USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 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 44 LYS NZ :NH3+ -135:sc=-0.00742 (180deg=-2.26!) USER MOD Set 1.2: A 75 MET CE :methyl -150:sc= -0.186 (180deg=-0.794) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc=-5.3e-05 (180deg=0) USER MOD Set 2.2: A 73 MET CE :methyl -163:sc=-0.000949 (180deg=0) USER MOD Single : A 12 GLN : amide:sc=-0.00966 X(o=-0.0097,f=-0.35) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.389 USER MOD Single : A 17 THR OG1 : rot 53:sc= 0.0574 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -0.672 (180deg=-2.08!) USER MOD Single : A 30 GLN : amide:sc= -0.863 K(o=-0.86,f=-4.7) USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.567 (180deg=-1.42) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0792 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -4.24! C(o=-4.2!,f=-8.9!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.45 K(o=-2.4,f=-7.9!) 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= -0.11 K(o=-0.11,f=-0.7) USER MOD Single : A 70 THR OG1 : rot 112:sc= -1.2 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -173:sc= -1.33 (180deg=-1.6) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.559 1.466 -2.425 1.00 53.33 N ATOM 19 CA ALA A 2 4.351 2.610 -2.860 1.00 23.21 C ATOM 20 C ALA A 2 3.461 3.807 -3.174 1.00 0.43 C ATOM 21 O ALA A 2 2.303 3.648 -3.561 1.00 54.40 O ATOM 22 CB ALA A 2 5.189 2.240 -4.075 1.00 23.02 C ATOM 0 HA ALA A 2 5.017 2.890 -2.044 1.00 23.21 H new ATOM 0 HB1 ALA A 2 5.775 3.103 -4.389 1.00 23.02 H new ATOM 0 HB2 ALA A 2 5.860 1.420 -3.818 1.00 23.02 H new ATOM 0 HB3 ALA A 2 4.533 1.931 -4.889 1.00 23.02 H new ATOM 28 N LEU A 3 4.008 5.006 -3.004 1.00 22.14 N ATOM 29 CA LEU A 3 3.263 6.232 -3.268 1.00 71.33 C ATOM 30 C LEU A 3 3.869 6.995 -4.442 1.00 75.40 C ATOM 31 O LEU A 3 4.939 7.594 -4.339 1.00 10.04 O ATOM 32 CB LEU A 3 3.245 7.120 -2.023 1.00 33.21 C ATOM 33 CG LEU A 3 1.895 7.261 -1.319 1.00 32.34 C ATOM 34 CD1 LEU A 3 2.018 8.171 -0.106 1.00 75.25 C ATOM 35 CD2 LEU A 3 0.843 7.792 -2.282 1.00 63.52 C ATOM 0 H LEU A 3 4.965 5.155 -2.684 1.00 22.14 H new ATOM 0 HA LEU A 3 2.240 5.958 -3.525 1.00 71.33 H new ATOM 0 HB2 LEU A 3 3.966 6.723 -1.308 1.00 33.21 H new ATOM 0 HB3 LEU A 3 3.591 8.114 -2.305 1.00 33.21 H new ATOM 0 HG LEU A 3 1.581 6.275 -0.978 1.00 32.34 H new ATOM 0 HD11 LEU A 3 1.048 8.260 0.382 1.00 75.25 H new ATOM 0 HD12 LEU A 3 2.739 7.749 0.594 1.00 75.25 H new ATOM 0 HD13 LEU A 3 2.356 9.157 -0.424 1.00 75.25 H new ATOM 0 HD21 LEU A 3 -0.111 7.886 -1.763 1.00 63.52 H new ATOM 0 HD22 LEU A 3 1.151 8.769 -2.655 1.00 63.52 H new ATOM 0 HD23 LEU A 3 0.735 7.102 -3.119 1.00 63.52 H new ATOM 47 N PRO A 4 3.168 6.975 -5.586 1.00 30.13 N ATOM 48 CA PRO A 4 3.616 7.662 -6.800 1.00 41.25 C ATOM 49 C PRO A 4 3.544 9.180 -6.668 1.00 61.40 C ATOM 50 O PRO A 4 2.774 9.706 -5.865 1.00 35.14 O ATOM 51 CB PRO A 4 2.635 7.171 -7.868 1.00 41.51 C ATOM 52 CG PRO A 4 1.408 6.795 -7.111 1.00 43.41 C ATOM 53 CD PRO A 4 1.884 6.281 -5.781 1.00 21.42 C ATOM 0 HA PRO A 4 4.660 7.446 -7.029 1.00 41.25 H new ATOM 0 HB2 PRO A 4 2.425 7.950 -8.601 1.00 41.51 H new ATOM 0 HB3 PRO A 4 3.039 6.319 -8.415 1.00 41.51 H new ATOM 0 HG2 PRO A 4 0.749 7.654 -6.984 1.00 43.41 H new ATOM 0 HG3 PRO A 4 0.839 6.033 -7.643 1.00 43.41 H new ATOM 0 HD2 PRO A 4 1.177 6.513 -4.984 1.00 21.42 H new ATOM 0 HD3 PRO A 4 2.010 5.198 -5.790 1.00 21.42 H new ATOM 61 N ILE A 5 4.351 9.877 -7.461 1.00 33.01 N ATOM 62 CA ILE A 5 4.376 11.334 -7.432 1.00 44.15 C ATOM 63 C ILE A 5 4.765 11.904 -8.793 1.00 31.44 C ATOM 64 O ILE A 5 5.664 11.389 -9.458 1.00 72.14 O ATOM 65 CB ILE A 5 5.359 11.859 -6.369 1.00 12.20 C ATOM 66 CG1 ILE A 5 5.006 11.291 -4.993 1.00 11.43 C ATOM 67 CG2 ILE A 5 5.345 13.380 -6.340 1.00 14.20 C ATOM 68 CD1 ILE A 5 5.798 11.910 -3.862 1.00 40.54 C ATOM 0 H ILE A 5 4.995 9.457 -8.131 1.00 33.01 H new ATOM 0 HA ILE A 5 3.368 11.662 -7.177 1.00 44.15 H new ATOM 0 HB ILE A 5 6.365 11.530 -6.630 1.00 12.20 H new ATOM 0 HG12 ILE A 5 3.943 11.444 -4.808 1.00 11.43 H new ATOM 0 HG13 ILE A 5 5.177 10.214 -4.999 1.00 11.43 H new ATOM 0 HG21 ILE A 5 6.045 13.736 -5.584 1.00 14.20 H new ATOM 0 HG22 ILE A 5 5.639 13.765 -7.316 1.00 14.20 H new ATOM 0 HG23 ILE A 5 4.341 13.730 -6.099 1.00 14.20 H new ATOM 0 HD11 ILE A 5 5.495 11.459 -2.917 1.00 40.54 H new ATOM 0 HD12 ILE A 5 6.862 11.734 -4.024 1.00 40.54 H new ATOM 0 HD13 ILE A 5 5.608 12.983 -3.830 1.00 40.54 H new ATOM 80 N ILE A 6 4.083 12.970 -9.198 1.00 61.52 N ATOM 81 CA ILE A 6 4.359 13.611 -10.478 1.00 21.14 C ATOM 82 C ILE A 6 5.320 14.783 -10.309 1.00 51.00 C ATOM 83 O ILE A 6 5.231 15.539 -9.341 1.00 71.51 O ATOM 84 CB ILE A 6 3.066 14.114 -11.146 1.00 32.21 C ATOM 85 CG1 ILE A 6 2.303 12.946 -11.774 1.00 71.30 C ATOM 86 CG2 ILE A 6 3.387 15.169 -12.194 1.00 71.31 C ATOM 87 CD1 ILE A 6 0.804 13.036 -11.593 1.00 52.12 C ATOM 0 H ILE A 6 3.336 13.408 -8.659 1.00 61.52 H new ATOM 0 HA ILE A 6 4.818 12.857 -11.117 1.00 21.14 H new ATOM 0 HB ILE A 6 2.434 14.568 -10.383 1.00 32.21 H new ATOM 0 HG12 ILE A 6 2.530 12.905 -12.839 1.00 71.30 H new ATOM 0 HG13 ILE A 6 2.658 12.013 -11.336 1.00 71.30 H new ATOM 0 HG21 ILE A 6 2.463 15.515 -12.657 1.00 71.31 H new ATOM 0 HG22 ILE A 6 3.892 16.011 -11.720 1.00 71.31 H new ATOM 0 HG23 ILE A 6 4.036 14.739 -12.957 1.00 71.31 H new ATOM 0 HD11 ILE A 6 0.328 12.175 -12.063 1.00 52.12 H new ATOM 0 HD12 ILE A 6 0.566 13.046 -10.529 1.00 52.12 H new ATOM 0 HD13 ILE A 6 0.436 13.952 -12.056 1.00 52.12 H new ATOM 99 N VAL A 7 6.238 14.930 -11.259 1.00 70.11 N ATOM 100 CA VAL A 7 7.214 16.012 -11.218 1.00 2.11 C ATOM 101 C VAL A 7 7.210 16.806 -12.520 1.00 30.25 C ATOM 102 O VAL A 7 7.406 16.249 -13.600 1.00 42.21 O ATOM 103 CB VAL A 7 8.635 15.477 -10.961 1.00 23.53 C ATOM 104 CG1 VAL A 7 9.051 14.515 -12.063 1.00 62.41 C ATOM 105 CG2 VAL A 7 9.624 16.626 -10.844 1.00 4.32 C ATOM 0 H VAL A 7 6.326 14.313 -12.067 1.00 70.11 H new ATOM 0 HA VAL A 7 6.926 16.667 -10.395 1.00 2.11 H new ATOM 0 HB VAL A 7 8.634 14.932 -10.017 1.00 23.53 H new ATOM 0 HG11 VAL A 7 10.058 14.147 -11.864 1.00 62.41 H new ATOM 0 HG12 VAL A 7 8.357 13.675 -12.093 1.00 62.41 H new ATOM 0 HG13 VAL A 7 9.037 15.032 -13.022 1.00 62.41 H new ATOM 0 HG21 VAL A 7 10.623 16.229 -10.662 1.00 4.32 H new ATOM 0 HG22 VAL A 7 9.625 17.201 -11.770 1.00 4.32 H new ATOM 0 HG23 VAL A 7 9.334 17.272 -10.016 1.00 4.32 H new ATOM 115 N LYS A 8 6.985 18.111 -12.410 1.00 23.35 N ATOM 116 CA LYS A 8 6.957 18.984 -13.577 1.00 31.20 C ATOM 117 C LYS A 8 8.192 19.877 -13.618 1.00 45.43 C ATOM 118 O LYS A 8 8.418 20.682 -12.714 1.00 64.23 O ATOM 119 CB LYS A 8 5.692 19.845 -13.565 1.00 31.02 C ATOM 120 CG LYS A 8 5.583 20.749 -12.349 1.00 44.33 C ATOM 121 CD LYS A 8 4.135 20.966 -11.943 1.00 24.44 C ATOM 122 CE LYS A 8 3.434 21.942 -12.875 1.00 64.40 C ATOM 123 NZ LYS A 8 3.289 23.290 -12.259 1.00 63.24 N ATOM 0 H LYS A 8 6.819 18.587 -11.523 1.00 23.35 H new ATOM 0 HA LYS A 8 6.954 18.357 -14.469 1.00 31.20 H new ATOM 0 HB2 LYS A 8 5.671 20.458 -14.466 1.00 31.02 H new ATOM 0 HB3 LYS A 8 4.819 19.194 -13.602 1.00 31.02 H new ATOM 0 HG2 LYS A 8 6.133 20.309 -11.517 1.00 44.33 H new ATOM 0 HG3 LYS A 8 6.049 21.710 -12.566 1.00 44.33 H new ATOM 0 HD2 LYS A 8 3.607 20.012 -11.950 1.00 24.44 H new ATOM 0 HD3 LYS A 8 4.095 21.345 -10.922 1.00 24.44 H new ATOM 0 HE2 LYS A 8 3.998 22.026 -13.804 1.00 64.40 H new ATOM 0 HE3 LYS A 8 2.449 21.553 -13.134 1.00 64.40 H new ATOM 0 HZ1 LYS A 8 2.807 23.926 -12.925 1.00 63.24 H new ATOM 0 HZ2 LYS A 8 2.729 23.214 -11.386 1.00 63.24 H new ATOM 0 HZ3 LYS A 8 4.230 23.672 -12.035 1.00 63.24 H new ATOM 137 N TRP A 9 8.987 19.731 -14.672 1.00 42.52 N ATOM 138 CA TRP A 9 10.199 20.527 -14.831 1.00 42.12 C ATOM 139 C TRP A 9 10.150 21.343 -16.118 1.00 53.31 C ATOM 140 O TRP A 9 10.344 20.811 -17.210 1.00 24.21 O ATOM 141 CB TRP A 9 11.432 19.621 -14.834 1.00 53.33 C ATOM 142 CG TRP A 9 12.631 20.252 -15.475 1.00 52.11 C ATOM 143 CD1 TRP A 9 13.334 19.776 -16.544 1.00 64.33 C ATOM 144 CD2 TRP A 9 13.267 21.474 -15.086 1.00 24.14 C ATOM 145 NE1 TRP A 9 14.370 20.628 -16.843 1.00 21.11 N ATOM 146 CE2 TRP A 9 14.350 21.678 -15.963 1.00 62.23 C ATOM 147 CE3 TRP A 9 13.027 22.417 -14.082 1.00 70.44 C ATOM 148 CZ2 TRP A 9 15.189 22.784 -15.865 1.00 43.51 C ATOM 149 CZ3 TRP A 9 13.861 23.514 -13.986 1.00 51.22 C ATOM 150 CH2 TRP A 9 14.931 23.691 -14.874 1.00 12.45 C ATOM 0 H TRP A 9 8.814 19.069 -15.429 1.00 42.52 H new ATOM 0 HA TRP A 9 10.264 21.216 -13.989 1.00 42.12 H new ATOM 0 HB2 TRP A 9 11.678 19.351 -13.807 1.00 53.33 H new ATOM 0 HB3 TRP A 9 11.193 18.696 -15.359 1.00 53.33 H new ATOM 0 HD1 TRP