258 -9.071 1.00 15.14 H new ATOM 0 HB3 LYS A 33 16.241 15.757 -8.222 1.00 15.14 H new ATOM 0 HG2 LYS A 33 18.381 16.999 -9.955 1.00 64.44 H new ATOM 0 HG3 LYS A 33 18.104 17.586 -8.327 1.00 64.44 H new ATOM 0 HD2 LYS A 33 18.917 15.674 -7.340 1.00 31.54 H new ATOM 0 HD3 LYS A 33 18.297 14.625 -8.599 1.00 31.54 H new ATOM 0 HE2 LYS A 33 20.442 14.477 -9.308 1.00 12.44 H new ATOM 0 HE3 LYS A 33 20.197 16.075 -9.984 1.00 12.44 H new ATOM 0 HZ1 LYS A 33 22.062 16.378 -8.708 1.00 74.31 H new ATOM 0 HZ2 LYS A 33 20.860 16.854 -7.606 1.00 74.31 H new ATOM 0 HZ3 LYS A 33 21.558 15.311 -7.486 1.00 74.31 H new ATOM 532 N THR A 34 17.973 13.982 -10.837 1.00 61.13 N ATOM 533 CA THR A 34 19.194 13.506 -11.474 1.00 63.15 C ATOM 534 C THR A 34 18.919 13.011 -12.890 1.00 21.03 C ATOM 535 O THR A 34 19.816 12.982 -13.734 1.00 12.32 O ATOM 536 CB THR A 34 19.845 12.370 -10.663 1.00 63.10 C ATOM 537 OG1 THR A 34 21.262 12.567 -10.593 1.00 51.14 O ATOM 538 CG2 THR A 34 19.547 11.017 -11.291 1.00 33.33 C ATOM 0 H THR A 34 17.547 13.317 -10.191 1.00 61.13 H new ATOM 0 HA THR A 34 19.879 14.353 -11.515 1.00 63.15 H new ATOM 0 HB THR A 34 19.426 12.386 -9.657 1.00 63.10 H new ATOM 0 HG1 THR A 34 21.668 11.841 -10.074 1.00 51.14 H new ATOM 0 HG21 THR A 34 20.017 10.230 -10.701 1.00 33.33 H new ATOM 0 HG22 THR A 34 18.469 10.857 -11.316 1.00 33.33 H new ATOM 0 HG23 THR A 34 19.941 10.993 -12.307 1.00 33.33 H new ATOM 546 N LEU A 35 17.675 12.623 -13.144 1.00 35.50 N ATOM 547 CA LEU A 35 17.281 12.129 -14.459 1.00 74.10 C ATOM 548 C LEU A 35 17.125 13.279 -15.448 1.00 54.52 C ATOM 549 O LEU A 35 17.807 13.330 -16.472 1.00 73.44 O ATOM 550 CB LEU A 35 15.971 11.345 -14.360 1.00 54.30 C ATOM 551 CG LEU A 35 15.837 10.410 -13.158 1.00 2.13 C ATOM 552 CD1 LEU A 35 14.472 9.740 -13.151 1.00 52.42 C ATOM 553 CD2 LEU A 35 16.945 9.367 -13.168 1.00 71.30 C ATOM 0 H LEU A 35 16.921 12.641 -12.457 1.00 35.50 H new ATOM 0 HA LEU A 35 18.067 11.466 -14.821 1.00 74.10 H new ATOM 0 HB2 LEU A 35 15.146 12.057 -14.335 1.00 54.30 H new ATOM 0 HB3 LEU A 35 15.855 10.755 -15.269 1.00 54.30 H new ATOM 0 HG LEU A 35 15.931 11.003 -12.249 1.00 2.13 H new ATOM 0 HD11 LEU A 35 14.396 9.078 -12.288 1.00 52.42 H new ATOM 0 HD12 LEU A 35 13.694 10.501 -13.095 1.00 52.42 H new ATOM 0 HD13 LEU A 35 14.347 9.160 -14.065 1.00 52.42 H new ATOM 0 HD21 LEU A 35 16.834 8.710 -12.305 1.00 71.30 H new ATOM 0 HD22 LEU A 35 16.882 8.778 -14.083 1.00 71.30 H new ATOM 0 HD23 LEU A 35 17.914 9.865 -13.123 1.00 71.30 H new ATOM 565 N THR A 36 16.223 14.205 -15.134 1.00 61.05 N ATOM 566 CA THR A 36 15.978 15.356 -15.994 1.00 61.24 C ATOM 567 C THR A 36 15.889 16.641 -15.180 1.00 52.43 C ATOM 568 O THR A 36 16.195 17.725 -15.677 1.00 33.33 O ATOM 569 CB THR A 36 14.680 15.184 -16.806 1.00 42.41 C ATOM 570 OG1 THR A 36 14.405 16.378 -17.548 1.00 30.13 O ATOM 571 CG2 THR A 36 13.507 14.868 -15.891 1.00 2.35 C ATOM 0 H THR A 36 15.650 14.180 -14.290 1.00 61.05 H new ATOM 0 HA THR A 36 16.821 15.423 -16.681 1.00 61.24 H new ATOM 0 HB THR A 36 14.816 14.351 -17.496 1.00 42.41 H new ATOM 0 HG1 THR A 36 13.500 16.330 -17.921 1.00 30.13 H new ATOM 0 HG21 THR A 36 12.602 14.751 -16.487 1.00 2.35 H new ATOM 0 HG22 THR A 36 13.707 13.943 -15.349 1.00 2.35 H new ATOM 0 HG23 THR A 36 13.370 15.683 -15.180 1.00 2.35 H new ATOM 579 N GLY A 37 15.468 16.514 -13.925 1.00 52.04 N ATOM 580 CA GLY A 37 15.347 17.674 -13.062 1.00 55.32 C ATOM 581 C GLY A 37 16.681 18.342 -12.798 1.00 3.22 C ATOM 582 O GLY A 37 17.709 17.924 -13.331 1.00 4.34 O ATOM 0 H GLY A 37 15.209 15.628 -13.491 1.00 52.04 H new ATOM 0 HA2 GLY A 37 14.668 18.394 -13.519 1.00 55.32 H new ATOM 0 HA3 GLY A 37 14.901 17.373 -12.114 1.00 55.32 H new ATOM 586 N VAL A 38 16.666 19.385 -11.973 1.00 65.05 N ATOM 587 CA VAL A 38 17.885 20.113 -11.640 1.00 31.03 C ATOM 588 C VAL A 38 18.254 19.924 -10.173 1.00 32.43 C ATOM 589 O VAL A 38 17.389 19.942 -9.296 1.00 54.50 O ATOM 590 CB VAL A 38 17.737 21.618 -11.930 1.00 54.33 C ATOM 591 CG1 VAL A 38 16.365 22.113 -11.497 1.00 2.40 C ATOM 592 CG2 VAL A 38 18.840 22.405 -11.239 1.00 13.14 C ATOM 0 H VAL A 38 15.824 19.744 -11.524 1.00 65.05 H new ATOM 0 HA VAL A 38 18.678 19.706 -12.267 1.00 31.03 H new ATOM 0 HB VAL A 38 17.830 21.774 -13.005 1.00 54.33 H new ATOM 0 HG11 VAL A 38 16.279 23.179 -11.710 1.00 2.40 H new ATOM 0 HG12 VAL A 38 15.593 21.570 -12.043 1.00 2.40 H new ATOM 0 HG13 VAL A 38 16.239 21.945 -10.427 1.00 2.40 H new ATOM 0 HG21 VAL A 38 18.720 23.467 -11.455 1.00 13.14 H new ATOM 0 HG22 VAL A 38 18.782 22.245 -10.162 1.00 13.14 H new ATOM 0 HG23 VAL A 38 19.810 22.068 -11.604 1.00 13.14 H new ATOM 602 N LEU A 39 19.543 19.742 -9.912 1.00 25.45 N ATOM 603 CA LEU A 39 20.029 19.549 -8.549 1.00 55.22 C ATOM 604 C LEU A 39 19.582 20.694 -7.646 1.00 3.05 C ATOM 605 O LEU A 39 19.397 21.829 -8.086 1.00 21.15 O ATOM 606 CB LEU A 39 21.554 19.442 -8.541 1.00 5.45 C ATOM 607 CG LEU A 39 22.294 20.309 -9.561 1.00 32.23 C ATOM 608 CD1 LEU A 39 22.267 19.656 -10.934 1.00 44.21 C ATOM 609 CD2 LEU A 39 