USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=20 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 36 THR OG1 : rot -74:sc= 0.51 USER MOD Set 1.2: A 43 GLN : amide:sc= -5.24! C(o=-6.1!,f=-8.2!) USER MOD Set 1.3: A 74 MET CE :methyl 145:sc= -1.4 (180deg=-0.00106) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD Set 2.2: A 14 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -175:sc= -0.051 (180deg=-0.0914) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 74:sc= 1.27 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 29 LYS NZ :NH3+ 140:sc= -2.42 (180deg=-3.9!) USER MOD Single : A 30 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.74) USER MOD Single : A 33 LYS NZ :NH3+ -146:sc= 0.783 (180deg=-2.65!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= -0.116 (180deg=-0.199) USER MOD Single : A 49 LYS NZ :NH3+ -123:sc= -0.22 (180deg=-1.54) USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00352) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.2) USER MOD Single : A 60 LYS NZ :NH3+ -159:sc=0.000521 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 151:sc= -0.402 (180deg=-1.97!) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.04) USER MOD Single : A 69 ASN : amide:sc= 0.0348 K(o=0.035,f=-1.7) USER MOD Single : A 70 THR OG1 : rot -166:sc= -0.317 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 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 2.841 -1.618 -3.282 1.00 0.00 N ATOM 19 CA ALA A 2 3.047 -2.969 -3.789 1.00 0.00 C ATOM 20 C ALA A 2 4.490 -3.171 -4.239 1.00 0.00 C ATOM 21 O ALA A 2 4.967 -2.498 -5.153 1.00 0.00 O ATOM 22 CB ALA A 2 2.090 -3.254 -4.936 1.00 0.00 C ATOM 0 HA ALA A 2 2.844 -3.670 -2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.255 -4.266 -5.305 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.063 -3.159 -4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.265 -2.541 -5.742 1.00 0.00 H new ATOM 28 N LEU A 3 5.182 -4.102 -3.590 1.00 0.00 N ATOM 29 CA LEU A 3 6.572 -4.393 -3.924 1.00 0.00 C ATOM 30 C LEU A 3 6.660 -5.475 -4.995 1.00 0.00 C ATOM 31 O LEU A 3 6.289 -6.629 -4.778 1.00 0.00 O ATOM 32 CB LEU A 3 7.335 -4.833 -2.673 1.00 0.00 C ATOM 33 CG LEU A 3 8.039 -3.724 -1.891 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.793 -4.303 -0.704 1.00 0.00 C ATOM 35 CD2 LEU A 3 8.983 -2.948 -2.798 1.00 0.00 C ATOM 0 H LEU A 3 4.803 -4.668 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 3 7.024 -3.483 -4.317 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.636 -5.335 -2.004 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.080 -5.572 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 3 7.282 -3.036 -1.514 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.288 -3.499 -0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 3 8.093 -4.812 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.540 -5.014 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.475 -2.163 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.734 -3.625 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.417 -2.500 -3.615 1.00 0.00 H new ATOM 47 N PRO A 4 7.166 -5.097 -6.178 1.00 0.00 N ATOM 48 CA PRO A 4 7.317 -6.022 -7.306 1.00 0.00 C ATOM 49 C PRO A 4 8.407 -7.060 -7.062 1.00 0.00 C ATOM 50 O PRO A 4 9.323 -6.838 -6.269 1.00 0.00 O ATOM 51 CB PRO A 4 7.704 -5.103 -8.468 1.00 0.00 C ATOM 52 CG PRO A 4 8.337 -3.920 -7.821 1.00 0.00 C ATOM 53 CD PRO A 4 7.628 -3.739 -6.507 1.00 0.00 C ATOM 0 HA PRO A 4 6.410 -6.599 -7.485 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.395 -5.598 -9.151 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.830 -4.814 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.404 -4.082 -7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.235 -3.032 -8.445 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.296 -3.345 -5.741 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.795 -3.041 -6.593 1.00 0.00 H new ATOM 61 N ILE A 5 8.303 -8.193 -7.747 1.00 0.00 N ATOM 62 CA ILE A 5 9.281 -9.264 -7.605 1.00 0.00 C ATOM 63 C ILE A 5 9.448 -10.033 -8.912 1.00 0.00 C ATOM 64 O ILE A 5 8.469 -10.471 -9.516 1.00 0.00 O ATOM 65 CB ILE A 5 8.879 -10.250 -6.492 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.104 -9.618 -5.117 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.667 -11.545 -6.621 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.660 -10.582 -4.092 1.00 0.00 C ATOM 0 H ILE A 5 7.551 -8.393 -8.406 1.00 0.00 H new ATOM 