A 9 13.109 18.864 -17.077 1.00 64.33 H new ATOM 0 HE1 TRP A 9 15.044 20.500 -17.597 1.00 21.11 H new ATOM 0 HE3 TRP A 9 12.204 22.290 -13.394 1.00 70.44 H new ATOM 0 HZ2 TRP A 9 16.015 22.921 -16.547 1.00 43.51 H new ATOM 0 HZ3 TRP A 9 13.686 24.248 -13.213 1.00 51.22 H new ATOM 0 HH2 TRP A 9 15.564 24.560 -14.774 1.00 12.45 H new ATOM 161 N GLY A 10 9.888 22.640 -15.982 1.00 70.11 N ATOM 162 CA GLY A 10 9.818 23.508 -17.143 1.00 11.22 C ATOM 163 C GLY A 10 8.399 23.694 -17.643 1.00 1.00 C ATOM 164 O GLY A 10 7.741 24.679 -17.312 1.00 51.43 O ATOM 0 H GLY A 10 9.723 23.104 -15.089 1.00 70.11 H new ATOM 0 HA2 GLY A 10 10.242 24.480 -16.892 1.00 11.22 H new ATOM 0 HA3 GLY A 10 10.430 23.090 -17.943 1.00 11.22 H new ATOM 168 N GLY A 11 7.927 22.744 -18.445 1.00 15.42 N ATOM 169 CA GLY A 11 6.580 22.828 -18.980 1.00 63.33 C ATOM 170 C GLY A 11 5.986 21.464 -19.269 1.00 71.34 C ATOM 171 O GLY A 11 5.040 21.345 -20.048 1.00 31.25 O ATOM 0 H GLY A 11 8.453 21.919 -18.733 1.00 15.42 H new ATOM 0 HA2 GLY A 11 5.943 23.356 -18.270 1.00 63.33 H new ATOM 0 HA3 GLY A 11 6.592 23.417 -19.897 1.00 63.33 H new ATOM 175 N GLN A 12 6.543 20.432 -18.643 1.00 12.32 N ATOM 176 CA GLN A 12 6.063 19.070 -18.840 1.00 34.34 C ATOM 177 C GLN A 12 5.794 18.388 -17.502 1.00 4.53 C ATOM 178 O GLN A 12 6.059 18.956 -16.442 1.00 61.33 O ATOM 179 CB GLN A 12 7.081 18.259 -19.643 1.00 75.33 C ATOM 180 CG GLN A 12 6.906 18.384 -21.148 1.00 71.53 C ATOM 181 CD GLN A 12 5.740 17.567 -21.670 1.00 41.23 C ATOM 182 OE1 GLN A 12 4.594 18.018 -21.651 1.00 62.55 O ATOM 183 NE2 GLN A 12 6.027 16.359 -22.140 1.00 74.24 N ATOM 0 H GLN A 12 7.327 20.514 -17.995 1.00 12.32 H new ATOM 0 HA GLN A 12 5.127 19.119 -19.397 1.00 34.34 H new ATOM 0 HB2 GLN A 12 8.086 18.584 -19.374 1.00 75.33 H new ATOM 0 HB3 GLN A 12 7.000 17.209 -19.362 1.00 75.33 H new ATOM 0 HG2 GLN A 12 6.755 19.432 -21.407 1.00 71.53 H new ATOM 0 HG3 GLN A 12 7.821 18.062 -21.644 1.00 71.53 H new ATOM 0 HE21 GLN A 12 6.991 16.026 -22.136 1.00 74.24 H new ATOM 0 HE22 GLN A 12 5.283 15.764 -22.505 1.00 74.24 H new ATOM 192 N GLU A 13 5.267 17.169 -17.559 1.00 5.31 N ATOM 193 CA GLU A 13 4.963 16.412 -16.351 1.00 13.14 C ATOM 194 C GLU A 13 5.483 14.982 -16.459 1.00 72.43 C ATOM 195 O GLU A 13 5.423 14.367 -17.524 1.00 71.05 O ATOM 196 CB GLU A 13 3.454 16.400 -16.097 1.00 31.14 C ATOM 197 CG GLU A 13 2.870 17.777 -15.831 1.00 42.54 C ATOM 198 CD GLU A 13 1.373 17.741 -15.593 1.00 61.22 C ATOM 199 OE1 GLU A 13 0.753 16.695 -15.878 1.00 62.35 O ATOM 200 OE2 GLU A 13 0.822 18.757 -15.122 1.00 54.12 O ATOM 0 H GLU A 13 5.042 16.685 -18.428 1.00 5.31 H new ATOM 0 HA GLU A 13 5.462 16.899 -15.513 1.00 13.14 H new ATOM 0 HB2 GLU A 13 2.952 15.963 -16.960 1.00 31.14 H new ATOM 0 HB3 GLU A 13 3.243 15.754 -15.245 1.00 31.14 H new ATOM 0 HG2 GLU A 13 3.362 18.214 -14.962 1.00 42.54 H new ATOM 0 HG3 GLU A 13 3.084 18.428 -16.679 1.00 42.54 H new ATOM 207 N TYR A 14 5.993 14.458 -15.350 1.00 43.32 N ATOM 208 CA TYR A 14 6.527 13.102 -15.321 1.00 30.35 C ATOM 209 C TYR A 14 6.114 12.382 -14.041 1.00 32.35 C ATOM 210 O TYR A 14 6.490 12.784 -12.940 1.00 22.44 O ATOM 211 CB TYR A 14 8.052 13.129 -15.434 1.00 61.42 C ATOM 212 CG TYR A 14 8.553 13.774 -16.707 1.00 22.34 C ATOM 213 CD1 TYR A 14 8.548 15.155 -16.857 1.00 54.10 C ATOM 214 CD2 TYR A 14 9.031 13.002 -17.759 1.00 3.35 C ATOM 215 CE1 TYR A 14 9.004 15.749 -18.018 1.00 13.01 C ATOM 216 CE2 TYR A 14 9.491 13.588 -18.922 1.00 73.44 C ATOM 217 CZ TYR A 14 9.475 14.961 -19.047 1.00 53.14 C ATOM 218 OH TYR A 14 9.930 15.548 -20.206 1.00 22.02 O ATOM 0 H TYR A 14 6.048 14.952 -14.459 1.00 43.32 H new ATOM 0 HA TYR A 14 6.116 12.559 -16.172 1.00 30.35 H new ATOM 0 HB2 TYR A 14 8.462 13.666 -14.579 1.00 61.42 H new ATOM 0 HB3 TYR A 14 8.430 12.108 -15.381 1.00 61.42 H new ATOM 0 HD1 TYR A 14 8.181 15.775 -16.052 1.00 54.10 H new ATOM 0 HD2 TYR A 14 9.043 11.926 -17.666 1.00 3.35 H new ATOM 0 HE1 TYR A 14 8.992 16.824 -18.119 1.00 13.01 H new ATOM 0 HE2 TYR A 14 9.861 12.974 -19.729 1.00 73.44 H new ATOM 0 HH TYR A 14 10.228 14.853 -20.830 1.00 22.02 H new ATOM 228 N SER A 15 5.337 11.314 -14.194 1.00 42.03 N ATOM 229 CA SER A 15 4.869 10.538 -13.052 1.00 2.22 C ATOM 230 C SER A 15 5.944 9.564 -12.580 1.00 30.40 C ATOM 231 O SER A 15 6.608 8.914 -13.388 1.00 52.33 O ATOM 232 CB SER A 15 3.595 9.773 -13.415 1.00 41.23 C ATOM 233 OG SER A 15 2.615 9.904 -12.400 1.00 73.24 O ATOM 0 H SER A 15 5.018 10.967 -15.099 1.00 42.03 H new ATOM 0 HA SER A 15 4.649 11.231 -12.240 1.00 2.22 H new ATOM 0 HB2 SER A 15 3.198 10.148 -14.358 1.00 41.23 H new ATOM 0 HB3 SER A 15 3.830 8.719 -13.564 1.00 41.23 H new ATOM 0 HG SER A 15 1.810 9.408 -12.657 1.00 73.24 H new ATOM 239 N VAL A 16 6.110 9.467 -11.265 1.00 30.24 N ATOM 240 CA VAL A 16 7.103 8.571 -10.683 1.00 51.42 C ATOM 241 C VAL A 16 6.485 7.225 -10.323 1.00 13.34 C ATOM 242 O VAL A 16 5.343 7.155 -9.867 1.00 14.40 O ATOM 243 CB VAL A 16 7.742 9.184 -9.423 1.00 41.51 C ATOM 244 CG1 VAL A 16 8.729 8.211 -8.797 1.00 35.42 C ATOM 245 CG2 VAL A 16 8.422 10.503 -9.759 1.00 2.11 C ATOM 0 H VAL A 16 5.570 9.998 -10.582 1.00 30.24 H new ATOM 0 HA VAL A 16 7.876 8.422 -11.437 1.00 51.42 H new ATOM 0 HB VAL A 16 6.954 9.382 -8.697 1.00 41.51 H new ATOM 0 HG11 VAL A 16 9.170 8.662 -7.908 1.00 35.42 H new ATOM 0 HG12 VAL A 16 8.209 7.294 -8.519 1.00 35.42 H new ATOM 0 HG13 VAL A 16 9.516 7.979 -9.515 1.00 35.42 H new ATOM 0 HG21 VAL A 16 8.868 10.922 -8.857 1.00 2.11 H new ATOM 0 HG22 VAL A 16 9.200 10.332 -10.503 1.00 2.11 H new ATOM 0 HG23 VAL A 16 7.686 11.201 -10.158 1.00 2.11 H new ATOM 255 N THR A 17 7.247 6.156 -10.529 1.00 30.32 N ATOM 256 CA THR A 17 6.775 4.811 -10.226 1.00 74.43 C ATOM 257 C THR A 17 7.940 3.865 -9.960 1.00 45.34 C ATOM 258 O THR A 17 8.470 3.241 -10.880 1.00 44.24 O ATOM 259 CB THR A 17 5.920 4.243 -11.376 1.00 4.42 C ATOM 260 OG1 THR A 17 6.525 4.556 -12.636 1.00 13.33 O ATOM 261 CG2 THR A 17 4.509 4.808 -11.331 1.00 14.15 C ATOM 0 H THR A 17 8.194 6.196 -10.905 1.00 30.32 H new ATOM 0 HA THR A 17 6.161 4.887 -9.329 1.00 74.43 H new ATOM 0 HB THR A 17 5.865 3.161 -11.259 1.00 4.42 H new ATOM 0 HG1 THR A 17 7.460 4.262 -12.632 1.00 13.33 H new ATOM 0 HG21 THR A 17 3.924 4.393 -12.152 1.00 14.15 H new ATOM 0 HG22 THR A 17 4.041 4.544 -10.383 1.00 14.15 H new ATOM 0 HG23 THR A 17 4.548 5.893 -11.426 1.00 14.15 H new ATOM 269 N THR A 18 8.337 3.763 -8.695 1.00 75.54 N ATOM 270 CA THR A 18 9.440 2.893 -8.308 1.00 44.23 C ATOM 271 C THR A 18 9.738 3.013 -6.818 1.00 73.50 C ATOM 272 O THR A 18 10.157 2.047 -6.179 1.00 23.21 O ATOM 273 CB THR A 18 10.719 3.221 -9.103 1.00 74.30 C ATOM 274 OG1 THR A 18 11.838 2.531 -8.536 1.00 42.00 O ATOM 275 CG2 THR A 18 10.987 4.718 -9.104 1.00 55.10 C ATOM 0 H THR A 18 7.910 4.273 -7.921 1.00 75.54 H new ATOM 0 HA THR A 18 9.132 1.872 -8.533 1.00 44.23 H new ATOM 0 HB THR A 18 10.574 2.894 -10.133 1.00 74.30 H new ATOM 0 HG1 THR A 18 12.647 2.743 -9.047 1.00 42.00 H new ATOM 0 HG21 THR A 18 11.895 4.925 -9.671 1.00 55.10 H new ATOM 0 HG22 THR A 18 10.146 5.238 -9.563 1.00 55.10 H new ATOM 0 HG23 THR A 18 11.113 5.066 -8.079 1.00 55.10 H new ATOM 283 N LEU A 19 9.517 4.202 -6.269 1.00 63.10 N ATOM 284 CA LEU A 19 9.761 4.447 -4.852 1.00 1.52 C ATOM 285 C LEU A 19 8.529 4.106 -4.020 1.00 52.02 C ATOM 286 O LEU A 19 7.426 3.977 -4.551 1.00 72.50 O ATOM 287 CB LEU A 19 10.153 5.909 -4.627 1.00 60.12 C ATOM 288 CG LEU A 19 11.595 6.156 -4.182 1.00 51.45 C ATOM 289 CD1 LEU A 19 12.406 6.767 -5.315 1.00 74.22 C ATOM 290 CD2 LEU A 19 11.628 7.056 -2.956 1.00 13.13 C ATOM 0 H LEU A 19 9.169 5.011 -6.783 1.00 63.10 H new ATOM 0 HA LEU A 19 10.581 3.804 -4.534 1.00 1.52 H new ATOM 0 HB2 LEU A 19 9.981 6.457 -5.553 1.00 60.12 H new ATOM 0 HB3 LEU A 19 9.485 6.332 -3.877 1.00 60.12 H new ATOM 0 HG LEU A 19 12.042 5.198 -3.917 1.00 51.45 H new ATOM 0 HD11 LEU A 19 13.429 6.936 -4.980 1.00 74.22 H new ATOM 0 HD12 LEU A 19 12.411 6.087 -6.167 1.00 74.22 H new ATOM 0 HD13 LEU A 19 11.960 7.716 -5.611 1.00 74.22 H new ATOM 0 HD21 LEU A 19 12.662 7.221 -2.653 1.00 13.13 H new ATOM 0 HD22 LEU A 19 11.163 8.012 -3.194 1.00 13.13 H new ATOM 0 HD23 LEU A 19 11.083 6.580 -2.141 1.00 13.13 H new ATOM 302 N SER A 20 8.724 3.964 -2.713 1.00 61.42 N ATOM 303 CA SER A 20 7.629 3.636 -1.808 1.00 30.21 C ATOM 304 C SER A 20 7.695 4.488 -0.544 1.00 42.12 C ATOM 305 O SER A 20 8.648 5.240 -0.340 1.00 33.45 O ATOM 306 CB SER A 20 7.671 2.152 -1.439 1.00 24.35 C ATOM 307 OG SER A 20 8.934 1.586 -1.745 1.00 73.34 O ATOM 0 H SER A 20 9.630 4.071 -2.257 1.00 61.42 H new ATOM 0 HA SER A 20 6.691 3.849 -2.320 1.00 30.21 H new ATOM 0 HB2 SER A 20 7.463 2.032 -0.376 1.00 24.35 H new ATOM 