21.684 21.702 -9.618 1.00 44.05 C ATOM 0 H LEU A 39 20.272 19.724 -10.626 1.00 25.45 H new ATOM 0 HA LEU A 39 19.605 18.621 -8.165 1.00 55.22 H new ATOM 0 HB2 LEU A 39 21.911 19.703 -7.545 1.00 5.45 H new ATOM 0 HB3 LEU A 39 21.826 18.401 -8.714 1.00 5.45 H new ATOM 0 HG LEU A 39 23.333 20.402 -9.246 1.00 32.23 H new ATOM 0 HD11 LEU A 39 22.798 20.286 -11.647 1.00 44.21 H new ATOM 0 HD12 LEU A 39 22.750 18.680 -10.882 1.00 44.21 H new ATOM 0 HD13 LEU A 39 21.234 19.533 -11.258 1.00 44.21 H new ATOM 0 HD21 LEU A 39 22.223 22.305 -10.349 1.00 44.05 H new ATOM 0 HD22 LEU A 39 20.636 21.629 -9.910 1.00 44.05 H new ATOM 0 HD23 LEU A 39 21.756 22.171 -8.637 1.00 44.05 H new ATOM 621 N PRO A 40 19.407 20.392 -6.350 1.00 41.24 N ATOM 622 CA PRO A 40 18.983 21.383 -5.357 1.00 4.21 C ATOM 623 C PRO A 40 20.067 22.417 -5.070 1.00 63.24 C ATOM 624 O PRO A 40 19.780 23.515 -4.596 1.00 53.21 O ATOM 625 CB PRO A 40 18.706 20.540 -4.110 1.00 61.51 C ATOM 626 CG PRO A 40 19.555 19.326 -4.277 1.00 53.53 C ATOM 627 CD PRO A 40 19.610 19.060 -5.756 1.00 54.12 C ATOM 0 HA PRO A 40 18.123 21.959 -5.699 1.00 4.21 H new ATOM 0 HB2 PRO A 40 18.965 21.082 -3.200 1.00 61.51 H new ATOM 0 HB3 PRO A 40 17.651 20.278 -4.036 1.00 61.51 H new ATOM 0 HG2 PRO A 40 20.554 19.490 -3.872 1.00 53.53 H new ATOM 0 HG3 PRO A 40 19.130 18.476 -3.743 1.00 53.53 H new ATOM 0 HD2 PRO A 40 20.567 18.630 -6.052 1.00 54.12 H new ATOM 0 HD3 PRO A 40 18.836 18.359 -6.067 1.00 54.12 H new ATOM 635 N GLU A 41 21.313 22.057 -5.362 1.00 45.30 N ATOM 636 CA GLU A 41 22.440 22.955 -5.135 1.00 12.03 C ATOM 637 C GLU A 41 22.212 24.299 -5.821 1.00 60.45 C ATOM 638 O GLU A 41 22.551 25.350 -5.279 1.00 11.42 O ATOM 639 CB GLU A 41 23.736 22.322 -5.645 1.00 41.21 C ATOM 640 CG GLU A 41 24.932 23.259 -5.594 1.00 74.45 C ATOM 641 CD GLU A 41 25.048 23.985 -4.268 1.00 70.05 C ATOM 642 OE1 GLU A 41 24.972 23.315 -3.217 1.00 51.02 O ATOM 643 OE2 GLU A 41 25.215 25.222 -4.282 1.00 12.33 O ATOM 0 H GLU A 41 21.568 21.151 -5.756 1.00 45.30 H new ATOM 0 HA GLU A 41 22.526 23.125 -4.062 1.00 12.03 H new ATOM 0 HB2 GLU A 41 23.955 21.434 -5.052 1.00 41.21 H new ATOM 0 HB3 GLU A 41 23.589 21.990 -6.673 1.00 41.21 H new ATOM 0 HG2 GLU A 41 25.844 22.689 -5.773 1.00 74.45 H new ATOM 0 HG3 GLU A 41 24.851 23.990 -6.398 1.00 74.45 H new ATOM 650 N ARG A 42 21.636 24.254 -7.018 1.00 43.45 N ATOM 651 CA ARG A 42 21.365 25.467 -7.781 1.00 14.12 C ATOM 652 C ARG A 42 19.881 25.821 -7.729 1.00 2.12 C ATOM 653 O ARG A 42 19.517 26.990 -7.607 1.00 51.32 O ATOM 654 CB ARG A 42 21.807 25.291 -9.235 1.00 1.04 C ATOM 655 CG ARG A 42 23.258 25.673 -9.480 1.00 54.32 C ATOM 656 CD ARG A 42 24.170 24.458 -9.431 1.00 70.32 C ATOM 657 NE ARG A 42 25.568 24.814 -9.657 1.00 23.51 N ATOM 658 CZ ARG A 42 26.544 23.920 -9.777 1.00 31.13 C ATOM 659 NH1 ARG A 42 26.275 22.624 -9.693 1.00 54.43 N ATOM 660 NH2 ARG A 42 27.792 24.322 -9.981 1.00 31.21 N ATOM 0 H ARG A 42 21.348 23.391 -7.480 1.00 43.45 H new ATOM 0 HA ARG A 42 21.932 26.282 -7.332 1.00 14.12 H new ATOM 0 HB2 ARG A 42 21.659 24.251 -9.528 1.00 1.04 H new ATOM 0 HB3 ARG A 42 21.167 25.897 -9.877 1.00 1.04 H new ATOM 0 HG2 ARG A 42 23.348 26.158 -10.452 1.00 54.32 H new ATOM 0 HG3 ARG A 42 23.576 26.398 -8.731 1.00 54.32 H new ATOM 0 HD2 ARG A 42 24.072 23.970 -8.461 1.00 70.32 H new ATOM 0 HD3 ARG A 42 23.853 23.736 -10.184 1.00 70.32 H new ATOM 0 HE ARG A 42 25.809 25.803 -9.727 1.00 23.51 H new ATOM 0 HH11 ARG A 42 25.317 22.311 -9.536 1.00 54.43 H new ATOM 0 HH12 ARG A 42 27.026 21.940 -9.786 1.00 54.43 H new ATOM 0 HH21 ARG A 42 28.003 25.318 -10.046 1.00 31.21 H new ATOM 0 HH22 ARG A 42 28.540 23.635 -10.073 1.00 31.21 H new ATOM 674 N GLN A 43 19.032 24.803 -7.822 1.00 54.32 N ATOM 675 CA GLN A 43 17.588 25.008 -7.787 1.00 64.10 C ATOM 676 C GLN A 43 17.039 24.768 -6.385 1.00 14.22 C ATOM 677 O GLN A 43 17.659 24.082 -5.572 1.00 14.10 O ATOM 678 CB GLN A 43 16.896 24.078 -8.785 1.00 53.41 C ATOM 679 CG GLN A 43 16.549 22.715 -8.208 1.00 4.43 C ATOM 680 CD GLN A 43 15.221 22.712 -7.477 1.00 24.44 C ATOM 681 OE1 GLN A 43 14.402 23.614 -7.650 1.00 12.24 O ATOM 682 NE2 GLN A 43 15.001 21.693 -6.653 1.00 44.15 N ATOM 0 H GLN A 43 19.318 23.829 -7.922 1.00 54.32 H new ATOM 0 HA GLN A 43 17.386 26.042 -8.065 1.00 64.10 H new ATOM 0 HB2 GLN A 43 15.983 24.556 -9.141 1.00 53.41 H new ATOM 0 HB3 GLN A 43 17.543 23.942 -9.651 1.00 53.41 H new ATOM 0 HG2 GLN A 43 16.518 21.981 -9.013 1.00 4.43 H new ATOM 0 HG3 GLN A 43 17.337 22.403 -7.523 1.00 4.43 H new ATOM 0 HE21 GLN A 43 15.708 20.967 -6.540 1.00 44.15 H new ATOM 0 HE22 GLN A 43 14.125 21.637 -6.134 1.00 44.15 H new ATOM 691 N LYS A 44 15.871 25.338 -6.107 1.00 40.30 N ATOM 692 CA LYS A 44 15.236 25.187 -4.803 1.00 71.43 C ATOM 693 C LYS A 44 13.793 24.714 -4.953 1.00 23.04 C ATOM 694 O LYS A 44 13.084 25.133 -5.868 1.00 75.00 O ATOM 695 CB LYS A 44 15.273 26.511 -4.038 1.00 1.22 C ATOM 696 CG LYS A 44 14.568 27.649 -4.756 1.00 63.10 C ATOM 697 CD LYS A 44 13.086 27.686 -4.423 1.00 23.33 C ATOM 698 CE LYS A 44 12.684 29.022 -3.818 1.00 41.21 C ATOM 699 NZ LYS A 44 11.587 28.873 -2.822 1.00 62.31 N ATOM 0 H LYS A 44 15.345 25.909 -6.768 1.00 40.30 H new ATOM 0 HA LYS A 44 15.790 24.435 -4.241 1.00 71.43 H new ATOM 0 HB2 LYS A 44 14.813 26.369 -3.060 1.00 1.22 H new ATOM 0 HB3 LYS A 44 16.312 26.791 -3.863 1.00 1.22 H new ATOM 0 HG2 LYS A 44 15.028 28.597 -4.477 1.00 63.10 H new ATOM 0 HG3 LYS A 44 14.697 27.537 -5.832 1.00 63.10 H new ATOM 0 HD2 LYS A 44 12.504 27.505 -5.327 1.00 23.33 H new ATOM 0 HD3 LYS A 44 12.849 26.883 -3.725 1.00 23.33 H new ATOM 0 HE2 LYS A 44 13.550 29.479 -3.339 1.00 41.21 H new ATOM 0 HE3 LYS A 44 12.365 29.698 -4.611 1.00 41.21 H new ATOM 0 HZ1 LYS A 44 11.342 29.806 -2.433 1.00 62.31 H new ATOM 0 HZ2 LYS A 44 10.752 28.461 -3.285 1.00 62.31 H new ATOM 0 HZ3 LYS A 44 11.900 28.248 -2.052 1.00 62.31 H new ATOM 713 N LEU A 45 13.365 23.841 -4.048 1.00 21.14 N ATOM 714 CA LEU A 45 12.006 23.312 -4.078 1.00 13.43 C ATOM 715 C LEU A 45 10.988 24.409 -3.777 1.00 65.41 C ATOM 716 O LEU A 45 11.158 25.187 -2.838 1.00 1.41 O ATOM 717 CB LEU A 45 11.858 22.173 -3.068 1.00 30.02 C ATOM 718 CG LEU A 45 12.520 20.848 -3.449 1.00 2.42 C ATOM 719 CD1 LEU A 45 12.044 20.388 -4.818 1.00 32.23 C ATOM 720 CD2 LEU A 45 14.036 20.984 -3.427 1.00 53.23 C ATOM 0 H LEU A 45 13.939 23.484 -3.284 1.00 21.14 H new ATOM 0 HA LEU A 45 11.814 22.928 -5.080 1.00 13.43 H new ATOM 0 HB2 LEU A 45 12.273 22.503 -2.115 1.00 30.02 H new ATOM 0 HB3 LEU A 45 10.795 21.992 -2.907 1.00 30.02 H new ATOM 0 HG LEU A 45 12.232 20.095 -2.715 1.00 2.42 H new ATOM 0 HD11 LEU A 45 12.526 19.444 -5.072 1.00 32.23 H new ATOM 0 HD12 LEU A 45 10.963 20.251 -4.800 1.00 32.23 H new ATOM 0 HD13 LEU A 45 12.302 21.139 -5.564 1.00 32.23 H new ATOM 0 HD21 LEU A 45 14.491 20.032 -3.701 1.00 53.23 H new ATOM 0 HD22 LEU A 45 14.343 21.750 -4.139 1.00 53.23 H new ATOM 0 HD23 LEU A 45 14.361 21.267 -2.426 1.00 53.23 H new ATOM 732 N LEU A 46 9.930 24.462 -4.579 1.00 4.45 N ATOM 733 CA LEU A 46 8.883 25.462 -4.397 1.00 64.13 C ATOM 734 C LEU A 46 8.000 25.115 -3.203 1.00 4.11 C ATOM 735 O LEU A 46 8.013 25.808 -2.187 1.00 10.24 O ATOM 736 CB LEU A 46 8.030 25.571 -5.662 1.00 62.53 C ATOM 737 CG LEU A 46 8.635 26.376 -6.813 1.00 1.03 C ATOM 738 CD1 LEU A 46 8.980 27.785 -6.355 1.00 31.44 C ATOM 739 CD2 LEU A 46 9.868 25.675 -7.364 1.00 5.44 C ATOM 0 H LEU A 46 9.774 23.825 -5.361 1.00 4.45 H new ATOM 0 HA LEU A 46 9.361 26.422 -4.204 1.00 64.13 H new ATOM 0 HB2 LEU A 46 7.819 24.564 -6.021 1.00 62.53 H new ATOM 0 HB3 LEU A 46 7.074 26.021 -5.394 1.00 62.53 H new ATOM 0 HG LEU A 46 7.895 26.446 -7.610 1.00 1.03 H new ATOM 0 HD11 LEU A 46 9.409 28.343 -7.187 1.00 31.44 H new ATOM 0 HD12 LEU A 46 8.076 28.287 -6.009 1.00 31.44 H new ATOM 0 HD13 LEU A 46 9.702 27.736 -5.540 1.00 31.44 H new ATOM 0 HD21 LEU A 46 10.285 26.262 -8.182 1.00 5.44 H new ATOM 0 HD22 LEU A 46 10.612 25.573 -6.574 1.00 5.44 H new ATOM 0 HD23 LEU A 46 9.591 24.687 -7.731 1.00 5.44 H new ATOM 751 N GLY A 47 7.235 24.035 -3.333 1.00 3.35 N ATOM 752 CA GLY A 47 6.358 23.614 -2.256 1.00 23.12 C ATOM 753 C GLY A 47 6.941 22.472 -1.447 1.00 1.45 C ATOM 754 O GLY A 47 6.351 21.394 -1.366 1.00 24.10 O ATOM 0 H GLY A 47 7.207 23.445 -4.164 1.00 3.35 H new ATOM 0 HA2 GLY A 47 6.165 24.460 -1.597 1.00 23.12 H new ATOM 0 HA3 GLY A 47 5.398 23.308 -2.672 1.00 23.12 H new ATOM 758 N LEU A 48 8.103 22.708 -0.846 1.00 73.54 N ATOM 759 CA LEU A 48 8.767 21.689 -0.040 1.00 43.51 C ATOM 760 C LEU A 48 7.855 21.201 1.081 1.00 50.43 C ATOM 761 O LEU A 48 8.059 20.122 1.636 1.00 33.33 O ATOM 762 CB LEU A 48 10.065 22.244 0.549 1.00 45.33 C ATOM 763 CG LEU A 48 9.918 23.437 1.495 1.00 72.35 C ATOM 764 CD1 LEU A 48 9.638 22.962 2.912 1.00 51.20 C ATOM 765 CD2 LEU A 48 11.167 24.305 1.458 1.00 62.44 C ATOM 0 H LEU A 48 8.604 23.595 -0.902 1.00 73.54 H new ATOM 0 HA LEU A 48 9.000 20.844 -0.687 1.00 43.51 H new ATOM 0 HB2 LEU A 48 10.569 21.441 1.086 1.00 45.33 H new ATOM 0 HB3 LEU A 48 10.718 22.537 -0.274 1.00 45.33 H new ATOM 0 HG LEU A 48 9.073 24.039 1.161 1.00 72.35 H new ATOM 0 HD11 LEU A 48 9.536 23.824 3.571 1.00 51.20 H new ATOM 0 HD12 LEU A 48 8.714 22.384 2.926 1.00 51.20 H new ATOM 0 HD13 LEU A 48 10.462 22.337 3.256 1.00 51.20 H new ATOM 0 HD21 LEU A 48 11.044 25.149 2.137 1.00 62.44 H new ATOM 0 HD22 LEU A 48 12.030 23.714 1.766 1.00 62.44 H new ATOM 0 HD23 LEU A 48 11.323 24.675 0.445 1.00 62.44 H new ATOM 777 N LYS A 49 6.847 22.003 1.407 1.00 33.21 N ATOM 778 CA LYS A 49 5.900 21.652 2.459 1.00 53.31 C ATOM 779 C LYS A 49 4.519 21.368 1.876 1.00 42.44 C ATOM 780 O LYS A 49 4.097 22.010 0.913 1.00 20.42 O ATOM 781 CB LYS A 49 5.808 22.781 3.488 1.00 50.31 C ATOM 782 CG LYS A 49 6.247 24.132 2.950 1.00 40.14 C ATOM 783 CD LYS A 49 5.901 25.255 3.913 1.00 44.32 C ATOM 784 CE LYS A 49 6.996 26.311 3.954 1.00 71.30 C ATOM 785 NZ LYS A 49 6.522 27.578 4.577 1.00 73.42 N ATOM 0 H LYS A 49 6.665 22.900 0.958 1.00 33.21 H new ATOM 0 HA LYS A 49 6.260 20.748 2.951 1.00 53.31 H new ATOM 0 HB2 LYS A 49 4.779 22.857 3.841 