0 HB3 SER A 20 6.889 1.618 -1.979 1.00 24.35 H new ATOM 0 HG SER A 20 8.936 0.638 -1.498 1.00 73.34 H new ATOM 313 N GLU A 21 6.675 4.364 0.300 1.00 44.44 N ATOM 314 CA GLU A 21 6.617 5.124 1.543 1.00 22.10 C ATOM 315 C GLU A 21 7.772 4.746 2.466 1.00 32.43 C ATOM 316 O GLU A 21 8.124 5.496 3.377 1.00 73.50 O ATOM 317 CB GLU A 21 5.283 4.883 2.252 1.00 72.21 C ATOM 318 CG GLU A 21 4.071 5.142 1.373 1.00 51.51 C ATOM 319 CD GLU A 21 2.777 4.673 2.009 1.00 1.35 C ATOM 320 OE1 GLU A 21 2.633 4.822 3.241 1.00 61.21 O ATOM 321 OE2 GLU A 21 1.908 4.157 1.275 1.00 4.52 O ATOM 0 H GLU A 21 5.879 3.745 0.146 1.00 44.44 H new ATOM 0 HA GLU A 21 6.703 6.182 1.297 1.00 22.10 H new ATOM 0 HB2 GLU A 21 5.251 3.853 2.607 1.00 72.21 H new ATOM 0 HB3 GLU A 21 5.227 5.525 3.131 1.00 72.21 H new ATOM 0 HG2 GLU A 21 4.002 6.209 1.162 1.00 51.51 H new ATOM 0 HG3 GLU A 21 4.206 4.636 0.417 1.00 51.51 H new ATOM 328 N ASP A 22 8.356 3.577 2.224 1.00 3.45 N ATOM 329 CA ASP A 22 9.471 3.099 3.033 1.00 24.50 C ATOM 330 C ASP A 22 10.722 3.937 2.785 1.00 34.13 C ATOM 331 O ASP A 22 11.709 3.828 3.513 1.00 34.41 O ATOM 332 CB ASP A 22 9.759 1.628 2.724 1.00 13.42 C ATOM 333 CG ASP A 22 10.235 0.863 3.943 1.00 13.03 C ATOM 334 OD1 ASP A 22 9.753 1.160 5.057 1.00 54.35 O ATOM 335 OD2 ASP A 22 11.089 -0.034 3.784 1.00 13.20 O ATOM 0 H ASP A 22 8.076 2.944 1.475 1.00 3.45 H new ATOM 0 HA ASP A 22 9.193 3.195 4.083 1.00 24.50 H new ATOM 0 HB2 ASP A 22 8.856 1.158 2.334 1.00 13.42 H new ATOM 0 HB3 ASP A 22 10.515 1.565 1.941 1.00 13.42 H new ATOM 340 N ASP A 23 10.673 4.772 1.754 1.00 54.24 N ATOM 341 CA ASP A 23 11.801 5.629 1.410 1.00 41.45 C ATOM 342 C ASP A 23 11.611 7.032 1.977 1.00 12.44 C ATOM 343 O ASP A 23 10.946 7.217 2.997 1.00 32.35 O ATOM 344 CB ASP A 23 11.972 5.699 -0.109 1.00 12.12 C ATOM 345 CG ASP A 23 11.829 4.343 -0.770 1.00 74.44 C ATOM 346 OD1 ASP A 23 12.182 3.330 -0.131 1.00 21.34 O ATOM 347 OD2 ASP A 23 11.362 4.294 -1.928 1.00 22.44 O ATOM 0 H ASP A 23 9.864 4.874 1.141 1.00 54.24 H new ATOM 0 HA ASP A 23 12.700 5.197 1.850 1.00 41.45 H new ATOM 0 HB2 ASP A 23 11.231 6.382 -0.524 1.00 12.12 H new ATOM 0 HB3 ASP A 23 12.953 6.112 -0.343 1.00 12.12 H new ATOM 352 N THR A 24 12.200 8.020 1.311 1.00 41.32 N ATOM 353 CA THR A 24 12.098 9.406 1.750 1.00 53.23 C ATOM 354 C THR A 24 11.850 10.340 0.570 1.00 30.43 C ATOM 355 O THR A 24 12.025 9.955 -0.586 1.00 44.41 O ATOM 356 CB THR A 24 13.372 9.857 2.488 1.00 41.30 C ATOM 357 OG1 THR A 24 14.453 8.968 2.187 1.00 22.35 O ATOM 358 CG2 THR A 24 13.142 9.895 3.991 1.00 22.43 C ATOM 0 H THR A 24 12.753 7.886 0.465 1.00 41.32 H new ATOM 0 HA THR A 24 11.252 9.459 2.436 1.00 53.23 H new ATOM 0 HB THR A 24 13.625 10.862 2.150 1.00 41.30 H new ATOM 0 HG1 THR A 24 15.260 9.263 2.659 1.00 22.35 H new ATOM 0 HG21 THR A 24 14.056 10.216 4.491 1.00 22.43 H new ATOM 0 HG22 THR A 24 12.338 10.595 4.219 1.00 22.43 H new ATOM 0 HG23 THR A 24 12.867 8.901 4.342 1.00 22.43 H new ATOM 366 N VAL A 25 11.442 11.569 0.870 1.00 74.32 N ATOM 367 CA VAL A 25 11.171 12.558 -0.166 1.00 45.34 C ATOM 368 C VAL A 25 12.410 12.814 -1.018 1.00 12.41 C ATOM 369 O VAL A 25 12.328 12.891 -2.245 1.00 24.14 O ATOM 370 CB VAL A 25 10.695 13.891 0.441 1.00 11.10 C ATOM 371 CG1 VAL A 25 10.608 14.966 -0.632 1.00 12.04 C ATOM 372 CG2 VAL A 25 9.354 13.710 1.136 1.00 31.01 C ATOM 0 H VAL A 25 11.292 11.903 1.822 1.00 74.32 H new ATOM 0 HA VAL A 25 10.379 12.150 -0.794 1.00 45.34 H new ATOM 0 HB VAL A 25 11.424 14.213 1.185 1.00 11.10 H new ATOM 0 HG11 VAL A 25 10.270 15.901 -0.184 1.00 12.04 H new ATOM 0 HG12 VAL A 25 11.591 15.113 -1.080 1.00 12.04 H new ATOM 0 HG13 VAL A 25 9.901 14.656 -1.401 1.00 12.04 H new ATOM 0 HG21 VAL A 25 9.032 14.661 1.559 1.00 31.01 H new ATOM 0 HG22 VAL A 25 8.614 13.365 0.414 1.00 31.01 H new ATOM 0 HG23 VAL A 25 9.454 12.973 1.933 1.00 31.01 H new ATOM 382 N LEU A 26 13.556 12.946 -0.360 1.00 64.20 N ATOM 383 CA LEU A 26 14.814 13.193 -1.057 1.00 2.05 C ATOM 384 C LEU A 26 15.174 12.020 -1.963 1.00 4.23 C ATOM 385 O LEU A 26 15.812 12.198 -3.001 1.00 75.11 O ATOM 386 CB LEU A 26 15.939 13.438 -0.049 1.00 35.44 C ATOM 387 CG LEU A 26 16.854 12.247 0.238 1.00 35.43 C ATOM 388 CD1 LEU A 26 17.985 12.186 -0.776 1.00 72.02 C ATOM 389 CD2 LEU A 26 17.407 12.328 1.653 1.00 5.43 C ATOM 0 H LEU A 26 13.641 12.886 0.655 1.00 64.20 H new ATOM 0 HA LEU A 26 14.689 14.081 -1.676 1.00 2.05 H new ATOM 0 HB2 LEU A 26 16.552 14.262 -0.413 1.00 35.44 H new ATOM 0 HB3 LEU A 26 15.493 13.763 0.891 1.00 35.44 H new ATOM 0 HG LEU A 26 16.267 11.333 0.151 1.00 35.43 H new ATOM 0 HD11 LEU A 26 18.626 11.332 -0.556 1.00 72.02 H new ATOM 0 HD12 LEU A 26 17.570 12.079 -1.778 1.00 72.02 H new ATOM 0 HD13 LEU A 26 18.572 13.103 -0.722 1.00 72.02 H new ATOM 0 HD21 LEU A 26 18.056 11.472 1.840 1.00 5.43 H new ATOM 0 HD22 LEU A 26 17.979 13.249 1.768 1.00 5.43 H new ATOM 0 HD23 LEU A 26 16.583 12.321 2.367 1.00 5.43 H new ATOM 401 N ASP A 27 14.761 10.822 -1.564 1.00 13.50 N ATOM 402 CA ASP A 27 15.037 9.620 -2.342 1.00 13.13 C ATOM 403 C ASP A 27 14.188 9.586 -3.609 1.00 44.11 C ATOM 404 O ASP A 27 14.626 9.091 -4.649 1.00 33.33 O ATOM 405 CB ASP A 27 14.770 8.371 -1.501 1.00 30.41 C ATOM 406 CG ASP A 27 15.648 7.202 -1.905 1.00 54.53 C ATOM 407 OD1 ASP A 27 16.877 7.394 -2.013 1.00 32.23 O ATOM 408 OD2 ASP A 27 15.105 6.097 -2.115 1.00 42.12 O ATOM 0 H ASP A 27 14.234 10.657 -0.706 1.00 13.50 H new ATOM 0 HA ASP A 27 16.088 9.637 -2.631 1.00 13.13 H new ATOM 0 HB2 ASP A 27 14.939 8.602 -0.449 1.00 30.41 H new ATOM 0 HB3 ASP A 27 13.723 8.086 -1.601 1.00 30.41 H new ATOM 413 N LEU A 28 12.973 10.115 -3.516 1.00 22.42 N ATOM 414 CA LEU A 28 12.062 10.144 -4.655 1.00 1.12 C ATOM 415 C LEU A 28 12.426 11.273 -5.614 1.00 63.53 C ATOM 416 O LEU A 28 12.516 11.068 -6.825 1.00 52.21 O ATOM 417 CB LEU A 28 10.620 10.313 -4.175 1.00 14.02 C ATOM 418 CG LEU A 28 9.530 9.942 -5.181 1.00 34.52 C ATOM 419 CD1 LEU A 28 8.787 8.695 -4.727 1.00 33.41 C ATOM 420 CD2 LEU A 28 8.563 11.101 -5.372 1.00 34.11 C ATOM 0 H LEU A 28 12.596 10.530 -2.664 1.00 22.42 H new ATOM 0 HA LEU A 28 12.153 9.197 -5.186 1.00 1.12 H new ATOM 0 HB2 LEU A 28 10.483 9.706 -3.280 1.00 14.02 H new ATOM 0 HB3 LEU A 28 10.476 11.352 -3.880 1.00 14.02 H new ATOM 0 HG LEU A 28 10.004 9.729 -6.139 1.00 34.52 H new ATOM 0 HD11 LEU A 28 8.015 8.446 -5.455 1.00 33.41 H new ATOM 0 HD12 LEU A 28 9.488 7.864 -4.643 1.00 33.41 H new ATOM 0 HD13 LEU A 28 8.325 8.880 -3.757 1.00 33.41 H new ATOM 0 HD21 LEU A 28 7.794 10.819 -6.091 1.00 34.11 H new ATOM 0 HD22 LEU A 28 8.095 11.346 -4.418 1.00 34.11 H new ATOM 0 HD23 LEU A 28 9.106 11.970 -5.743 1.00 34.11 H new ATOM 432 N LYS A 29 12.638 12.464 -5.065 1.00 74.13 N ATOM 433 CA LYS A 29 12.996 13.625 -5.871 1.00 10.34 C ATOM 434 C LYS A 29 14.333 13.409 -6.572 1.00 2.50 C ATOM 435 O LYS A 29 14.432 13.539 -7.792 1.00 33.32 O ATOM 436 CB LYS A 29 13.064 14.878 -4.994 1.00 40.02 C ATOM 437 CG LYS A 29 11.782 15.693 -4.997 1.00 20.41 C ATOM 438 CD LYS A 29 10.846 15.263 -3.880 1.00 1.15 C ATOM 439 CE LYS A 29 9.837 14.233 -4.363 1.00 31.11 C ATOM 440 NZ LYS A 29 8.437 14.720 -4.222 1.00 34.31 N ATOM 0 H LYS A 29 12.568 12.651 -4.065 1.00 74.13 H new ATOM 0 HA LYS A 29 12.226 13.761 -6.630 1.00 10.34 H new ATOM 0 HB2 LYS A 29 13.294 14.583 -3.970 1.00 40.02 H new ATOM 0 HB3 LYS A 29 13.885 15.507 -5.337 1.00 40.02 H new ATOM 0 HG2 LYS A 29 12.022 16.750 -4.885 1.00 20.41 H new ATOM 0 HG3 LYS A 29 11.280 15.580 -5.958 1.00 20.41 H new ATOM 0 HD2 LYS A 29 11.427 14.846 -3.057 1.00 1.15 H new ATOM 0 HD3 LYS A 29 10.320 16.134 -3.490 1.00 1.15 H new ATOM 0 HE2 LYS A 29 10.035 13.993 -5.408 1.00 31.11 H new ATOM 0 HE3 LYS A 29 9.960 13.311 -3.795 1.00 31.11 H new ATOM 0 HZ1 LYS A 29 7.845 14.293 -4.963 1.00 34.31 H new ATOM 0 HZ2 LYS A 29 8.069 14.452 -3.287 1.00 34.31 H new ATOM 0 HZ3 LYS A 29 8.418 15.755 -4.317 1.00 34.31 H new ATOM 454 N GLN A 30 15.358 13.079 -5.793 1.00 42.01 N ATOM 455 CA GLN A 30 16.689 12.845 -6.341 1.00 70.41 C ATOM 456 C GLN A 30 16.653 11.759 -7.412 1.00 2.20 C ATOM 457 O GLN A 30 17.539 11.684 -8.264 1.00 55.33 O ATOM 458 CB GLN A 30 17.659 12.447 -5.227 1.00 44.15 C ATOM 459 CG GLN A 30 17.592 10.974 -4.859 1.00 62.20 C ATOM 460 CD GLN A 30 18.618 10.139 -5.601 1.00 12.43 C ATOM 461 OE1 GLN A 30 18.320 9.546 -6.638 1.00 12.22 O ATOM 462 NE2 GLN A 30 19.835 10.089 -5.072 1.00 12.31 N ATOM 0 H GLN A 30 15.293 12.968 -4.781 1.00 42.01 H new ATOM 0 HA GLN A 30 17.034 13.771 -6.800 1.00 70.41 H new ATOM 0 HB2 GLN A 30 18.675 12.689 -5.538 1.00 44.15 H new ATOM 0 HB3 GLN A 30 17.446 13.044 -4.341 1.00 44.15 H new ATOM 0 HG2 GLN A 30 17.748 10.864 -3.786 1.00 62.20 H new ATOM 0 