1.00 50.31 H new ATOM 0 HB3 LYS A 49 6.423 22.526 4.351 1.00 50.31 H new ATOM 0 HG2 LYS A 49 7.322 24.122 2.773 1.00 40.14 H new ATOM 0 HG3 LYS A 49 5.767 24.315 1.989 1.00 40.14 H new ATOM 0 HD2 LYS A 49 4.960 25.716 3.613 1.00 44.32 H new ATOM 0 HD3 LYS A 49 5.751 24.846 4.912 1.00 44.32 H new ATOM 0 HE2 LYS A 49 7.849 25.928 4.514 1.00 71.30 H new ATOM 0 HE3 LYS A 49 7.344 26.513 2.941 1.00 71.30 H new ATOM 0 HZ1 LYS A 49 7.297 28.272 4.586 1.00 73.42 H new ATOM 0 HZ2 LYS A 49 5.724 27.957 4.028 1.00 73.42 H new ATOM 0 HZ3 LYS A 49 6.213 27.391 5.552 1.00 73.42 H new ATOM 799 N VAL A 50 3.819 20.404 2.465 1.00 3.44 N ATOM 800 CA VAL A 50 2.485 20.038 2.006 1.00 61.42 C ATOM 801 C VAL A 50 1.584 19.664 3.177 1.00 32.21 C ATOM 802 O VAL A 50 2.041 19.100 4.172 1.00 73.35 O ATOM 803 CB VAL A 50 2.537 18.859 1.016 1.00 71.04 C ATOM 804 CG1 VAL A 50 2.996 17.591 1.719 1.00 73.54 C ATOM 805 CG2 VAL A 50 1.179 18.654 0.360 1.00 4.14 C ATOM 0 H VAL A 50 4.154 19.862 3.262 1.00 3.44 H new ATOM 0 HA VAL A 50 2.074 20.911 1.500 1.00 61.42 H new ATOM 0 HB VAL A 50 3.260 19.094 0.235 1.00 71.04 H new ATOM 0 HG11 VAL A 50 3.026 16.769 1.004 1.00 73.54 H new ATOM 0 HG12 VAL A 50 3.991 17.746 2.136 1.00 73.54 H new ATOM 0 HG13 VAL A 50 2.300 17.348 2.522 1.00 73.54 H new ATOM 0 HG21 VAL A 50 1.234 17.817 -0.336 1.00 4.14 H new ATOM 0 HG22 VAL A 50 0.433 18.440 1.126 1.00 4.14 H new ATOM 0 HG23 VAL A 50 0.896 19.557 -0.180 1.00 4.14 H new ATOM 815 N LYS A 51 0.300 19.982 3.053 1.00 34.51 N ATOM 816 CA LYS A 51 -0.669 19.678 4.100 1.00 3.11 C ATOM 817 C LYS A 51 -0.225 20.262 5.438 1.00 62.14 C ATOM 818 O LYS A 51 -0.512 19.703 6.496 1.00 43.55 O ATOM 819 CB LYS A 51 -0.854 18.164 4.229 1.00 51.42 C ATOM 820 CG LYS A 51 -1.419 17.513 2.979 1.00 75.52 C ATOM 821 CD LYS A 51 -2.396 16.400 3.323 1.00 51.41 C ATOM 822 CE LYS A 51 -2.503 15.384 2.197 1.00 64.24 C ATOM 823 NZ LYS A 51 -3.892 15.282 1.671 1.00 40.45 N ATOM 0 H LYS A 51 -0.094 20.451 2.237 1.00 34.51 H new ATOM 0 HA LYS A 51 -1.620 20.132 3.823 1.00 3.11 H new ATOM 0 HB2 LYS A 51 0.108 17.707 4.464 1.00 51.42 H new ATOM 0 HB3 LYS A 51 -1.518 17.958 5.068 1.00 51.42 H new ATOM 0 HG2 LYS A 51 -1.922 18.265 2.372 1.00 75.52 H new ATOM 0 HG3 LYS A 51 -0.604 17.110 2.377 1.00 75.52 H new ATOM 0 HD2 LYS A 51 -2.073 15.900 4.236 1.00 51.41 H new ATOM 0 HD3 LYS A 51 -3.379 16.826 3.524 1.00 51.41 H new ATOM 0 HE2 LYS A 51 -1.828 15.666 1.388 1.00 64.24 H new ATOM 0 HE3 LYS A 51 -2.179 14.408 2.557 1.00 64.24 H new ATOM 0 HZ1 LYS A 51 -3.922 14.579 0.905 1.00 40.45 H new ATOM 0 HZ2 LYS A 51 -4.532 14.988 2.436 1.00 40.45 H new ATOM 0 HZ3 LYS A 51 -4.193 16.207 1.304 1.00 40.45 H new ATOM 837 N GLY A 52 0.476 21.391 5.382 1.00 30.43 N ATOM 838 CA GLY A 52 0.947 22.032 6.596 1.00 34.22 C ATOM 839 C GLY A 52 2.235 21.423 7.111 1.00 24.54 C ATOM 840 O GLY A 52 2.873 21.969 8.011 1.00 4.14 O ATOM 0 H GLY A 52 0.726 21.873 4.518 1.00 30.43 H new ATOM 0 HA2 GLY A 52 1.102 23.094 6.406 1.00 34.22 H new ATOM 0 HA3 GLY A 52 0.179 21.954 7.366 1.00 34.22 H new ATOM 844 N LYS A 53 2.620 20.286 6.541 1.00 31.43 N ATOM 845 CA LYS A 53 3.841 19.600 6.948 1.00 72.13 C ATOM 846 C LYS A 53 5.063 20.226 6.284 1.00 21.10 C ATOM 847 O LYS A 53 4.990 20.772 5.183 1.00 61.11 O ATOM 848 CB LYS A 53 3.759 18.114 6.591 1.00 35.10 C ATOM 849 CG LYS A 53 2.761 17.340 7.435 1.00 13.11 C ATOM 850 CD LYS A 53 3.170 17.313 8.898 1.00 2.41 C ATOM 851 CE LYS A 53 2.054 17.820 9.799 1.00 42.43 C ATOM 852 NZ LYS A 53 2.273 19.235 10.210 1.00 20.33 N ATOM 0 H LYS A 53 2.104 19.820 5.795 1.00 31.43 H new ATOM 0 HA LYS A 53 3.943 19.703 8.028 1.00 72.13 H new ATOM 0 HB2 LYS A 53 3.487 18.016 5.540 1.00 35.10 H new ATOM 0 HB3 LYS A 53 4.746 17.666 6.708 1.00 35.10 H new ATOM 0 HG2 LYS A 53 1.774 17.793 7.341 1.00 13.11 H new ATOM 0 HG3 LYS A 53 2.680 16.320 7.060 1.00 13.11 H new ATOM 0 HD2 LYS A 53 3.436 16.295 9.184 1.00 2.41 H new ATOM 0 HD3 LYS A 53 4.060 17.926 9.039 1.00 2.41 H new ATOM 0 HE2 LYS A 53 1.100 17.737 9.278 1.00 42.43 H new ATOM 0 HE3 LYS A 53 1.989 17.190 10.686 1.00 42.43 H new ATOM 0 HZ1 LYS A 53 1.519 19.527 10.863 1.00 20.33 H new ATOM 0 HZ2 LYS A 53 3.194 19.320 10.685 1.00 20.33 H new ATOM 0 HZ3 LYS A 53 2.259 19.847 9.369 1.00 20.33 H new ATOM 866 N PRO A 54 6.215 20.145 6.967 1.00 52.12 N ATOM 867 CA PRO A 54 7.475 20.697 6.461 1.00 23.31 C ATOM 868 C PRO A 54 8.014 19.914 5.269 1.00 73.45 C ATOM 869 O PRO A 54 8.653 20.478 4.381 1.00 32.31 O ATOM 870 CB PRO A 54 8.423 20.569 7.656 1.00 1.43 C ATOM 871 CG PRO A 54 7.867 19.447 8.463 1.00 61.13 C ATOM 872 CD PRO A 54 6.375 19.509 8.285 1.00 62.51 C ATOM 0 HA PRO A 54 7.356 21.719 6.100 1.00 23.31 H new ATOM 0 HB2 PRO A 54 9.442 20.357 7.332 1.00 1.43 H new ATOM 0 HB3 PRO A 54 8.458 21.493 8.234 1.00 1.43 H new ATOM 0 HG2 PRO A 54 8.261 18.489 8.123 1.00 61.13 H new ATOM 0 HG3 PRO A 54 8.139 19.549 9.513 1.00 61.13 H new ATOM 0 HD2 PRO A 54 5.926 18.516 8.309 1.00 62.51 H new ATOM 0 HD3 PRO A 54 5.900 20.093 9.073 1.00 62.51 H new ATOM 880 N ALA A 55 