HG3 GLN A 30 16.594 10.594 -5.077 1.00 62.20 H new ATOM 0 HE21 GLN A 30 20.038 10.596 -4.211 1.00 12.31 H new ATOM 0 HE22 GLN A 30 20.567 9.543 -5.527 1.00 12.31 H new ATOM 471 N PHE A 31 15.625 10.919 -7.362 1.00 55.41 N ATOM 472 CA PHE A 31 15.474 9.837 -8.327 1.00 61.33 C ATOM 473 C PHE A 31 14.947 10.364 -9.658 1.00 55.14 C ATOM 474 O PHE A 31 15.554 10.151 -10.709 1.00 1.14 O ATOM 475 CB PHE A 31 14.529 8.765 -7.780 1.00 63.21 C ATOM 476 CG PHE A 31 14.370 7.583 -8.694 1.00 10.24 C ATOM 477 CD1 PHE A 31 13.393 7.577 -9.676 1.00 40.00 C ATOM 478 CD2 PHE A 31 15.197 6.478 -8.569 1.00 51.43 C ATOM 479 CE1 PHE A 31 13.244 6.491 -10.519 1.00 10.45 C ATOM 480 CE2 PHE A 31 15.053 5.390 -9.409 1.00 52.21 C ATOM 481 CZ PHE A 31 14.074 5.396 -10.384 1.00 44.21 C ATOM 0 H PHE A 31 14.884 10.967 -6.663 1.00 55.41 H new ATOM 0 HA PHE A 31 16.456 9.395 -8.495 1.00 61.33 H new ATOM 0 HB2 PHE A 31 14.902 8.421 -6.816 1.00 63.21 H new ATOM 0 HB3 PHE A 31 13.550 9.211 -7.602 1.00 63.21 H new ATOM 0 HD1 PHE A 31 12.740 8.430 -9.784 1.00 40.00 H new ATOM 0 HD2 PHE A 31 15.962 6.467 -7.807 1.00 51.43 H new ATOM 0 HE1 PHE A 31 12.480 6.499 -11.282 1.00 10.45 H new ATOM 0 HE2 PHE A 31 15.705 4.536 -9.303 1.00 52.21 H new ATOM 0 HZ PHE A 31 13.958 4.545 -11.039 1.00 44.21 H new ATOM 491 N LEU A 32 13.812 11.053 -9.607 1.00 32.21 N ATOM 492 CA LEU A 32 13.200 11.611 -10.808 1.00 45.21 C ATOM 493 C LEU A 32 14.050 12.744 -11.375 1.00 62.35 C ATOM 494 O LEU A 32 14.243 12.843 -12.587 1.00 51.04 O ATOM 495 CB LEU A 32 11.792 12.121 -10.497 1.00 42.35 C ATOM 496 CG LEU A 32 11.664 13.039 -9.281 1.00 52.34 C ATOM 497 CD1 LEU A 32 11.721 14.499 -9.706 1.00 23.53 C ATOM 498 CD2 LEU A 32 10.373 12.751 -8.530 1.00 14.15 C ATOM 0 H LEU A 32 13.297 11.239 -8.746 1.00 32.21 H new ATOM 0 HA LEU A 32 13.136 10.820 -11.555 1.00 45.21 H new ATOM 0 HB2 LEU A 32 11.419 12.655 -11.371 1.00 42.35 H new ATOM 0 HB3 LEU A 32 11.140 11.260 -10.348 1.00 42.35 H new ATOM 0 HG LEU A 32 12.502 12.844 -8.612 1.00 52.34 H new ATOM 0 HD11 LEU A 32 11.628 15.138 -8.828 1.00 23.53 H new ATOM 0 HD12 LEU A 32 12.672 14.697 -10.200 1.00 23.53 H new ATOM 0 HD13 LEU A 32 10.903 14.709 -10.395 1.00 23.53 H new ATOM 0 HD21 LEU A 32 10.298 13.413 -7.668 1.00 14.15 H new ATOM 0 HD22 LEU A 32 9.523 12.918 -9.191 1.00 14.15 H new ATOM 0 HD23 LEU A 32 10.372 11.715 -8.193 1.00 14.15 H new ATOM 510 N LYS A 33 14.558 13.595 -10.491 1.00 44.31 N ATOM 511 CA LYS A 33 15.391 14.719 -10.902 1.00 1.51 C ATOM 512 C LYS A 33 16.569 14.244 -11.746 1.00 41.14 C ATOM 513 O LYS A 33 17.083 14.984 -12.586 1.00 64.42 O ATOM 514 CB LYS A 33 15.903 15.477 -9.675 1.00 14.14 C ATOM 515 CG LYS A 33 17.400 15.728 -9.695 1.00 45.45 C ATOM 516 CD LYS A 33 18.176 14.518 -9.203 1.00 12.13 C ATOM 517 CE LYS A 33 19.487 14.352 -9.956 1.00 31.43 C ATOM 518 NZ LYS A 33 20.651 14.818 -9.153 1.00 12.44 N ATOM 0 H LYS A 33 14.407 13.528 -9.484 1.00 44.31 H new ATOM 0 HA LYS A 33 14.780 15.389 -11.507 1.00 1.51 H new ATOM 0 HB2 LYS A 33 15.384 16.433 -9.607 1.00 14.14 H new ATOM 0 HB3 LYS A 33 15.650 14.912 -8.778 1.00 14.14 H new ATOM 0 HG2 LYS A 33 17.715 15.975 -10.709 1.00 45.45 H new ATOM 0 HG3 LYS A 33 17.634 16.590 -9.070 1.00 45.45 H new ATOM 0 HD2 LYS A 33 18.378 14.623 -8.137 1.00 12.13 H new ATOM 0 HD3 LYS A 33 17.569 13.621 -9.325 1.00 12.13 H new ATOM 0 HE2 LYS A 33 19.624 13.303 -10.219 1.00 31.43 H new ATOM 0 HE3 LYS A 33 19.443 14.912 -10.890 1.00 31.43 H new ATOM 0 HZ1 LYS A 33 21.443 15.043 -9.788 1.00 12.44 H new ATOM 0 HZ2 LYS A 33 20.385 15.669 -8.617 1.00 12.44 H new ATOM 0 HZ3 LYS A 33 20.939 14.069 -8.492 1.00 12.44 H new ATOM 532 N THR A 34 16.992 13.004 -11.520 1.00 11.24 N ATOM 533 CA THR A 34 18.109 12.430 -12.260 1.00 14.24 C ATOM 534 C THR A 34 17.667 11.953 -13.638 1.00 62.33 C ATOM 535 O THR A 34 18.478 11.848 -14.559 1.00 63.54 O ATOM 536 CB THR A 34 18.740 11.249 -11.498 1.00 13.53 C ATOM 537 OG1 THR A 34 20.167 11.318 -11.584 1.00 63.54 O ATOM 538 CG2 THR A 34 18.255 9.922 -12.060 1.00 21.30 C ATOM 0 H THR A 34 16.577 12.378 -10.830 1.00 11.24 H new ATOM 0 HA THR A 34 18.853 13.219 -12.373 1.00 14.24 H new ATOM 0 HB THR A 34 18.436 11.315 -10.453 1.00 13.53 H new ATOM 0 HG1 THR A 34 20.561 10.565 -11.096 1.00 63.54 H new ATOM 0 HG21 THR A 34 18.714 9.103 -11.506 1.00 21.30 H new ATOM 0 HG22 THR A 34 17.171 9.861 -11.966 1.00 21.30 H new ATOM 0 HG23 THR A 34 18.532 9.849 -13.112 1.00 21.30 H new ATOM 546 N LEU A 35 16.377 11.665 -13.775 1.00 4.43 N ATOM 547 CA LEU A 35 15.827 11.199 -15.043 1.00 3.40 C ATOM 548 C LEU A 35 15.673 12.355 -16.027 1.00 64.40 C ATOM 549 O LEU A 35 16.264 12.347 -17.108 1.00 12.42 O ATOM 550 CB LEU A 35 14.474 10.523 -14.817 1.00 11.42 C ATOM 551 CG LEU A 35 14.379 9.601 -13.601 1.00 22.10 C ATOM 552 CD1 LEU A 35 12.970 9.048 -13.459 1.00 72.52 C ATOM 553 CD2 LEU A 35 15.390 8.469 -13.711 1.00 22.34 C ATOM 0 H LEU A 35 15.692 11.746 -13.023 1.00 4.43 H new ATOM 0 HA LEU A 35 16.522 10.474 -15.468 1.00 3.40 H new ATOM 0 HB2 LEU A 35 13.715 11.299 -14.720 1.00 11.42 H new ATOM 0 HB3 LEU A 35 14.226 9.944 -15.707 1.00 11.42 H new ATOM 0 HG LEU A 35 14.610 10.183 -12.709 1.00 22.10 H new ATOM 0 HD11 LEU A 35 12.922 8.394 -12.588 1.00 72.52 H new ATOM 0 HD12 LEU A 35 12.267 9.871 -13.334 1.00 72.52 H new ATOM 0 HD13 LEU A 35 12.710 8.481 -14.353 1.00 72.52 H new ATOM 0 HD21 LEU A 35 15.309 7.822 -12.837 1.00 22.34 H new ATOM 0 HD22 LEU A 35 15.190 7.889 -14.612 1.00 22.34 H new ATOM 0 HD23 LEU A 35 16.397 8.884 -13.763 1.00 22.34 H new ATOM 565 N THR A 36 14.877 13.349 -15.645 1.00 64.42 N ATOM 566 CA THR A 36 14.647 14.512 -16.493 1.00 35.43 C ATOM 567 C THR A 36 14.732 15.804 -15.688 1.00 62.35 C ATOM 568 O THR A 36 15.073 16.858 -16.223 1.00 73.15 O ATOM 569 CB THR A 36 13.271 14.440 -17.183 1.00 22.24 C ATOM 570 OG1 THR A 36 13.025 15.648 -17.911 1.00 32.12 O ATOM 571 CG2 THR A 36 12.164 14.222 -16.162 1.00 5.21 C ATOM 0 H THR A 36 14.381 13.372 -14.754 1.00 64.42 H new ATOM 0 HA THR A 36 15.428 14.509 -17.254 1.00 35.43 H new ATOM 0 HB THR A 36 13.278 13.596 -17.872 1.00 22.24 H new ATOM 0 HG1 THR A 36 12.149 15.594 -18.348 1.00 32.12 H new ATOM 0 HG21 THR A 36 11.202 14.175 -16.673 1.00 5.21 H new ATOM 0 HG22 THR A 36 12.339 13.287 -15.630 1.00 5.21 H new ATOM 0 HG23 THR A 36 12.157 15.048 -15.451 1.00 5.21 H new ATOM 579 N GLY A 37 14.421 15.715 -14.399 1.00 22.53 N ATOM 580 CA GLY A 37 14.470 16.884 -13.541 1.00 41.43 C ATOM 581 C GLY A 37 15.872 17.446 -13.406 1.00 35.22 C ATOM 582 O GLY A 37 16.811 16.946 -14.025 1.00 20.13 O ATOM 0 H GLY A 37 14.136 14.854 -13.933 1.00 22.53 H new ATOM 0 HA2 GLY A 37 13.811 17.653 -13.943 1.00 41.43 H new ATOM 0 HA3 GLY A 37 14.090 16.622 -12.553 1.00 41.43 H new ATOM 586 N VAL A 38 16.013 18.490 -12.595 1.00 64.41 N ATOM 587 CA VAL A 38 17.310 19.120 -12.381 1.00 3.43 C ATOM 588 C VAL A 38 17.796 18.906 -10.952 1.00 1.34 C ATOM 589 O VAL A 38 17.019 18.998 -10.000 1.00 25.22 O ATOM 590 CB VAL A 38 17.254 20.632 -12.671 1.00 61.01 C ATOM 591 CG1 VAL A 38 15.971 21.235 -12.119 1.00 25.34 C ATOM 592 CG2 VAL A 38 18.474 21.331 -12.091 1.00 44.23 C ATOM 0 H VAL A 38 15.246 18.917 -12.076 1.00 64.41 H new ATOM 0 HA VAL A 38 18.008 18.650 -13.074 1.00 3.43 H new ATOM 0 HB VAL A 38 17.260 20.777 -13.751 1.00 61.01 H new ATOM 0 HG11 VAL A 38 15.949 22.303 -12.333 1.00 25.34 H new ATOM 0 HG12 VAL A 38 15.112 20.754 -12.587 1.00 25.34 H new ATOM 0 HG13 VAL A 38 15.931 21.081 -11.041 1.00 25.34 H new ATOM 0 HG21 VAL A 38 18.418 22.398 -12.305 1.00 44.23 H new ATOM 0 HG22 VAL A 38 18.502 21.178 -11.012 1.00 44.23 H new ATOM 0 HG23 VAL A 38 19.378 20.918 -12.539 1.00 44.23 H new ATOM 602 N LEU A 39 19.085 18.621 -10.807 1.00 45.15 N ATOM 603 CA LEU A 39 19.677 18.394 -9.493 1.00 53.22 C ATOM 604 C LEU A 39 19.407 19.574 -8.564 1.00 65.51 C ATOM 605 O LEU A 39 19.268 20.718 -8.997 1.00 71.52 O ATOM 606 CB LEU A 39 21.184 18.166 -9.623 1.00 34.23 C ATOM 607 CG LEU A 39 21.893 18.971 -10.712 1.00 24.12 C ATOM 608 CD1 LEU A 39 21.691 18.323 -12.073 1.00 34.35 C ATOM 609 CD2 LEU A 39 21.394 20.408 -10.724 1.00 14.21 C ATOM 0 H LEU A 39 19.741 18.541 -11.584 1.00 45.15 H new ATOM 0 HA LEU A 39 19.218 17.504 -9.063 1.00 53.22 H new ATOM 0 HB2 LEU A 39 21.650 18.398 -8.666 1.00 34.23 H new ATOM 0 HB3 LEU A 39 21.356 17.106 -9.812 1.00 34.23 H new ATOM 0 HG LEU A 39 22.961 18.980 -10.492 1.00 24.12 H new ATOM 0 HD11 LEU A 39 22.203 18.910 -12.835 1.00 34.35 H new ATOM 0 HD12 LEU A 39 22.099 17.312 -12.059 1.00 34.35 H new ATOM 0 HD13 LEU A 39 20.626 18.281 -12.302 1.00 34.35 H new ATOM 0 HD21 LEU A 39 21.910 20.966 -11.506 1.00 14.21 H new ATOM 0 HD22 LEU A 39 20.321 20.419 -10.918 1.00 14.21 H new ATOM 0 HD23 LEU A 39 21.593 20.870 -9.757 1.00 14.21 H new ATOM 621 N PRO A 40 19.335 19.291 -7.255 1.00 14.11 N ATOM 622 CA PRO A 40 19.085 20.316 -6.237 1.00 33.33 C ATOM 623 C PRO A 40 20.267 21.264 -6.066 1.00 54.04 C ATOM 624 O PRO A 40 20.110 22.383 -5.579 1.00 22.12 O ATOM 625 CB PRO A 40 18.865 19.501 -4.960 1.00 33.42 C ATOM 626 CG PRO A 40 19.599 18.225 -5.193 1.00 55.33 C ATOM 627 CD PRO A 40 19.491 17.950 -6.668 1.00 22.23 C ATOM 0 HA PRO A 40 18.243 20.956 -6.501 1.00 33.33 H new ATOM 0 HB2 PRO A 40 19.250 20.025 -4.085 1.00 33.42 H new ATOM 0 HB3 PRO A 40 17.805 19.321 -4.783 1.00 33.42 H new ATOM 0 HG2 PRO A 40 20.642 18.313 -4.887 1.00 55.33 H new ATOM 0 HG3 PRO A 40 19.164 17.412 -4.611 1.00 55.33 H new ATOM 0 HD2 PRO A 40 20.379 17.446 -7.049 1.00 22.23 H new ATOM 0 HD3 PRO A 40 18.639 17.310 -6.896 1.00 22.23 H new ATOM 635 N GLU A 41 21.448 20.809 -6.472 1.00 20.13 N ATOM 636 CA GLU A 41 22.656 21.618 -6.363 1.00 10.32 C ATOM 637 C GLU A 41 22.465 22.974 -7.037 1.00 63.22 C ATOM 638 O GLU A 41 22.931 23.998 -6.538 1.00 51.30 O ATOM 639 CB GLU A 41 23.845 20.887 -6.990 1.00 12.11 C ATOM 640 CG GLU A 41 25.103 21.735 -7.078 1.00 72.34 C ATOM 641 CD GLU A 41 25.430 22.432 -5.772 1.00 74.11 C ATOM 642 OE1 GLU A 41 25.204 21.827 -4.703 1.00 63.24 O ATOM 643 OE2 GLU A 41 25.911 23.583 -5.819 1.00 43.32 O ATOM 0 H GLU A 41 21.594 19.885 -6.879 1.00 20.13 H new ATOM 0 HA GLU A 41 22.858 21.783 -5.305 1.00 10.32 H new ATOM 0 HB2 GLU A 41 24.060 19.992 -6.405 1.00 12.11 H new ATOM 0 HB3 GLU A 41 23.570 20.555 -7.991 1.00 12.11 H new ATOM 0 HG2 GLU A 41 25.943 21.103 -7.368 1.00 72.34 H new ATOM 0 HG3 GLU A 41 24.979 22.481 -7.863 1.00 72.34 H new ATOM 650 N ARG A 42 21.778 22.971 -8.175 1.00 20.43 N ATOM 651 CA ARG A 42 21.527 24.199 -8.919 1.00 70.21 C ATOM 652 C ARG A 42 20.087 24.666 -8.728 1.00 31.31 C ATOM 653 O ARG A 42 19.826 25.860 -8.583 1.00 22.44 O ATOM 654 CB ARG A 42 21.812 23.986 -10.407 1.00 20.11 C ATOM 655 CG ARG A 42 23.252 24.273 -10.798 1.00 65.32 C ATOM 656 CD ARG A 42 23.749 23.295 -11.852 1.00 54.33 C ATOM 657 NE ARG A 42 25.074 23.654 -12.351 1.00 33.24 N ATOM 658 CZ ARG A 42 26.201 23.380 -11.704 1.00 1.25 C ATOM 659 NH1 ARG A 42 26.164 22.748 -10.539 1.00 20.13 N ATOM 660 NH2 ARG A 42 27.369 23.739 -12.222 1.00 32.22 N ATOM 0 H ARG A 42 21.385 22.132 -8.602 1.00 20.43 H new ATOM 0 HA ARG A 42 22.195 24.970 -8.535 1.00 70.21 H new ATOM 0 HB2 ARG A 42 21.571 22.956 -10.671 1.00 20.11 H new ATOM 0 HB3 ARG A 42 21.151 24.627 -10.990 1.00 20.11 H new ATOM 0 HG2 ARG A 42 23.331 25.291 -11.179 1.00 65.32 H new ATOM 0 HG3 ARG A 42 23.889 24.213 -9.915 1.00 65.32 H new ATOM 0 HD2 ARG A 42 23.781 22.291 -11.429 1.00 54.33 H new ATOM 0 HD3 ARG A 42 23.044 23.268 -12.683 1.00 54.33 H new ATOM 0 HE ARG A 42 25.137 24.142 -13.245 1.00 33.24 H new ATOM 0 HH11 ARG A 42 25.268 22.471 -10.137 1.00 20.13 H new ATOM 0 HH12 ARG A 42 27.031 22.539 -10.044 1.00 20.13 H new ATOM 0 HH21 ARG A 42 27.402 24.226 -13.118 1.00 32.22 H new ATOM 0 HH22 ARG A 42 28.234 23.528 -11.724 1.00 32.22 H new ATOM 674 N GLN A 43 19.157 23.716 -8.730 1.00 22.13 N ATOM 675 CA GLN A 43 17.744 24.031 -8.558 1.00 31.23 C ATOM 676 C GLN A 43 17.315 23.835 -7.107 1.00 61.03 C ATOM 677 O GLN A 43 17.947 23.092 -6.357 1.00 24.45 O ATOM 678 CB GLN A 43 16.889 23.156 -9.477 1.00 43.40 C ATOM 679 CG GLN A 43 16.498 21.824 -8.858 1.00 40.15 C ATOM 680 CD GLN A 43 15.253 21.923 -7.999 1.00 72.25 C ATOM 681 OE1 GLN A 43 14.501 22.894 -8.086 1.00 35.24 O ATOM 682 NE2 GLN A 43 15.028 20.915 -7.164 1.00 42.31 N ATOM 0 H GLN A 43 19.357 22.723 -8.849 1.00 22.13 H new ATOM 0 HA GLN A 43 17.596 25.078 -8.824 1.00 31.23 H new ATOM 0 HB2 GLN A 43 15.985 23.702 -9.746 1.00 43.40 H new ATOM 0 HB3 GLN A 43 17.436 22.971 -10.401 1.00 43.40 H new ATOM 0 HG2 GLN A 43 16.331 21.094 -9.650 1.00 40.15 H new ATOM 0 HG3 GLN A 43 17.324 21.453 -8.252 1.00 40.15 H new ATOM 0 HE21 GLN A 43 15.678 20.130 -7.125 1.00 42.31 H new ATOM 0 HE22 GLN A 43 14.205 20.926 -6.562 1.00 42.31 H new ATOM 691 N LYS A 44 16.237 24.507 -6.718 1.00 51.04 N ATOM 692 CA LYS A 44 15.722 24.407 -5.358 1.00 11.10 C ATOM 693 C LYS A 44 14.231 24.086 -5.363 1.00 14.40 C ATOM 694 O LYS A 44 13.485 24.567 -6.217 1.00 53.12 O ATOM 695 CB LYS A 44 15.971 25.713 -4.599 1.00 61.52 C ATOM 696 CG LYS A 44 14.912 26.772 -4.848 1.00 11.41 C ATOM 697 CD LYS A 44 14.878 27.195 -6.307 1.00 72.01 C ATOM 698 CE LYS A 44 14.669 28.695 -6.448 1.00 74.12 C ATOM 699 NZ LYS A 44 14.962 29.168 -7.829 1.00 42.42 N ATOM 0 H LYS A 44 15.703 25.127 -7.326 1.00 51.04 H new ATOM 0 HA LYS A 44 16.249 23.596 -4.856 1.00 11.10 H new ATOM 0 HB2 LYS A 44 16.016 25.500 -3.531 1.00 61.52 H new ATOM 0 HB3 LYS A 44 16.945 26.110 -4.886 1.00 61.52 H new ATOM 0 HG2 LYS A 44 13.935 26.386 -4.557 1.00 11.41 H new ATOM 0 HG3 LYS A 44 15.111 27.641 -4.221 1.00 11.41 H new ATOM 0 HD2 LYS A 44 15.812 26.910 -6.791 1.00 72.01 H new ATOM 0 HD3 LYS A 44 14.077 26.665 -6.822 1.00 72.01 H new ATOM 0 HE2 LYS A 44 13.640 28.944 -6.189 1.00 74.12 H new ATOM 0 HE3 LYS A 44 15.311 29.219 -5.741 1.00 74.12 H new ATOM 0 HZ1 LYS A 44 15.534 30.035 -7.785 1.00 42.42 H new ATOM 0 HZ2 LYS A 44 15.487 28.433 -8.344 1.00 42.42 H new ATOM 0 HZ3 LYS A 44 14.070 29.367 -8.324 1.00 42.42 H new ATOM 713 N LEU A 45 13.802 23.273 -4.404 1.00 51.11 N ATOM 714 CA LEU A 45 12.399 22.889 -4.297 1.00 15.50 C ATOM 715 C LEU A 45 11.534 24.087 -3.914 1.00 64.24 C ATOM 716 O LEU A 45 11.892 24.868 -3.032 1.00 24.23 O ATOM 717 CB LEU A 45 12.232 21.775 -3.263 1.00 73.50 C ATOM 718 CG LEU A 45 12.717 20.388 -3.687 1.00 73.22 C ATOM 719 CD1 LEU A 45 12.060 19.969 -4.993 1.00 41.15 C ATOM 720 CD2 LEU A 45 14.232 20.371 -3.820 1.00 65.45 C ATOM 0 H LEU A 45 14.406 22.867 -3.689 1.00 51.11 H new ATOM 0 HA LEU A 45 12.073 22.524 -5.271 1.00 15.50 H new ATOM 0 HB2 LEU A 45 12.766 22.064 -2.358 1.00 73.50 H new ATOM 0 HB3 LEU A 45 11.176 21.705 -3.001 1.00 73.50 H new ATOM 0 HG LEU A 45 12.432 19.673 -2.915 1.00 73.22 H new ATOM 0 HD11 LEU A 45 12.417 18.980 -5.279 1.00 41.15 H new ATOM 0 HD12 LEU A 45 10.978 19.941 -4.863 1.00 41.15 H new ATOM 0 HD13 LEU A 45 12.313 20.686 -5.774 1.00 41.15 H new ATOM 0 HD21 LEU A 45 14.560 19.376 -4.122 1.00 65.45 H new ATOM 0 HD22 LEU A 45 14.539 21.098 -4.571 1.00 65.45 H new ATOM 0 HD23 LEU A 45 14.684 20.626 -2.862 1.00 65.45 H new ATOM 732 N LEU A 46 10.394 24.224 -4.582 1.00 44.34 N ATOM 733 CA LEU A 46 9.477 25.325 -4.311 1.00 52.51 C ATOM 734 C LEU A 46 8.529 24.975 -3.169 1.00 14.42 C ATOM 735 O LEU A 46 8.410 25.720 -2.197 1.00 13.03 O ATOM 736 CB LEU A 46 8.675 25.668 -5.568 1.00 12.42 C ATOM 737 CG LEU A 46 9.459 26.321 -6.707 1.00 14.42 C ATOM 738 CD1 LEU A 46 10.181 25.267 -7.531 1.00 31.21 C ATOM 739 CD2 LEU A 46 8.532 27.147 -7.588 1.00 33.54 C ATOM 0 H LEU A 46 10.083 23.587 -5.315 1.00 44.34 H new ATOM 0 HA LEU A 46 10.067 26.193 -4.016 1.00 52.51 H new ATOM 0 HB2 LEU A 46 8.220 24.752 -5.945 1.00 12.42 H new ATOM 0 HB3 LEU A 46 7.861 26.335 -5.285 1.00 12.42 H new ATOM 0 HG LEU A 46 10.205 26.987 -6.274 1.00 14.42 H new ATOM 0 HD11 LEU A 46 10.733 25.750 -8.337 1.00 31.21 H new ATOM 0 HD12 LEU A 46 10.875 24.719 -6.893 1.00 31.21 H new ATOM 0 HD13 LEU A 46 9.453 24.575 -7.954 1.00 31.21 H new ATOM 0 HD21 LEU A 46 9.107 27.604 -8.393 1.00 33.54 H new ATOM 0 HD22 LEU A 46 7.763 26.502 -8.013 1.00 33.54 H new ATOM 0 HD23 LEU A 46 8.061 27.927 -6.990 1.00 33.54 H new ATOM 751 N GLY A 47 7.857 23.835 -3.293 1.00 34.35 N ATOM 752 CA GLY A 47 6.929 23.405 -2.262 1.00 63.55 C ATOM 753 C GLY A 47 7.488 22.282 -1.411 1.00 63.22 C ATOM 754 O GLY A 47 6.856 21.236 -1.257 1.00 24.23 O ATOM 0 H GLY A 47 7.938 23.201 -4.088 1.00 34.35 H new ATOM 0 HA2 GLY A 47 6.682 24.253 -1.623 1.00 63.55 H new ATOM 0 HA3 GLY A 47 6.000 23.076 -2.728 1.00 63.55 H new ATOM 758 N LEU A 48 8.677 22.496 -0.858 1.00 50.44 N ATOM 759 CA LEU A 48 9.323 21.493 -0.019 1.00 12.20 C ATOM 760 C LEU A 48 8.456 21.155 1.190 1.00 71.55 C ATOM 761 O LEU A 48 8.645 20.122 1.834 1.00 41.44 O ATOM 762 CB LEU A 48 10.692 21.993 0.445 1.00 20.22 C ATOM 763 CG LEU A 48 10.687 23.239 1.331 1.00 51.44 C ATOM 764 CD1 LEU A 48 10.517 22.855 2.792 1.00 14.42 C ATOM 765 CD2 LEU A 48 11.966 24.039 1.133 1.00 43.21 C ATOM 0 H LEU A 48 9.213 23.356 -0.976 1.00 50.44 H new ATOM 0 HA LEU A 48 9.455 20.589 -0.613 1.00 12.20 H new ATOM 0 HB2 LEU A 48 11.186 21.187 0.988 1.00 20.22 H new ATOM 0 HB3 LEU A 48 11.298 22.201 -0.437 1.00 20.22 H new ATOM 0 HG LEU A 48 9.842 23.864 1.041 1.00 51.44 H new ATOM 0 HD11 LEU A 48 10.516 23.755 3.407 1.00 14.42 H new ATOM 0 HD12 LEU A 48 9.573 22.326 2.922 1.00 14.42 H new ATOM 0 HD13 LEU A 48 11.340 22.209 