7.751 18.611 5.254 1.00 34.04 N ATOM 881 CA ALA A 55 8.207 17.751 4.169 1.00 13.23 C ATOM 882 C ALA A 55 9.577 18.187 3.663 1.00 44.12 C ATOM 883 O ALA A 55 9.809 18.259 2.456 1.00 31.44 O ATOM 884 CB ALA A 55 7.196 17.755 3.032 1.00 11.32 C ATOM 0 H ALA A 55 7.224 18.128 5.982 1.00 34.04 H new ATOM 0 HA ALA A 55 8.298 16.736 4.556 1.00 13.23 H new ATOM 0 HB1 ALA A 55 7.549 17.109 2.229 1.00 11.32 H new ATOM 0 HB2 ALA A 55 6.236 17.389 3.397 1.00 11.32 H new ATOM 0 HB3 ALA A 55 7.077 18.771 2.655 1.00 11.32 H new ATOM 890 N GLU A 56 10.482 18.478 4.593 1.00 70.24 N ATOM 891 CA GLU A 56 11.829 18.908 4.238 1.00 4.34 C ATOM 892 C GLU A 56 12.546 17.836 3.423 1.00 44.21 C ATOM 893 O GLU A 56 12.679 17.952 2.205 1.00 14.54 O ATOM 894 CB GLU A 56 12.634 19.229 5.500 1.00 64.14 C ATOM 895 CG GLU A 56 14.005 19.819 5.213 1.00 12.42 C ATOM 896 CD GLU A 56 14.115 21.271 5.637 1.00 15.21 C ATOM 897 OE1 GLU A 56 14.241 21.527 6.853 1.00 44.04 O ATOM 898 OE2 GLU A 56 14.074 22.152 4.752 1.00 32.41 O ATOM 0 H GLU A 56 10.307 18.424 5.596 1.00 70.24 H new ATOM 0 HA GLU A 56 11.747 19.808 3.629 1.00 4.34 H new ATOM 0 HB2 GLU A 56 12.068 19.929 6.114 1.00 64.14 H new ATOM 0 HB3 GLU A 56 12.755 18.318 6.085 1.00 64.14 H new ATOM 0 HG2 GLU A 56 14.764 19.234 5.732 1.00 12.42 H new ATOM 0 HG3 GLU A 56 14.215 19.739 4.146 1.00 12.42 H new ATOM 905 N ASN A 57 13.008 16.792 4.104 1.00 13.54 N ATOM 906 CA ASN A 57 13.712 15.700 3.444 1.00 25.43 C ATOM 907 C ASN A 57 13.670 14.433 4.294 1.00 73.03 C ATOM 908 O ASN A 57 13.547 13.326 3.770 1.00 73.33 O ATOM 909 CB ASN A 57 15.165 16.094 3.170 1.00 40.15 C ATOM 910 CG ASN A 57 15.715 17.043 4.217 1.00 35.12 C ATOM 911 OD1 ASN A 57 15.959 18.217 3.940 1.00 43.11 O ATOM 912 ND2 ASN A 57 15.911 16.536 5.429 1.00 42.31 N ATOM 0 H ASN A 57 12.907 16.680 5.113 1.00 13.54 H new ATOM 0 HA ASN A 57 13.212 15.499 2.497 1.00 25.43 H new ATOM 0 HB2 ASN A 57 15.782 15.196 3.138 1.00 40.15 H new ATOM 0 HB3 ASN A 57 15.232 16.562 2.188 1.00 40.15 H new ATOM 0 HD21 ASN A 57 16.278 17.126 6.176 1.00 42.31 H new ATOM 0 HD22 ASN A 57 15.694 15.556 5.613 1.00 42.31 H new ATOM 919 N ASP A 58 13.771 14.604 5.607 1.00 5.50 N ATOM 920 CA ASP A 58 13.743 13.476 6.530 1.00 33.20 C ATOM 921 C ASP A 58 12.371 12.807 6.528 1.00 5.33 C ATOM 922 O ASP A 58 12.187 11.744 7.120 1.00 30.24 O ATOM 923 CB ASP A 58 14.097 13.937 7.945 1.00 42.15 C ATOM 924 CG ASP A 58 14.567 12.796 8.825 1.00 60.20 C ATOM 925 OD1 ASP A 58 15.780 12.499 8.814 1.00 12.00 O ATOM 926 OD2 ASP A 58 13.722 12.199 9.524 1.00 33.33 O ATOM 0 H ASP A 58 13.873 15.514 6.057 1.00 5.50 H new ATOM 0 HA ASP A 58 14.484 12.748 6.198 1.00 33.20 H new ATOM 0 HB2 ASP A 58 14.877 14.696 7.892 1.00 42.15 H new ATOM 0 HB3 ASP A 58 13.225 14.407 8.400 1.00 42.15 H new ATOM 931 N VAL A 59 11.412 13.439 5.860 1.00 73.33 N ATOM 932 CA VAL A 59 10.057 12.905 5.781 1.00 50.32 C ATOM 933 C VAL A 59 9.963 11.795 4.740 1.00 41.52 C ATOM 934 O VAL A 59 10.662 11.819 3.726 1.00 34.43 O ATOM 935 CB VAL A 59 9.039 14.008 5.433 1.00 21.21 C ATOM 936 CG1 VAL A 59 7.617 13.485 5.572 1.00 4.32 C ATOM 937 CG2 VAL A 59 9.256 15.229 6.314 1.00 53.24 C ATOM 0 H VAL A 59 11.548 14.321 5.366 1.00 73.33 H new ATOM 0 HA VAL A 59 9.819 12.498 6.764 1.00 50.32 H new ATOM 0 HB VAL A 59 9.191 14.305 4.395 1.00 21.21 H new ATOM 0 HG11 VAL A 59 6.912 14.278 5.322 1.00 4.32 H new ATOM 0 HG12 VAL A 59 7.471 12.643 4.895 1.00 4.32 H new ATOM 0 HG13 VAL A 59 7.448 13.159 6.598 1.00 4.32 H new ATOM 0 HG21 VAL A 59 8.529 15.998 6.055 1.00 53.24 H new ATOM 0 HG22 VAL A 59 9.132 14.950 7.360 1.00 53.24 H new ATOM 0 HG23 VAL A 59 10.263 15.615 6.159 1.00 53.24 H new ATOM 947 N LYS A 60 9.094 10.823 4.996 1.00 2.52 N ATOM 948 CA LYS A 60 8.906 9.704 4.081 1.00 31.13 C ATOM 949 C LYS A 60 7.741 9.967 3.132 1.00 21.12 C ATOM 950 O LYS A 60 6.789 10.667 3.480 1.00 20.44 O ATOM 951 CB LYS A 60 8.657 8.414 4.866 1.00 61.32 C ATOM 952 CG LYS A 60 9.883 7.905 5.605 1.00 51.14 C ATOM 953 CD LYS A 60 9.915 6.387 5.653 1.00 71.32 C ATOM 954 CE LYS A 60 10.435 5.882 6.990 1.00 12.32 C ATOM 955 NZ LYS A 60 11.044 4.529 6.874 1.00 62.45 N ATOM 0 H LYS A 60 8.508 10.788 5.830 1.00 2.52 H new ATOM 0 HA LYS A 60 9.815 9.593 3.490 1.00 31.13 H new ATOM 0 HB2 LYS A 60 7.855 8.585 5.584 1.00 61.32 H new ATOM 0 HB3 LYS A 60 8.311 7.642 4.179 1.00 61.32 H new ATOM 0 HG2 LYS A 60 10.784 8.273 5.114 1.00 51.14 H new ATOM 0 HG3 LYS A 60 9.888 8.302 6.620 1.00 51.14 H new ATOM 0 HD2 LYS A 60 8.913 5.995 5.480 1.00 71.32 H new ATOM 0 HD3 LYS A 60 10.548 6.010 4.850 1.00 71.32 H new ATOM 0 HE2 LYS A 60 11.175 6.581 7.379 1.00 12.32 H new ATOM 0 HE3 LYS A 60 9.617 5.851 7.709 1.00 12.32 H new ATOM 0 HZ1 LYS A 60 11.386 4.221 7.807 1.00 62.45 H new ATOM 0 HZ2 LYS A 60 10.331 3.856 6.527 1.00 62.45 H new ATOM 0 HZ3 LYS A 60 11.841 4.563 6.207 1.00 62.45 H new ATOM 969 N LEU A 61 7.822 9.401 1.933 1.00 51.31 N ATOM 970 CA LEU A 61 6.773 9.573 0.934 1.00 41.44 C ATOM 971 C LEU A 61 5.404 9.243 1.519 1.00 52.21 C ATOM 972 O LEU A 61 4.425 9.946 1.271 