3.096 1.00 14.42 H new ATOM 0 HD21 LEU A 48 11.945 24.922 1.771 1.00 43.21 H new ATOM 0 HD22 LEU A 48 12.825 23.422 1.395 1.00 43.21 H new ATOM 0 HD23 LEU A 48 12.045 24.347 0.090 1.00 43.21 H new ATOM 777 N LYS A 49 7.503 22.030 1.491 1.00 34.42 N ATOM 778 CA LYS A 49 6.603 21.823 2.620 1.00 41.01 C ATOM 779 C LYS A 49 5.163 21.657 2.145 1.00 41.22 C ATOM 780 O LYS A 49 4.734 22.310 1.193 1.00 32.32 O ATOM 781 CB LYS A 49 6.697 22.998 3.595 1.00 3.44 C ATOM 782 CG LYS A 49 7.234 24.271 2.964 1.00 40.30 C ATOM 783 CD LYS A 49 7.126 25.453 3.913 1.00 53.11 C ATOM 784 CE LYS A 49 6.886 26.753 3.160 1.00 72.43 C ATOM 785 NZ LYS A 49 6.028 27.692 3.934 1.00 72.04 N ATOM 0 H LYS A 49 7.334 22.890 0.969 1.00 34.42 H new ATOM 0 HA LYS A 49 6.906 20.909 3.131 1.00 41.01 H new ATOM 0 HB2 LYS A 49 5.708 23.196 4.008 1.00 3.44 H new ATOM 0 HB3 LYS A 49 7.340 22.717 4.429 1.00 3.44 H new ATOM 0 HG2 LYS A 49 8.276 24.126 2.680 1.00 40.30 H new ATOM 0 HG3 LYS A 49 6.681 24.486 2.049 1.00 40.30 H new ATOM 0 HD2 LYS A 49 6.311 25.283 4.616 1.00 53.11 H new ATOM 0 HD3 LYS A 49 8.041 25.535 4.500 1.00 53.11 H new ATOM 0 HE2 LYS A 49 7.842 27.229 2.944 1.00 72.43 H new ATOM 0 HE3 LYS A 49 6.414 26.536 2.202 1.00 72.43 H new ATOM 0 HZ1 LYS A 49 5.888 28.565 3.387 1.00 72.04 H new ATOM 0 HZ2 LYS A 49 5.106 27.248 4.119 1.00 72.04 H new ATOM 0 HZ3 LYS A 49 6.490 27.920 4.838 1.00 72.04 H new ATOM 799 N VAL A 50 4.421 20.781 2.815 1.00 52.24 N ATOM 800 CA VAL A 50 3.028 20.532 2.462 1.00 21.13 C ATOM 801 C VAL A 50 2.183 20.282 3.706 1.00 31.22 C ATOM 802 O VAL A 50 2.651 19.693 4.681 1.00 61.33 O ATOM 803 CB VAL A 50 2.896 19.325 1.514 1.00 3.14 C ATOM 804 CG1 VAL A 50 3.294 18.041 2.226 1.00 20.10 C ATOM 805 CG2 VAL A 50 1.479 19.227 0.972 1.00 74.42 C ATOM 0 H VAL A 50 4.761 20.232 3.605 1.00 52.24 H new ATOM 0 HA VAL A 50 2.666 21.425 1.953 1.00 21.13 H new ATOM 0 HB VAL A 50 3.573 19.470 0.672 1.00 3.14 H new ATOM 0 HG11 VAL A 50 3.194 17.199 1.541 1.00 20.10 H new ATOM 0 HG12 VAL A 50 4.329 18.116 2.561 1.00 20.10 H new ATOM 0 HG13 VAL A 50 2.644 17.886 3.088 1.00 20.10 H new ATOM 0 HG21 VAL A 50 1.403 18.369 0.304 1.00 74.42 H new ATOM 0 HG22 VAL A 50 0.780 19.105 1.800 1.00 74.42 H new ATOM 0 HG23 VAL A 50 1.236 20.137 0.423 1.00 74.42 H new ATOM 815 N LYS A 51 0.934 20.733 3.667 1.00 51.25 N ATOM 816 CA LYS A 51 0.020 20.558 4.789 1.00 24.33 C ATOM 817 C LYS A 51 0.621 21.123 6.073 1.00 72.43 C ATOM 818 O LYS A 51 0.362 20.619 7.165 1.00 55.21 O ATOM 819 CB LYS A 51 -0.310 19.075 4.978 1.00 40.33 C ATOM 820 CG LYS A 51 -0.925 18.428 3.749 1.00 53.30 C ATOM 821 CD LYS A 51 -2.383 18.067 3.980 1.00 60.11 C ATOM 822 CE LYS A 51 -2.519 16.761 4.748 1.00 5.33 C ATOM 823 NZ LYS A 51 -3.149 16.965 6.082 1.00 51.51 N ATOM 0 H LYS A 51 0.531 21.223 2.869 1.00 51.25 H new ATOM 0 HA LYS A 51 -0.897 21.103 4.567 1.00 24.33 H new ATOM 0 HB2 LYS A 51 0.602 18.539 5.243 1.00 40.33 H new ATOM 0 HB3 LYS A 51 -0.997 18.968 5.817 1.00 40.33 H new ATOM 0 HG2 LYS A 51 -0.848 19.109 2.901 1.00 53.30 H new ATOM 0 HG3 LYS A 51 -0.364 17.530 3.490 1.00 53.30 H new ATOM 0 HD2 LYS A 51 -2.874 18.868 4.532 1.00 60.11 H new ATOM 0 HD3 LYS A 51 -2.894 17.981 3.021 1.00 60.11 H new ATOM 0 HE2 LYS A 51 -3.117 16.059 4.167 1.00 5.33 H new ATOM 0 HE3 LYS A 51 -1.535 16.311 4.876 1.00 5.33 H new ATOM 0 HZ1 LYS A 51 -3.224 16.052 6.574 1.00 51.51 H new ATOM 0 HZ2 LYS A 51 -2.565 17.615 6.646 1.00 51.51 H new ATOM 0 HZ3 LYS A 51 -4.099 17.371 5.959 1.00 51.51 H new ATOM 837 N GLY A 52 1.424 22.173 5.933 1.00 52.22 N ATOM 838 CA GLY A 52 2.047 22.790 7.089 1.00 30.34 C ATOM 839 C GLY A 52 3.310 22.071 7.520 1.00 61.44 C ATOM 840 O GLY A 52 4.067 22.572 8.351 1.00 41.51 O ATOM 0 H GLY A 52 1.654 22.607 5.039 1.00 52.22 H new ATOM 0 HA2 GLY A 52 2.284 23.829 6.859 1.00 30.34 H new ATOM 0 HA3 GLY A 52 1.338 22.801 7.917 1.00 30.34 H new ATOM 844 N LYS A 53 3.539 20.890 6.954 1.00 12.22 N ATOM 845 CA LYS A 53 4.719 20.099 7.283 1.00 15.25 C ATOM 846 C LYS A 53 5.935 20.586 6.503 1.00 3.20 C ATOM 847 O LYS A 53 5.823 21.112 5.396 1.00 53.05 O ATOM 848 CB LYS A 53 4.466 18.620 6.984 1.00 31.21 C ATOM 849 CG LYS A 53 3.469 17.970 7.928 1.00 62.21 C ATOM 850 CD LYS A 53 4.000 17.918 9.351 1.00 64.04 C ATOM 851 CE LYS A 53 3.009 18.514 10.338 1.00 52.21 C ATOM 852 NZ LYS A 53 3.668 18.917 11.611 1.00 32.11 N ATOM 0 H LYS A 53 2.922 20.460 6.265 1.00 12.22 H new ATOM 0 HA LYS A 53 4.921 20.219 8.347 1.00 15.25 H new ATOM 0 HB2 LYS A 53 4.102 18.522 5.961 1.00 31.21 H new ATOM 0 HB3 LYS A 53 5.411 18.080 7.039 1.00 31.21 H new ATOM 0 HG2 LYS A 53 2.532 18.527 7.909 1.00 62.21 H new ATOM 0 HG3 LYS A 53 3.247 16.960 7.585 1.00 62.21 H new ATOM 0 HD2 LYS A 53 4.210 16.884 9.624 1.00 64.04 H new ATOM 0 HD3 LYS A 53 4.943 18.461 9.408 1.00 64.04 H new ATOM 0 HE2 LYS A 53 2.526 19.382 9.889 1.00 52.21 H new ATOM 0 HE3 LYS A 53 2.225 17.787 10.549 1.00 52.21 H new ATOM 0 HZ1 LYS A 53 2.959 19.319 12.257 1.00 32.11 H new ATOM 0 HZ2 LYS A 53 4.107 18.084 12.053 1.00 32.11 H new ATOM 0 HZ3 LYS A 53 4.399 19.630 11.413 1.00 32.11 H new ATOM 866 N PRO A 54 7.127 20.407 7.091 1.00 23.13 N ATOM 867 CA PRO A 54 8.388 20.819 6.467 1.00 10.54 C ATOM 868 C PRO A 54 8.745 19.960 5.259 1.00 2.51 C ATOM 869 O PRO A 54 9.348 20.442 4.300 1.00 21.43 O ATOM 870 CB PRO A 54 9.417 20.626 7.584 1.00 34.52 C ATOM 871 CG PRO A 54 8.825 19.582 8.467 1.00 32.13 C ATOM 872 CD PRO A 54 7.336 19.787 8.411 1.00 42.04 C ATOM 0 HA PRO A 54 8.340 21.839 6.086 1.00 10.54 H new ATOM 0 HB2 PRO A 54 10.380 20.307 7.185 1.00 34.52 H new ATOM 0 HB3 PRO A 54 9.589 21.554 8.129 1.00 34.52 H new ATOM 0 HG2 PRO A 54 9.094 18.583 8.125 1.00 32.13 H new ATOM 0 HG3 PRO A 54 9.194 19.679 9.488 1.00 32.13 H new ATOM 0 HD2 PRO A 54 6.797 18.844 8.502 1.00 42.04 H new ATOM 0 HD3 PRO A 54 6.988 20.432 9.218 1.00 42.04 H new ATOM 880 N ALA A 55 8.369 18.687 5.312 1.00 12.02 N ATOM 881 CA ALA A 55 8.647 17.762 4.221 1.00 65.02 C ATOM 882 C ALA A 55 10.000 18.058 3.582 1.00 1.10 C ATOM 883 O ALA A 55 10.129 18.071 2.358 1.00 13.33 O ATOM 884 CB ALA A 55 7.543 17.829 3.177 1.00 54.22 C ATOM 0 H ALA A 55 7.871 18.272 6.100 1.00 12.02 H new ATOM 0 HA ALA A 55 8.681 16.753 4.633 1.00 65.02 H new ATOM 0 HB1 ALA A 55 7.764 17.133 2.368 1.00 54.22 H new ATOM 0 HB2 ALA A 55 6.591 17.561 3.636 1.00 54.22 H new ATOM 0 HB3 ALA A 55 7.481 18.841 2.777 1.00 54.22 H new ATOM 890 N GLU A 56 11.005 18.296 4.419 1.00 63.11 N ATOM 891 CA GLU A 56 12.348 18.593 3.934 1.00 50.50 C ATOM 892 C GLU A 56 12.890 17.442 3.092 1.00 22.13 C ATOM 893 O GLU A 56 12.862 17.491 1.863 1.00 23.34 O ATOM 894 CB GLU A 56 13.289 18.868 5.109 1.00 42.44 C ATOM 895 CG GLU A 56 14.735 19.080 4.693 1.00 3.22 C ATOM 896 CD GLU A 56 15.237 20.474 5.018 1.00 64.24 C ATOM 897 OE1 GLU A 56 14.667 21.448 4.484 1.00 41.33 O ATOM 898 OE2 GLU A 56 16.200 20.590 5.804 1.00 11.03 O ATOM 0 H GLU A 56 10.915 18.289 5.435 1.00 63.11 H new ATOM 0 HA GLU A 56 12.292 19.483 3.307 1.00 50.50 H new ATOM 0 HB2 GLU A 56 12.940 19.751 5.644 1.00 42.44 H new ATOM 0 HB3 GLU A 56 13.239 18.032 5.807 1.00 42.44 H new ATOM 0 HG2 GLU A 56 15.365 18.345 5.194 1.00 3.22 H new ATOM 0 HG3 GLU A 56 14.831 18.904 3.622 1.00 3.22 H new ATOM 905 N ASN A 57 13.384 16.407 3.764 1.00 33.23 N ATOM 906 CA ASN A 57 13.934 15.243 3.079 1.00 33.21 C ATOM 907 C ASN A 57 13.851 14.002 3.963 1.00 72.22 C ATOM 908 O ASN A 57 13.559 12.905 3.485 1.00 11.41 O ATOM 909 CB ASN A 57 15.388 15.501 2.678 1.00 34.12 C ATOM 910 CG ASN A 57 16.102 16.416 3.653 1.00 4.23 C ATOM 911 OD1 ASN A 57 16.061 16.204 4.865 1.00 11.33 O ATOM 912 ND2 ASN A 57 16.763 17.441 3.127 1.00 51.10 N ATOM 0 H ASN A 57 13.415 16.351 4.782 1.00 33.23 H new ATOM 0 HA ASN A 57 13.342 15.068 2.181 1.00 33.21 H new ATOM 0 HB2 ASN A 57 15.920 14.551 2.619 1.00 34.12 H new ATOM 0 HB3 ASN A 57 15.414 15.944 1.682 1.00 34.12 H new ATOM 0 HD21 ASN A 57 17.263 18.091 3.734 1.00 51.10 H new ATOM 0 HD22 ASN A 57 16.770 17.579 2.116 1.00 51.10 H new ATOM 919 N ASP A 58 14.109 14.183 5.253 1.00 11.12 N ATOM 920 CA ASP A 58 14.062 13.079 6.205 1.00 70.02 C ATOM 921 C ASP A 58 12.650 12.509 6.307 1.00 5.41 C ATOM 922 O ASP A 58 12.436 11.458 6.910 1.00 23.30 O ATOM 923 CB ASP A 58 14.539 13.544 7.582 1.00 72.33 C ATOM 924 CG ASP A 58 16.051 13.575 7.691 1.00 74.41 C ATOM 925 OD1 ASP A 58 16.670 14.486 7.103 1.00 13.52 O ATOM 926 OD2 ASP A 58 16.615 12.688 8.365 1.00 74.44 O ATOM 0 H ASP A 58 14.353 15.084 5.664 1.00 11.12 H new ATOM 0 HA ASP A 58 14.726 12.293 5.846 1.00 70.02 H new ATOM 0 HB2 ASP A 58 14.143 14.539 7.784 1.00 72.33 H new ATOM 0 HB3 ASP A 58 14.136 12.880 8.346 1.00 72.33 H new ATOM 931 N VAL A 59 11.690 13.212 5.715 1.00 71.24 N ATOM 932 CA VAL A 59 10.299 12.777 5.739 1.00 74.51 C ATOM 933 C VAL A 59 10.047 11.683 4.707 1.00 21.42 C ATOM 934 O VAL A 59 10.649 11.676 3.633 1.00 21.02 O ATOM 935 CB VAL A 59 9.338 13.951 5.471 1.00 64.44 C ATOM 936 CG1 VAL A 59 7.900 13.536 5.739 1.00 73.24 C ATOM 937 CG2 VAL A 59 9.721 15.155 6.317 1.00 41.30 C ATOM 0 H VAL A 59 11.850 14.085 5.213 1.00 71.24 H new ATOM 0 HA VAL A 59 10.109 12.382 6.737 1.00 74.51 H new ATOM 0 HB VAL A 59 9.419 14.233 4.421 1.00 64.44 H new ATOM 0 HG11 VAL A 59 7.236 14.378 5.544 1.00 73.24 H new ATOM 0 HG12 VAL A 59 7.633 12.705 5.086 1.00 73.24 H new ATOM 0 HG13 VAL A 59 7.798 13.227 6.779 1.00 73.24 H new ATOM 0 HG21 VAL A 59 9.032 15.975 6.115 1.00 41.30 H new ATOM 0 HG22 VAL A 59 9.670 14.889 7.373 1.00 41.30 H new ATOM 0 HG23 VAL A 59 10.736 15.465 6.070 1.00 41.30 H new ATOM 947 N LYS A 60 9.153 10.758 5.040 1.00 72.13 N ATOM 948 CA LYS A 60 8.818 9.658 4.142 1.00 4.52 C ATOM 949 C LYS A 60 7.612 10.010 3.277 1.00 23.11 C ATOM 950 O LYS A 60 6.759 10.803 3.677 1.00 74.12 O ATOM 951 CB LYS A 60 8.531 8.387 4.945 1.00 40.45 C ATOM 952 CG LYS A 60 9.732 7.873 5.720 1.00 55.10 C ATOM 953 CD LYS A 60 9.592 6.396 6.049 1.00 50.22 C ATOM 954 CE LYS A 60 9.799 6.134 7.533 1.00 61.55 C ATOM 955 NZ LYS A 60 9.033 4.944 7.997 1.00 24.14 N ATOM 0 H LYS A 60 8.647 10.748 5.926 1.00 72.13 H new ATOM 0 HA LYS A 60 9.672 9.482 3.488 1.00 4.52 H new ATOM 0 HB2 LYS A 60 7.716 8.584 5.642 1.00 40.45 H new ATOM 0 HB3 LYS A 60 8.187 7.608 4.265 1.00 40.45 H new ATOM 0 HG2 LYS A 60 10.638 8.032 5.136 1.00 55.10 H new ATOM 0 HG3 LYS A 60 9.842 8.443 6.642 1.00 55.10 H new ATOM 0 HD2 LYS A 60 8.603 6.048 5.751 1.00 50.22 H new ATOM 0 HD3 LYS A 60 10.318 5.823 5.472 1.00 50.22 H new ATOM 0 HE2 LYS A 60 10.860 5.983 7.731 1.00 61.55 H new ATOM 0 HE3 LYS A 60 9.490 7.010 8.103 1.00 61.55 H new ATOM 0 HZ1 LYS A 60 9.200 4.798 9.013 1.00 24.14 H new ATOM 0 HZ2 LYS A 60 8.018 5.098 7.832 1.00 24.14 H new ATOM 0 HZ3 LYS A 60 9.346 4.103 7.471 1.00 24.14 H new ATOM 969 N LEU A 61 7.547 9.414 2.091 1.00 11.54 N ATOM 970 CA LEU A 61 6.444 9.663 1.170 1.00 13.50 C ATOM 971 C LEU A 61 5.100 9.506 1.874 1.00 11.13 C ATOM 972 O LEU A 61 4.213 10.347 1.736 1.00 74.02 O ATOM 973 CB LEU A 61 6.523 8.708 -0.022 1.00 31.44 C ATOM 974 CG LEU A 61 7.896 8.569 -0.680 1.00 73.54 C ATOM 975 CD1 LEU A 61 7.825 7.621 -1.868 1.00 35.34 C ATOM 976 CD2 LEU A 61 8.420 9.930 -1.113 1.00 71.03 C ATOM 0 H LEU A 61 8.245 8.755 1.745 1.00 11.54 H new ATOM 0 HA LEU A 61 6.528 10.689 0.812 1.00 13.50 H new ATOM 0 HB2 LEU A 61 6.198 7.721 0.307 1.00 31.44 H new ATOM 0 HB3 LEU A 61 5.812 9.042 -0.778 1.00 31.44 H new ATOM 0 HG LEU A 61 8.588 8.151 0.052 1.00 73.54 H new ATOM 0 HD11 LEU A 61 8.811 7.534 -2.324 1.00 35.34 H new ATOM 0 HD12 LEU A 61 7.494 6.639 -1.531 1.00 35.34 H new ATOM 0 HD13 LEU A 61 7.119 8.010 -2.602 1.00 35.34 H new ATOM 0 HD21 LEU A 61 9.398 9.812 -1.579 1.00 71.03 H new ATOM 0 HD22 LEU A 61 7.729 10.375 -1.828 1.00 71.03 H new ATOM 0 HD23 LEU A 61 8.509 10.579 -0.242 1.00 71.03 H new ATOM 988 N GLY A 62 4.958 8.423 2.633 1.00 70.04 N ATOM 989 CA GLY A 62 3.720 8.176 3.349 1.00 5.12 C ATOM 990 C GLY A 62 3.592 9.030 4.595 1.00 55.22 C ATOM 991 O GLY A 62 2.519 9.109 5.194 1.00 63.45 O ATOM 0 H GLY A 62 5.678 7.713 2.765 1.00 70.04 H new ATOM 0 HA2 GLY A 62 2.876 8.374 2.688 1.00 5.12 H new ATOM 0 HA3 GLY A 62 3.668 7.123 3.627 1.00 5.12 H new ATOM 995 N ALA A 63 4.688 9.671 4.987 1.00 31.22 N ATOM 996 CA ALA A 63 4.693 10.523 6.169 1.00 14.45 C ATOM 997 C ALA A 63 4.117 11.900 5.856 1.00 52.12 C ATOM 998 O ALA A 63 3.483 12.528 6.705 1.00 23.25 O ATOM 999 CB ALA A 63 6.105 10.653 6.721 1.00 34.12 C ATOM 0 H ALA A 63 5.584 9.616 4.503 1.00 31.22 H new ATOM 0 HA ALA A 63 4.061 10.056 6.925 1.00 14.45 H new ATOM 0 HB1 ALA A 63 6.093 11.292 7.604 1.00 34.12 H new ATOM 0 HB2 ALA A 63 6.482 9.667 6.992 1.00 34.12 H new ATOM 0 HB3 ALA A 63 6.753 11.093 5.963 1.00 34.12 H new ATOM 1005 N LEU A 64 4.341 12.365 4.632 1.00 41.02 N ATOM 1006 CA LEU A 64 3.845 13.669 4.206 1.00 73.03 C ATOM 1007 C LEU A 64 2.340 13.626 3.962 1.00 73.42 C ATOM 1008 O LEU A 64 1.657 14.647 4.041 1.00 10.22 O ATOM 1009 CB LEU A 64 4.566 14.121 2.935 1.00 61.23 C ATOM 1010 CG LEU A 64 6.021 13.672 2.793 1.00 71.20 C ATOM 1011 CD1 LEU A 64 6.264 13.077 1.415 1.00 71.14 C ATOM 1012 CD2 LEU A 64 6.966 14.837 3.047 1.00 11.12 C ATOM 0 H LEU A 64 4.863 11.858 3.917 1.00 41.02 H new ATOM 0 HA LEU A 64 4.045 14.384 5.004 1.00 73.03 H new ATOM 0 HB2 LEU A 64 4.008 13.753 2.074 1.00 61.23 H new ATOM 0 HB3 LEU A 64 4.537 15.210 2.892 1.00 61.23 H new ATOM 0 HG LEU A 64 6.218 12.902 3.539 1.00 71.20 H new ATOM 0 HD11 LEU A 64 7.305 12.763 1.333 1.00 71.14 H new ATOM 0 HD12 LEU A 64 5.613 12.215 1.271 1.00 71.14 H new ATOM 0 HD13 LEU A 64 6.049 13.826 0.652 1.00 71.14 H new ATOM 0 HD21 LEU A 64 7.997 14.499 2.942 1.00 11.12 H new ATOM 0 HD22 LEU A 64 6.769 15.630 2.325 1.00 11.12 H new ATOM 0 HD23 LEU A 64 6.811 15.218 4.056 1.00 11.12 H new ATOM 1024 N LYS A 65 1.827 12.436 3.667 1.00 65.35 N ATOM 1025 CA LYS A 65 0.403 12.257 3.414 1.00 34.23 C ATOM 1026 C LYS A 65 -0.036 13.046 2.185 1.00 42.11 C ATOM 1027 O LYS A 65 -1.131 13.610 2.154 1.00 24.32 O ATOM 1028 CB LYS A 65 -0.411 12.697 4.633 1.00 13.32 C ATOM 1029 CG LYS A 65 0.113 12.144 5.947 1.00 73.41 C ATOM 1030 CD LYS A 65 -0.066 10.637 6.028 1.00 34.10 C ATOM 1031 CE LYS A 65 0.463 10.083 7.342 1.00 73.41 C ATOM 1032 NZ LYS A 65 0.196 8.624 7.476 1.00 35.22 N ATOM 0 H LYS A 65 2.378 11.580 3.597 1.00 65.35 H new ATOM 0 HA LYS A 65 0.223 11.198 3.227 1.00 34.23 H new ATOM 0 HB2 LYS A 65 -0.415 13.786 4.683 1.00 13.32 H new ATOM 0 HB3 LYS A 65 -1.446 12.380 4.502 1.00 13.32 H new ATOM 0 HG2 LYS A 65 1.169 12.392 6.052 1.00 73.41 H new ATOM 0 HG3 LYS A 65 -0.410 12.619 6.777 1.00 73.41 H new ATOM 0 HD2 LYS A 65 -1.123 10.389 5.926 1.00 34.10 H new ATOM 0 HD3 LYS A 65 0.454 10.162 5.196 1.00 34.10 H new ATOM 0 HE2 LYS A 65 1.536 10.263 7.406 1.00 73.41 H new ATOM 0 HE3 LYS A 65 -0.000 10.615 8.173 1.00 73.41 H new ATOM 0 HZ1 LYS A 65 0.572 8.284 8.384 1.00 35.22 H new ATOM 0 HZ2 LYS A 65 -0.829 8.454 7.440 1.00 35.22 H new ATOM 0 HZ3 LYS A 65 0.659 8.113 6.697 1.00 35.22 H new ATOM 1046 N LEU A 66 0.824 13.082 1.173 1.00 61.41 N ATOM 1047 CA LEU A 66 0.525 13.801 -0.061 1.00 33.25 C ATOM 1048 C LEU A 66 -0.160 12.886 -1.072 1.00 4.44 C ATOM 1049 O LEU A 66 0.016 11.668 -1.042 1.00 14.13 O ATOM 1050 CB LEU A 66 1.808 14.376 -0.663 1.00 13.23 C ATOM 1051 CG LEU A 66 2.017 15.881 -0.485 1.00 33.50 C ATOM 1052 CD1 LEU A 66 3.379 16.297 -1.016 1.00 65.44 C ATOM 1053 CD2 LEU A 66 0.910 16.659 -1.182 1.00 21.31 C ATOM 0 H LEU A 66 1.734 12.622 1.183 1.00 61.41 H new ATOM 0 HA LEU A 66 -0.154 14.619 0.179 1.00 33.25 H new ATOM 0 HB2 LEU A 66 2.658 13.857 -0.220 1.00 13.23 H new ATOM 0 HB3 LEU A 66 1.818 14.152 -1.730 1.00 13.23 H new ATOM 0 HG LEU A 66 1.980 16.110 0.580 1.00 33.50 H new ATOM 0 HD11 LEU A 66 3.510 17.371 -0.881 1.00 65.44 H new ATOM 0 HD12 LEU A 66 4.160 15.765 -0.472 1.00 65.44 H new ATOM 0 HD13 LEU A 66 3.446 16.054 -2.076 1.00 65.44 H new ATOM 0 HD21 LEU A 66 1.075 17.728 -1.045 1.00 21.31 H new ATOM 0 HD22 LEU A 66 0.915 16.425 -2.246 1.00 21.31 H new ATOM 0 HD23 LEU A 66 -0.054 16.383 -0.754 1.00 21.31 H new ATOM 1065 N LYS A 67 -0.939 13.482 -1.968 1.00 4.40 N ATOM 1066 CA LYS A 67 -1.647 12.723 -2.992 1.00 12.44 C ATOM 1067 C LYS A 67 -0.671 12.125 -3.999 1.00 25.53 C ATOM 1068 O LYS A 67 0.471 12.566 -4.130 1.00 63.22 O ATOM 1069 CB LYS A 67 -2.655 13.620 -3.714 1.00 74.10 C ATOM 1070 CG LYS A 67 -4.097 13.362 -3.311 1.00 61.31 C ATOM 1071 CD LYS A 67 -4.858 14.660 -3.101 1.00 32.22 C ATOM 1072 CE LYS A 67 -6.332 14.403 -2.827 1.00 53.45 C ATOM 1073 NZ LYS A 67 -6.884 15.356 -1.825 1.00 33.14 N ATOM 0 H LYS A 67 -1.096 14.489 -2.006 1.00 4.40 H new ATOM 0 HA LYS A 67 -2.180 11.908 -2.502 1.00 12.44 H new ATOM 0 HB2 LYS A 67 -2.411 14.663 -3.511 1.00 74.10 H new ATOM 0 HB3 LYS A 67 -2.555 13.472 -4.789 1.00 74.10 H new ATOM 0 HG2 LYS A 67 -4.591 12.770 -4.082 1.00 61.31 H new ATOM 0 HG3 LYS A 67 -4.120 12.773 -2.394 1.00 61.31 H new ATOM 0 HD2 LYS A 67 -4.422 15.208 -2.266 1.00 32.22 H new ATOM 0 HD3 LYS A 67 -4.755 15.290 -3.984 1.00 32.22 H new ATOM 0 HE2 LYS A 67 -6.894 14.488 -3.757 1.00 53.45 H new ATOM 0 HE3 LYS A 67 -6.462 13.382 -2.467 1.00 53.45 H new ATOM 0 HZ1 LYS A 67 -7.890 15.148 -1.666 1.00 33.14 H new ATOM 0 HZ2 LYS A 67 -6.364 15.258 -0.930 1.00 33.14 H new ATOM 0 HZ3 LYS A 67 -6.783 16.329 -2.179 1.00 33.14 H new ATOM 1087 N PRO A 68 -1.128 11.096 -4.728 1.00 41.24 N ATOM 1088 CA PRO A 68 -0.311 10.417 -5.738 1.00 23.51 