1.00 44.52 O ATOM 973 CB LEU A 61 7.049 8.686 -0.281 1.00 75.24 C ATOM 974 CG LEU A 61 8.474 8.725 -0.832 1.00 44.42 C ATOM 975 CD1 LEU A 61 8.607 7.807 -2.037 1.00 50.11 C ATOM 976 CD2 LEU A 61 8.865 10.150 -1.199 1.00 70.33 C ATOM 0 H LEU A 61 8.603 8.819 1.629 1.00 51.31 H new ATOM 0 HA LEU A 61 6.771 10.617 0.621 1.00 41.44 H new ATOM 0 HB2 LEU A 61 6.812 7.656 -0.015 1.00 75.24 H new ATOM 0 HB3 LEU A 61 6.365 8.974 -1.079 1.00 75.24 H new ATOM 0 HG LEU A 61 9.152 8.371 -0.056 1.00 44.42 H new ATOM 0 HD11 LEU A 61 9.628 7.849 -2.415 1.00 50.11 H new ATOM 0 HD12 LEU A 61 8.370 6.784 -1.743 1.00 50.11 H new ATOM 0 HD13 LEU A 61 7.918 8.129 -2.818 1.00 50.11 H new ATOM 0 HD21 LEU A 61 9.883 10.159 -1.590 1.00 70.33 H new ATOM 0 HD22 LEU A 61 8.182 10.531 -1.958 1.00 70.33 H new ATOM 0 HD23 LEU A 61 8.811 10.782 -0.312 1.00 70.33 H new ATOM 988 N GLY A 62 5.343 8.169 2.300 1.00 71.43 N ATOM 989 CA GLY A 62 4.090 7.765 2.910 1.00 14.31 C ATOM 990 C GLY A 62 3.714 8.637 4.092 1.00 34.51 C ATOM 991 O GLY A 62 2.580 8.591 4.570 1.00 63.13 O ATOM 0 H GLY A 62 6.139 7.571 2.521 1.00 71.43 H new ATOM 0 HA2 GLY A 62 3.296 7.807 2.164 1.00 14.31 H new ATOM 0 HA3 GLY A 62 4.166 6.728 3.237 1.00 14.31 H new ATOM 995 N ALA A 63 4.667 9.431 4.566 1.00 2.53 N ATOM 996 CA ALA A 63 4.430 10.317 5.700 1.00 40.04 C ATOM 997 C ALA A 63 3.812 11.635 5.246 1.00 13.22 C ATOM 998 O ALA A 63 2.996 12.226 5.955 1.00 54.22 O ATOM 999 CB ALA A 63 5.728 10.572 6.451 1.00 22.41 C ATOM 0 H ALA A 63 5.611 9.480 4.183 1.00 2.53 H new ATOM 0 HA ALA A 63 3.725 9.827 6.371 1.00 40.04 H new ATOM 0 HB1 ALA A 63 5.536 11.235 7.295 1.00 22.41 H new ATOM 0 HB2 ALA A 63 6.129 9.626 6.816 1.00 22.41 H new ATOM 0 HB3 ALA A 63 6.451 11.038 5.781 1.00 22.41 H new ATOM 1005 N LEU A 64 4.205 12.092 4.062 1.00 24.45 N ATOM 1006 CA LEU A 64 3.690 13.341 3.514 1.00 10.54 C ATOM 1007 C LEU A 64 2.210 13.214 3.166 1.00 4.21 C ATOM 1008 O LEU A 64 1.484 14.207 3.121 1.00 0.34 O ATOM 1009 CB LEU A 64 4.486 13.743 2.271 1.00 34.50 C ATOM 1010 CG LEU A 64 5.992 13.487 2.327 1.00 61.43 C ATOM 1011 CD1 LEU A 64 6.513 13.068 0.961 1.00 43.02 C ATOM 1012 CD2 LEU A 64 6.725 14.724 2.823 1.00 3.21 C ATOM 0 H LEU A 64 4.879 11.615 3.463 1.00 24.45 H new ATOM 0 HA LEU A 64 3.800 14.115 4.274 1.00 10.54 H new ATOM 0 HB2 LEU A 64 4.078 13.207 1.414 1.00 34.50 H new ATOM 0 HB3 LEU A 64 4.325 14.805 2.089 1.00 34.50 H new ATOM 0 HG LEU A 64 6.177 12.674 3.029 1.00 61.43 H new ATOM 0 HD11 LEU A 64 7.587 12.890 1.020 1.00 43.02 H new ATOM 0 HD12 LEU A 64 6.011 12.154 0.645 1.00 43.02 H new ATOM 0 HD13 LEU A 64 6.316 13.859 0.238 1.00 43.02 H new ATOM 0 HD21 LEU A 64 7.796 14.523 2.856 1.00 3.21 H new ATOM 0 HD22 LEU A 64 6.533 15.557 2.146 1.00 3.21 H new ATOM 0 HD23 LEU A 64 6.372 14.980 3.822 1.00 3.21 H new ATOM 1024 N LYS A 65 1.769 11.985 2.922 1.00 61.11 N ATOM 1025 CA LYS A 65 0.375 11.725 2.581 1.00 3.50 C ATOM 1026 C LYS A 65 -0.021 12.469 1.310 1.00 54.13 C ATOM 1027 O LYS A 65 -1.167 12.896 1.160 1.00 72.44 O ATOM 1028 CB LYS A 65 -0.539 12.142 3.735 1.00 54.41 C ATOM 1029 CG LYS A 65 -0.171 11.506 5.064 1.00 45.21 C ATOM 1030 CD LYS A 65 -0.156 9.990 4.971 1.00 35.43 C ATOM 1031 CE LYS A 65 0.287 9.355 6.281 1.00 41.33 C ATOM 1032 NZ LYS A 65 -0.790 9.394 7.309 1.00 62.05 N ATOM 0 H LYS A 65 2.357 11.152 2.954 1.00 61.11 H new ATOM 0 HA LYS A 65 0.262 10.655 2.405 1.00 3.50 H new ATOM 0 HB2 LYS A 65 -0.506 13.226 3.840 1.00 54.41 H new ATOM 0 HB3 LYS A 65 -1.567 11.877 3.487 1.00 54.41 H new ATOM 0 HG2 LYS A 65 0.810 11.862 5.380 1.00 45.21 H new ATOM 0 HG3 LYS A 65 -0.884 11.818 5.827 1.00 45.21 H new ATOM 0 HD2 LYS A 65 -1.151 9.631 4.710 1.00 35.43 H new ATOM 0 HD3 LYS A 65 0.515 9.680 4.170 1.00 35.43 H new ATOM 0 HE2 LYS A 65 0.581 8.321 6.102 1.00 41.33 H new ATOM 0 HE3 LYS A 65 1.167 9.876 6.658 1.00 41.33 H new ATOM 0 HZ1 LYS A 65 -0.449 8.952 8.186 1.00 62.05 H new ATOM 0 HZ2 LYS A 65 -1.053 10.382 7.499 1.00 62.05 H new ATOM 0 HZ3 LYS A 65 -1.621 8.875 6.961 1.00 62.05 H new ATOM 1046 N LEU A 66 0.931 12.620 0.396 1.00 4.05 N ATOM 1047 CA LEU A 66 0.681 13.311 -0.864 1.00 12.03 C ATOM 1048 C LEU A 66 0.153 12.345 -1.919 1.00 72.50 C ATOM 1049 O LEU A 66 0.420 11.144 -1.866 1.00 61.24 O ATOM 1050 CB LEU A 66 1.962 13.981 -1.364 1.00 72.34 C ATOM 1051 CG LEU A 66 2.066 15.488 -1.131 1.00 5.22 C ATOM 1052 CD1 LEU A 66 3.458 15.988 -1.487 1.00 11.12 C ATOM 1053 CD2 LEU A 66 1.009 16.228 -1.938 1.00 24.40 C ATOM 0 H LEU A 66 1.884 12.273 0.504 1.00 4.05 H new ATOM 0 HA LEU A 66 -0.076 14.075 -0.687 1.00 12.03 H new ATOM 0 HB2 LEU A 66 2.812 13.499 -0.881 1.00 72.34 H new ATOM 0 HB3 LEU A 66 2.054 13.792 -2.434 1.00 72.34 H new ATOM 0 HG LEU A 66 1.890 15.685 -0.074 1.00 5.22 H new ATOM 0 HD11 LEU A 66 3.514 17.063 -1.315 1.00 11.12 H new ATOM 0 HD12 LEU A 66 4.196 15.482 -0.865 1.00 11.12 H new ATOM 0 HD13 LEU A 66 3.663 15.778 -2.537 1.00 11.12 H new ATOM 0 HD21 LEU A 66 1.099 17.299 -1.759 1.00 24.40 H new ATOM 0 HD22 LEU A 66 1.152 16.024 -2.999 1.00 24.40 H new ATOM 0 HD23 LEU A 66 0.018 15.891 -1.635 1.00 24.40 H new ATOM 1065 N LYS A 67 -0.597 12.876 -2.879 1.00 1.35 N ATOM 1066 CA LYS A 67 -1.160 12.063 -3.949 1.00 73.24 C ATOM 1067 C LYS A 67 -0.063 11.544 -4.873 1.00 51.24 C ATOM 1068 O LYS A 67 1.047 12.075 -4.917 1.00 70.23 O ATOM 1069 CB LYS A 67 -2.178 12.875 -4.754 1.00 5.32 C ATOM 1070 CG LYS A 67 -3.620 12.494 -4.471 1.00 54.05 C ATOM 1071 CD LYS A 67 -4.398 13.656 -3.876 1.00 61.21 C ATOM 1072 CE LYS A 67 -5.894 13.497 -4.098 1.00 52.20 C ATOM 1073 NZ LYS A 67 -6.489 14.697 -4.750 1.00 65.22 N ATOM 0 H LYS A 67 -0.829 13.868 -2.937 1.00 1.35 H new ATOM 0 HA LYS A 67 -1.663 11.209 -3.496 1.00 73.24 H new ATOM 0 HB2 LYS A 67 -2.041 13.934 -4.534 1.00 5.32 H new ATOM 0 HB3 LYS A 67 -1.978 12.741 -5.817 1.00 5.32 H new ATOM 0 HG2 LYS A 67 -4.099 12.169 -5.395 1.00 54.05 H new ATOM 0 HG3 LYS A 67 -3.646 11.648 -3.784 1.00 54.05 H new ATOM 0 HD2 LYS A 67 -4.193 13.723 -2.808 1.00 61.21 H new ATOM 0 HD3 LYS A 67 -4.060 14.590 -4.325 1.00 61.21 H new ATOM 0 HE2 LYS A 67 -6.078 12.619 -4.717 1.00 52.20 H new ATOM 0 HE3 LYS A 67 -6.386 13.322 -3.142 1.00 52.20 H new ATOM 0 HZ1 LYS A 67 -7.510 14.549 -4.884 1.00 65.22 H new ATOM 0 HZ2 LYS A 67 -6.336 15.531 -4.148 1.00 65.22 H new ATOM 0 HZ3 LYS A 67 -6.037 14.850 -5.674 1.00 65.22 H new ATOM 1087 N PRO A 68 -0.379 10.483 -5.631 1.00 42.42 N ATOM 1088 CA PRO A 68 0.567 9.872 -6.570 1.00 35.31 C ATOM 1089 C PRO A 68 0.853 10.767 -7.770 1.00 42.32 C ATOM 1090 O PRO A 68 1.972 10.796 -8.282 1.00 13.34 O ATOM 1091 CB PRO A 68 -0.151 8.595 -7.015 1.00 33.14 C ATOM 1092 CG PRO A 68 -1.599 8.888 -6.823 1.00 53.34 C ATOM 1093 CD PRO A 68 -1.683 9.800 -5.631 1.00 31.15 C ATOM 0 HA PRO A 68 1.539 9.694 -6.111 1.00 35.31 H new ATOM 0 HB2 PRO A 68 0.070 8.359 -8.056 1.00 33.14 H new ATOM 0 HB3 PRO A 68 0.162 7.737 -6.420 1.00 33.14 H new ATOM 0 HG2 PRO A 68 -2.022 9.363 -7.708 1.00 53.34 H new ATOM 0 HG3 PRO A 68 -2.163 7.971 -6.653 1.00 53.34 H new ATOM 0 HD2 PRO A 68 -2.507 10.507 -5.724 1.00 31.15 H new ATOM 0 HD3 PRO A 68 -1.844 9.242 -4.709 1.00 31.15 H new ATOM 1101 N ASN A 69 -0.165 11.497 -8.215 1.00 3.34 N ATOM 1102 CA ASN A 69 -0.021 12.394 -9.356 1.00 13.34 C ATOM 1103 C ASN A 69 0.658 13.696 -8.942 1.00 15.52 C ATOM 1104 O ASN A 69 1.140 14.454 -9.785 1.00 32.14 O ATOM 1105 CB ASN A 69 -1.390 12.693 -9.971 1.00 62.34 C ATOM 1106 CG ASN A 69 -2.397 13.165 -8.941 1.00 1.22 C ATOM 1107 OD1 ASN A 69 -2.391 14.329 -8.539 1.00 73.02 O ATOM 1108 ND2 ASN A 69 -3.268 12.261 -8.507 1.00 50.53 N ATOM 0 H ASN A 69 -1.098 11.485 -7.803 1.00 3.34 H new ATOM 0 HA ASN A 69 0.604 11.899 -10.099 1.00 13.34 H new ATOM 0 HB2 ASN A 69 -1.280 13.455 -10.743 1.00 62.34 H new ATOM 0 HB3 ASN A 69 -1.769 11.796 -10.461 1.00 62.34 H new ATOM 0 HD21 ASN A 69 -3.969 12.520 -7.813 1.00 50.53 H new ATOM 0 HD22 ASN A 69 -3.236 11.308 -8.868 1.00 50.53 H new ATOM 1115 N THR A 70 0.692 13.951 -7.637 1.00 41.14 N ATOM 1116 CA THR A 70 1.311 15.161 -7.111 1.00 52.10 C ATOM 1117 C THR A 70 2.484 15.601 -7.979 1.00 23.21 C ATOM 1118 O THR A 70 3.382 14.812 -8.274 1.00 21.40 O ATOM 1119 CB THR A 70 1.804 14.957 -5.666 1.00 52.00 C ATOM 1120 OG1 THR A 70 0.689 14.734 -4.795 1.00 63.21 O ATOM 1121 CG2 THR A 70 2.593 16.166 -5.188 1.00 5.12 C ATOM 0 H THR A 70 0.298 13.335 -6.926 1.00 41.14 H new ATOM 0 HA THR A 70 0.546 15.937 -7.120 1.00 52.10 H new ATOM 0 HB THR A 70 2.459 14.086 -5.648 1.00 52.00 H new ATOM 0 HG1 THR A 70 0.782 13.860 -4.362 1.00 63.21 H new ATOM 0 HG21 THR A 70 2.931 15.999 -4.165 1.00 5.12 H new ATOM 0 HG22 THR A 70 3.457 16.316 -5.836 1.00 5.12 H new ATOM 0 HG23 THR A 70 1.958 17.051 -5.220 1.00 5.12 H new ATOM 1129 N LYS A 71 2.472 16.866 -8.385 1.00 63.23 N ATOM 1130 CA LYS A 71 3.537 17.412 -9.218 1.00 52.54 C ATOM 1131 C LYS A 71 4.556 18.169 -8.372 1.00 54.32 C ATOM 1132 O LYS A 71 4.208 18.766 -7.353 1.00 4.14 O ATOM 1133 CB LYS A 71 2.952 18.342 -10.284 1.00 51.11 C ATOM 1134 CG LYS A 71 1.724 17.777 -10.977 1.00 31.14 C ATOM 1135 CD LYS A 71 0.457 18.492 -10.538 1.00 3.42 C ATOM 1136 CE LYS A 71 -0.781 17.652 -10.810 1.00 64.14 C ATOM 1137 NZ LYS A 71 -2.015 18.293 -10.277 1.00 64.42 N ATOM 0 H LYS A 71 1.736 17.533 -8.151 1.00 63.23 H new ATOM 0 HA LYS A 71 4.044 16.580 -9.708 1.00 52.54 H new ATOM 0 HB2 LYS A 71 2.692 19.294 -9.821 1.00 51.11 H new ATOM 0 HB3 LYS A 71 3.717 18.550 -11.032 1.00 51.11 H new ATOM 0 HG2 LYS A 71 1.840 17.870 -12.057 1.00 31.14 H new ATOM 0 HG3 LYS A 71 1.638 16.713 -10.756 1.00 31.14 H new ATOM 0 HD2 LYS A 71 0.517 18.719 -9.474 1.00 3.42 H new ATOM 0 HD3 LYS A 71 0.375 19.444 -11.063 1.00 3.42 H new ATOM 0 HE2 LYS A 71 -0.887 17.498 -11.884 1.00 64.14 H new ATOM 0 HE3 LYS A 71 -0.659 16.668 -10.358 1.00 64.14 H new ATOM 0 HZ1 LYS A 71 -2.836 17.689 -10.483 1.00 64.42 H new ATOM 0 HZ2 LYS A 71 -1.925 18.417 -9.248 1.00 64.42 H new ATOM 0 HZ3 LYS A 71 -2.146 19.221 -10.727 1.00 64.42 H new ATOM 1151 N ILE A 72 5.812 18.141 -8.802 1.00 44.43 N ATOM 1152 CA ILE A 72 6.880 18.827 -8.085 1.00 41.11 C ATOM 1153 C ILE A 72 