C ATOM 1089 C PRO A 68 -0.049 11.293 -6.958 1.00 1.12 C ATOM 1090 O PRO A 68 1.026 11.239 -7.554 1.00 30.54 O ATOM 1091 CB PRO A 68 -1.160 9.203 -6.124 1.00 13.13 C ATOM 1092 CG PRO A 68 -2.561 9.609 -5.819 1.00 40.14 C ATOM 1093 CD PRO A 68 -2.478 10.518 -4.624 1.00 53.25 C ATOM 0 HA PRO A 68 0.677 10.160 -5.356 1.00 23.51 H new ATOM 0 HB2 PRO A 68 -1.040 8.955 -7.179 1.00 13.13 H new ATOM 0 HB3 PRO A 68 -0.871 8.320 -5.554 1.00 13.13 H new ATOM 0 HG2 PRO A 68 -3.012 10.121 -6.668 1.00 40.14 H new ATOM 0 HG3 PRO A 68 -3.182 8.739 -5.605 1.00 40.14 H new ATOM 0 HD2 PRO A 68 -3.248 11.289 -4.651 1.00 53.25 H new ATOM 0 HD3 PRO A 68 -2.609 9.969 -3.692 1.00 53.25 H new ATOM 1101 N ASN A 69 -1.039 12.101 -7.324 1.00 2.13 N ATOM 1102 CA ASN A 69 -0.915 12.990 -8.473 1.00 63.34 C ATOM 1103 C ASN A 69 -0.102 14.231 -8.117 1.00 21.53 C ATOM 1104 O ASN A 69 0.370 14.952 -8.996 1.00 63.33 O ATOM 1105 CB ASN A 69 -2.299 13.401 -8.978 1.00 73.12 C ATOM 1106 CG ASN A 69 -3.266 12.233 -9.031 1.00 2.51 C ATOM 1107 OD1 ASN A 69 -2.860 11.085 -9.210 1.00 11.02 O ATOM 1108 ND2 ASN A 69 -4.552 12.523 -8.875 1.00 53.20 N ATOM 0 H ASN A 69 -1.936 12.158 -6.841 1.00 2.13 H new ATOM 0 HA ASN A 69 -0.393 12.450 -9.263 1.00 63.34 H new ATOM 0 HB2 ASN A 69 -2.705 14.176 -8.327 1.00 73.12 H new ATOM 0 HB3 ASN A 69 -2.205 13.837 -9.973 1.00 73.12 H new ATOM 0 HD21 ASN A 69 -5.249 11.779 -8.901 1.00 53.20 H new ATOM 0 HD22 ASN A 69 -4.843 13.490 -8.729 1.00 53.20 H new ATOM 1115 N THR A 70 0.058 14.474 -6.820 1.00 24.35 N ATOM 1116 CA THR A 70 0.813 15.627 -6.346 1.00 22.24 C ATOM 1117 C THR A 70 1.949 15.971 -7.302 1.00 42.10 C ATOM 1118 O THR A 70 2.776 15.121 -7.633 1.00 74.40 O ATOM 1119 CB THR A 70 1.397 15.378 -4.942 1.00 13.11 C ATOM 1120 OG1 THR A 70 0.337 15.248 -3.987 1.00 65.42 O ATOM 1121 CG2 THR A 70 2.320 16.515 -4.530 1.00 60.25 C ATOM 0 H THR A 70 -0.325 13.887 -6.079 1.00 24.35 H new ATOM 0 HA THR A 70 0.116 16.463 -6.298 1.00 22.24 H new ATOM 0 HB THR A 70 1.975 14.454 -4.972 1.00 13.11 H new ATOM 0 HG1 THR A 70 0.300 14.324 -3.663 1.00 65.42 H new ATOM 0 HG21 THR A 70 2.720 16.317 -3.536 1.00 60.25 H new ATOM 0 HG22 THR A 70 3.141 16.593 -5.242 1.00 60.25 H new ATOM 0 HG23 THR A 70 1.761 17.451 -4.516 1.00 60.25 H new ATOM 1129 N LYS A 71 1.986 17.224 -7.743 1.00 73.12 N ATOM 1130 CA LYS A 71 3.022 17.683 -8.661 1.00 30.43 C ATOM 1131 C LYS A 71 4.158 18.361 -7.903 1.00 3.54 C ATOM 1132 O LYS A 71 3.937 18.994 -6.870 1.00 34.04 O ATOM 1133 CB LYS A 71 2.430 18.650 -9.688 1.00 44.41 C ATOM 1134 CG LYS A 71 1.118 18.174 -10.287 1.00 2.41 C ATOM 1135 CD LYS A 71 -0.059 18.978 -9.760 1.00 50.04 C ATOM 1136 CE LYS A 71 -0.620 19.908 -10.825 1.00 43.13 C ATOM 1137 NZ LYS A 71 -0.844 21.283 -10.299 1.00 21.13 N ATOM 0 H LYS A 71 1.310 17.940 -7.479 1.00 73.12 H new ATOM 0 HA LYS A 71 3.424 16.813 -9.181 1.00 30.43 H new ATOM 0 HB2 LYS A 71 2.273 19.619 -9.214 1.00 44.41 H new ATOM 0 HB3 LYS A 71 3.152 18.801 -10.490 1.00 44.41 H new ATOM 0 HG2 LYS A 71 1.161 18.259 -11.373 1.00 2.41 H new ATOM 0 HG3 LYS A 71 0.972 17.119 -10.055 1.00 2.41 H new ATOM 0 HD2 LYS A 71 -0.841 18.300 -9.419 1.00 50.04 H new ATOM 0 HD3 LYS A 71 0.256 19.562 -8.895 1.00 50.04 H new ATOM 0 HE2 LYS A 71 0.068 19.950 -11.669 1.00 43.13 H new ATOM 0 HE3 LYS A 71 -1.561 19.505 -11.200 1.00 43.13 H new ATOM 0 HZ1 LYS A 71 -1.227 21.886 -11.055 1.00 21.13 H new ATOM 0 HZ2 LYS A 71 -1.520 21.247 -9.510 1.00 21.13 H new ATOM 0 HZ3 LYS A 71 0.058 21.678 -9.964 1.00 21.13 H new ATOM 1151 N ILE A 72 5.374 18.227 -8.423 1.00 14.13 N ATOM 1152 CA ILE A 72 6.543 18.830 -7.796 1.00 22.03 C ATOM 1153 C ILE A 72 7.191 19.860 -8.715 1.00 75.34 C ATOM 1154 O ILE A 72 7.477 19.575 -9.878 1.00 4.03 O ATOM 1155 CB ILE A 72 7.590 17.766 -7.417 1.00 64.13 C ATOM 1156 CG1 ILE A 72 6.947 16.662 -6.575 1.00 53.25 C ATOM 1157 CG2 ILE A 72 8.748 18.406 -6.666 1.00 30.13 C ATOM 1158 CD1 ILE A 72 6.277 17.173 -5.319 1.00 53.33 C ATOM 0 H ILE A 72 5.575 17.706 -9.277 1.00 14.13 H new ATOM 0 HA ILE A 72 6.194 19.325 -6.889 1.00 22.03 H new ATOM 0 HB ILE A 72 7.979 17.319 -8.332 1.00 64.13 H new ATOM 0 HG12 ILE A 72 6.210 16.136 -7.182 1.00 53.25 H new ATOM 0 HG13 ILE A 72 7.711 15.935 -6.300 1.00 53.25 H new ATOM 0 HG21 ILE A 72 9.479 17.641 -6.405 1.00 30.13 H new ATOM 0 HG22 ILE A 72 9.220 19.159 -7.298 1.00 30.13 H new ATOM 0 HG23 ILE A 72 8.376 18.877 -5.756 1.00 30.13 H new ATOM 0 HD11 ILE A 72 5.843 16.336 -4.772 1.00 53.33 H new ATOM 0 HD12 ILE A 72 7.014 17.674 -4.691 1.00 53.33 H new ATOM 0 HD13 ILE A 72 5.490 17.878 -5.587 1.00 53.33 H new ATOM 1170 N MET A 73 7.419 21.057 -8.186 1.00 24.02 N ATOM 1171 CA MET A 73 8.036 22.129 -8.959 1.00 23.23 C ATOM 1172 C MET A 73 9.526 22.235 -8.648 1.00 12.21 C ATOM 1173 O MET A 73 9.944 22.069 -7.502 1.00 74.34 O ATOM 1174 CB MET A 73 7.345 23.462 -8.664 1.00 64.43 C ATOM 1175 CG MET A 73 5.924 23.540 -9.198 1.00 1.35 C ATOM 1176 SD MET A 73 4.986 24.900 -8.476 1.00 12.41 S ATOM 1177 CE MET A 73 4.487 25.787 -9.950 1.00 0.20 C ATOM 0 H MET A 73 7.186 21.310 -7.226 1.00 24.02 H new ATOM 0 HA MET A 73 7.920 21.894 -10.017 1.00 23.23 H new ATOM 0 HB2 MET A 73 7.329 23.623 -7.586 1.00 64.43 H new ATOM 0 HB3 MET A 73 7.933 24.271 -9.098 1.00 64.43 H new ATOM 0 HG2 MET A 73 5.953 23.658 -10.281 1.00 1.35 H new ATOM 0 HG3 MET A 73 5.411 22.600 -8.993 1.00 1.35 H new ATOM 0 HE1 MET A 73 4.168 26.793 -9.679 1.00 0.20 H new ATOM 0 HE2 MET A 73 5.328 25.847 -10.641 1.00 0.20 H new ATOM 0 HE3 MET A 73 3.661 25.262 -10.429 1.00 0.20 H new ATOM 1187 N MET A 74 10.322 22.513 -9.675 1.00 52.23 N ATOM 1188 CA MET A 74 11.765 22.643 -9.510 1.00 71.53 C ATOM 1189 C MET A 74 12.296 23.840 -10.292 1.00 64.31 C ATOM 1190 O MET A 74 12.208 23.880 -11.519 1.00 11.22 O ATOM 1191 CB MET A 74 12.469 21.365 -9.971 1.00 31.32 C ATOM 1192 CG MET A 74 11.907 20.101 -9.340 1.00 63.44 C ATOM 1193 SD MET A 74 12.308 18.617 -10.284 1.00 10.04 S ATOM 1194 CE MET A 74 12.900 17.538 -8.982 1.00 43.23 C ATOM 0 H MET A 74 9.992 22.653 -10.630 1.00 52.23 H new ATOM 0 HA MET A 74 11.972 22.802 -8.452 1.00 71.53 H new ATOM 0 HB2 MET A 74 12.389 21.287 -11.055 1.00 31.32 H new ATOM 0 HB3 MET A 74 13.530 21.439 -9.734 1.00 31.32 H new ATOM 0 HG2 MET A 74 12.298 20.000 -8.328 1.00 63.44 H new ATOM 0 HG3 MET A 74 10.824 20.192 -9.256 1.00 63.44 H new ATOM 0 HE1 MET A 74 13.303 16.625 -9.421 1.00 43.23 H new ATOM 0 HE2 MET A 74 13.682 18.045 -8.417 1.00 43.23 H new ATOM 0 HE3 MET A 74 12.076 17.287 -8.315 1.00 43.23 H new ATOM 1204 N MET A 75 12.848 24.812 -9.574 1.00 11.33 N ATOM 1205 CA MET A 75 13.394 26.010 -10.201 1.00 62.15 C ATOM 1206 C MET A 75 14.919 25.996 -10.165 1.00 21.52 C ATOM 1207 O MET A 75 15.523 25.840 -9.104 1.00 74.41 O ATOM 1208 CB MET A 75 12.867 27.264 -9.502 1.00 4.14 C ATOM 1209 CG MET A 75 11.354 27.400 -9.556 1.00 23.15 C ATOM 1210 SD MET A 75 10.814 28.703 -10.678 1.00 15.31 S ATOM 1211 CE MET A 75 11.539 30.144 -9.899 1.00 23.42 C ATOM 0 H MET A 75 12.929 24.794 -8.557 1.00 11.33 H new ATOM 0 HA MET A 75 13.073 26.022 -11.243 1.00 62.15 H new ATOM 0 HB2 MET A 75 13.185 27.250 -8.460 1.00 4.14 H new ATOM 0 HB3 MET A 75 13.319 28.143 -9.961 1.00 4.14 H new ATOM 0 HG2 MET A 75 10.919 26.451 -9.871 1.00 23.15 H new ATOM 0 HG3 MET A 75 10.976 27.608 -8.555 1.00 23.15 H new ATOM 0 HE1 MET A 75 10.919 31.017 -10.100 1.00 23.42 H new ATOM 0 HE2 MET A 75 11.601 29.983 -8.823 1.00 23.42 H new ATOM 0 HE3 MET A 75 12.539 30.309 -10.299 1.00 23.42 H new ATOM 1221 N GLY A 76 15.537 26.159 -11.331 1.00 75.10 N ATOM 1222 CA GLY A 76 16.986 26.161 -11.409 1.00 74.03 C ATOM 1223 C GLY A 76 17.491 25.918 -12.818 1.00 15.13 C ATOM 1224 O GLY A 76 16.791 26.194 -13.793 1.00 71.41 O ATOM 0 H GLY A 76 15.060 26.290 -12.223 1.00 75.10 H new ATOM 0 HA2 GLY A 76 17.365 27.118 -11.051 1.00 74.03 H new ATOM 0 HA3 GLY A 76 17.384 25.392 -10.746 1.00 74.03 H new ATOM 1228 N THR A 77 18.711 25.402 -12.927 1.00 32.33 N ATOM 1229 CA THR A 77 19.310 25.125 -14.226 1.00 23.52 C ATOM 1230 C THR A 77 19.968 23.749 -14.246 1.00 13.32 C ATOM 1231 O THR A 77 20.542 23.311 -13.249 1.00 61.00 O ATOM 1232 CB THR A 77 20.360 26.188 -14.599 1.00 0.34 C ATOM 1233 OG1 THR A 77 21.019 25.821 -15.816 1.00 21.14 O ATOM 1234 CG2 THR A 77 21.387 26.348 -13.488 1.00 22.52 C ATOM 0 H THR A 77 19.304 25.167 -12.131 1.00 32.33 H new ATOM 0 HA THR A 77 18.503 25.150 -14.958 1.00 23.52 H new ATOM 0 HB THR A 77 19.847 27.140 -14.738 1.00 0.34 H new ATOM 0 HG1 THR A 77 21.684 26.503 -16.047 1.00 21.14 H new ATOM 0 HG21 THR A 77 22.118 27.104 -13.774 1.00 22.52 H new ATOM 0 HG22 THR A 77 20.886 26.657 -12.571 1.00 22.52 H new ATOM 0 HG23 THR A 77 21.894 25.398 -13.322 1.00 22.52 H new