7.528 19.898 -8.956 1.00 63.34 C ATOM 1154 O ILE A 72 7.953 19.625 -10.079 1.00 4.34 O ATOM 1155 CB ILE A 72 7.964 17.841 -7.612 1.00 21.13 C ATOM 1156 CG1 ILE A 72 7.334 16.707 -6.800 1.00 53.05 C ATOM 1157 CG2 ILE A 72 9.017 18.567 -6.788 1.00 23.21 C ATOM 1158 CD1 ILE A 72 6.555 17.187 -5.595 1.00 63.44 C ATOM 0 H ILE A 72 6.116 17.651 -9.643 1.00 44.43 H new ATOM 0 HA ILE A 72 6.423 19.298 -7.214 1.00 41.11 H new ATOM 0 HB ILE A 72 8.449 17.410 -8.488 1.00 21.13 H new ATOM 0 HG12 ILE A 72 6.670 16.133 -7.447 1.00 53.05 H new ATOM 0 HG13 ILE A 72 8.120 16.029 -6.468 1.00 53.05 H new ATOM 0 HG21 ILE A 72 9.776 17.857 -6.461 1.00 23.21 H new ATOM 0 HG22 ILE A 72 9.483 19.343 -7.395 1.00 23.21 H new ATOM 0 HG23 ILE A 72 8.547 19.022 -5.916 1.00 23.21 H new ATOM 0 HD11 ILE A 72 6.137 16.330 -5.067 1.00 63.44 H new ATOM 0 HD12 ILE A 72 7.219 17.736 -4.927 1.00 63.44 H new ATOM 0 HD13 ILE A 72 5.747 17.842 -5.921 1.00 63.44 H new ATOM 1170 N MET A 73 7.602 21.116 -8.431 1.00 13.13 N ATOM 1171 CA MET A 73 8.201 22.228 -9.160 1.00 24.33 C ATOM 1172 C MET A 73 9.627 22.485 -8.682 1.00 61.02 C ATOM 1173 O MET A 73 9.920 22.383 -7.491 1.00 43.14 O ATOM 1174 CB MET A 73 7.358 23.492 -8.988 1.00 54.33 C ATOM 1175 CG MET A 73 5.964 23.378 -9.584 1.00 12.30 C ATOM 1176 SD MET A 73 4.885 24.737 -9.092 1.00 31.51 S ATOM 1177 CE MET A 73 5.222 25.924 -10.390 1.00 1.14 C ATOM 0 H MET A 73 7.255 21.358 -7.503 1.00 13.13 H new ATOM 0 HA MET A 73 8.232 21.962 -10.217 1.00 24.33 H new ATOM 0 HB2 MET A 73 7.273 23.720 -7.926 1.00 54.33 H new ATOM 0 HB3 MET A 73 7.876 24.331 -9.453 1.00 54.33 H new ATOM 0 HG2 MET A 73 6.039 23.354 -10.671 1.00 12.30 H new ATOM 0 HG3 MET A 73 5.517 22.434 -9.274 1.00 12.30 H new ATOM 0 HE1 MET A 73 4.627 26.822 -10.225 1.00 1.14 H new ATOM 0 HE2 MET A 73 6.281 26.183 -10.380 1.00 1.14 H new ATOM 0 HE3 MET A 73 4.963 25.490 -11.356 1.00 1.14 H new ATOM 1187 N MET A 74 10.509 22.818 -9.619 1.00 10.41 N ATOM 1188 CA MET A 74 11.904 23.091 -9.292 1.00 71.13 C ATOM 1189 C MET A 74 12.392 24.351 -10.001 1.00 30.45 C ATOM 1190 O MET A 74 12.426 24.409 -11.229 1.00 61.03 O ATOM 1191 CB MET A 74 12.783 21.900 -9.681 1.00 12.45 C ATOM 1192 CG MET A 74 12.412 20.612 -8.964 1.00 71.03 C ATOM 1193 SD MET A 74 13.445 19.220 -9.460 1.00 33.40 S ATOM 1194 CE MET A 74 12.849 18.932 -11.125 1.00 4.24 C ATOM 0 H MET A 74 10.283 22.905 -10.610 1.00 10.41 H new ATOM 0 HA MET A 74 11.975 23.250 -8.216 1.00 71.13 H new ATOM 0 HB2 MET A 74 12.710 21.741 -10.757 1.00 12.45 H new ATOM 0 HB3 MET A 74 13.824 22.141 -9.464 1.00 12.45 H new ATOM 0 HG2 MET A 74 12.502 20.761 -7.888 1.00 71.03 H new ATOM 0 HG3 MET A 74 11.368 20.375 -9.167 1.00 71.03 H new ATOM 0 HE1 MET A 74 12.886 17.865 -11.345 1.00 4.24 H new ATOM 0 HE2 MET A 74 11.821 19.285 -11.210 1.00 4.24 H new ATOM 0 HE3 MET A 74 13.477 19.471 -11.835 1.00 4.24 H new ATOM 1204 N MET A 75 12.768 25.356 -9.217 1.00 42.34 N ATOM 1205 CA MET A 75 13.255 26.615 -9.771 1.00 62.50 C ATOM 1206 C MET A 75 14.768 26.730 -9.611 1.00 33.24 C ATOM 1207 O MET A 75 15.294 26.624 -8.504 1.00 0.13 O ATOM 1208 CB MET A 75 12.566 27.797 -9.088 1.00 5.53 C ATOM 1209 CG MET A 75 11.068 27.856 -9.338 1.00 44.15 C ATOM 1210 SD MET A 75 10.602 29.199 -10.448 1.00 72.40 S ATOM 1211 CE MET A 75 8.874 29.405 -10.022 1.00 64.02 C ATOM 0 H MET A 75 12.745 25.324 -8.198 1.00 42.34 H new ATOM 0 HA MET A 75 13.018 26.632 -10.835 1.00 62.50 H new ATOM 0 HB2 MET A 75 12.745 27.740 -8.014 1.00 5.53 H new ATOM 0 HB3 MET A 75 13.021 28.724 -9.438 1.00 5.53 H new ATOM 0 HG2 MET A 75 10.737 26.908 -9.762 1.00 44.15 H new ATOM 0 HG3 MET A 75 10.549 27.979 -8.387 1.00 44.15 H new ATOM 0 HE1 MET A 75 8.429 30.166 -10.663 1.00 64.02 H new ATOM 0 HE2 MET A 75 8.349 28.460 -10.163 1.00 64.02 H new ATOM 0 HE3 MET A 75 8.790 29.714 -8.980 1.00 64.02 H new ATOM 1221 N GLY A 76 15.462 26.947 -10.724 1.00 12.12 N ATOM 1222 CA GLY A 76 16.907 27.073 -10.684 1.00 60.52 C ATOM 1223 C GLY A 76 17.544 26.870 -12.045 1.00 0.13 C ATOM 1224 O GLY A 76 16.907 27.088 -13.076 1.00 62.11 O ATOM 0 H GLY A 76 15.049 27.038 -11.652 1.00 12.12 H new ATOM 0 HA2 GLY A 76 17.172 28.060 -10.306 1.00 60.52 H new ATOM 0 HA3 GLY A 76 17.313 26.343 -9.984 1.00 60.52 H new ATOM 1228 N THR A 77 18.806 26.453 -12.049 1.00 45.44 N ATOM 1229 CA THR A 77 19.531 26.224 -13.293 1.00 2.40 C ATOM 1230 C THR A 77 20.305 24.912 -13.245 1.00 32.21 C ATOM 1231 O THR A 77 20.827 24.526 -12.199 1.00 1.31 O ATOM 1232 CB THR A 77 20.512 27.374 -13.592 1.00 14.33 C ATOM 1233 OG1 THR A 77 21.291 27.065 -14.752 1.00 71.44 O ATOM 1234 CG2 THR A 77 21.433 27.621 -12.407 1.00 2.31 C ATOM 0 H THR A 77 19.347 26.267 -11.205 1.00 45.44 H new ATOM 0 HA THR A 77 18.786 26.175 -14.088 1.00 2.40 H new ATOM 0 HB THR A 77 19.932 28.278 -13.776 1.00 14.33 H new ATOM 0 HG1 THR A 77 21.910 27.802 -14.936 1.00 71.44 H new ATOM 0 HG21 THR A 77 22.117 28.437 -12.641 1.00 2.31 H new ATOM 0 HG22 THR A 77 20.838 27.886 -11.533 1.00 2.31 H new ATOM 0 HG23 THR A 77 22.005 26.718 -12.196 1.00 2.31 H new