0 HA ILE A 5 10.227 -8.793 -7.339 1.00 0.00 H new ATOM 0 HB ILE A 5 7.819 -10.481 -6.597 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.789 -8.776 -5.221 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.159 -9.217 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 5 9.372 -12.231 -5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.462 -12.001 -7.590 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.733 -11.332 -6.538 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.794 -10.065 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.966 -11.412 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.621 -10.964 -4.436 1.00 0.00 H new ATOM 80 N ILE A 6 10.695 -10.193 -9.342 1.00 0.00 N ATOM 81 CA ILE A 6 10.991 -10.911 -10.575 1.00 0.00 C ATOM 82 C ILE A 6 11.349 -12.366 -10.292 1.00 0.00 C ATOM 83 O ILE A 6 12.160 -12.658 -9.414 1.00 0.00 O ATOM 84 CB ILE A 6 12.149 -10.251 -11.347 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.739 -8.859 -11.832 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.569 -11.124 -12.520 1.00 0.00 C ATOM 87 CD1 ILE A 6 12.838 -7.827 -11.706 1.00 0.00 C ATOM 0 H ILE A 6 11.516 -9.835 -8.855 1.00 0.00 H new ATOM 0 HA ILE A 6 10.089 -10.873 -11.186 1.00 0.00 H new ATOM 0 HB ILE A 6 13.001 -10.145 -10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.430 -8.923 -12.875 1.00 0.00 H new ATOM 0 HG13 ILE A 6 10.872 -8.526 -11.262 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.388 -10.644 -13.056 1.00 0.00 H new ATOM 0 HG22 ILE A 6 12.897 -12.096 -12.151 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.724 -11.258 -13.195 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.477 -6.865 -12.068 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.132 -7.734 -10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.699 -8.138 -12.298 1.00 0.00 H new ATOM 99 N VAL A 7 10.738 -13.277 -11.044 1.00 0.00 N ATOM 100 CA VAL A 7 10.994 -14.703 -10.876 1.00 0.00 C ATOM 101 C VAL A 7 11.652 -15.293 -12.118 1.00 0.00 C ATOM 102 O VAL A 7 11.349 -14.895 -13.243 1.00 0.00 O ATOM 103 CB VAL A 7 9.694 -15.475 -10.581 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.926 -15.738 -11.867 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.001 -16.777 -9.858 1.00 0.00 C ATOM 0 H VAL A 7 10.063 -13.053 -11.775 1.00 0.00 H new ATOM 0 HA VAL A 7 11.670 -14.806 -10.027 1.00 0.00 H new ATOM 0 HB VAL A 7 9.068 -14.864 -9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.011 -16.284 -11.639 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.674 -14.789 -12.341 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.542 -16.329 -12.544 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.071 -17.310 -9.657 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.647 -17.396 -10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.505 -16.560 -8.916 1.00 0.00 H new ATOM 115 N LYS A 8 12.555 -16.245 -11.907 1.00 0.00 N ATOM 116 CA LYS A 8 13.256 -16.893 -13.008 1.00 0.00 C ATOM 117 C LYS A 8 12.999 -18.396 -13.007 1.00 0.00 C ATOM 118 O LYS A 8 13.304 -19.087 -12.035 1.00 0.00 O ATOM 119 CB LYS A 8 14.759 -16.621 -12.913 1.00 0.00 C ATOM 120 CG LYS A 8 15.424 -16.402 -14.261 1.00 0.00 C ATOM 121 CD LYS A 8 16.716 -15.613 -14.124 1.00 0.00 C ATOM 122 CE LYS A 8 16.501 -14.136 -14.418 1.00 0.00 C ATOM 123 NZ LYS A 8 16.787 -13.808 -15.842 1.00 0.00 N ATOM 0 H LYS A 8 12.818 -16.585 -10.982 1.00 0.00 H new ATOM 0 HA LYS A 8 12.876 -16.478 -13.942 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.922 -15.742 -12.290 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.241 -17.461 -12.412 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.633 -17.366 -14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.740 -15.870 -14.923 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.110 -15.731 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.464 -16.016 -14.807 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.472 -13.865 -14.182 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.144 -13.539 -13.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.712 -12.780 -15.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 17.749 -14.121 -16.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.101 -14.293 -16.455 1.00 0.00 H new ATOM 137 N TRP A 9 12.439 -18.897 -14.102 1.00 0.00 N ATOM 138 CA TRP A 9 12.143 -20.319 -14.228 1.00 0.00 C ATOM 139 C TRP A 9 12.306 -20.784 -15.671 1.00 0.00 C ATOM 140 O TRP A 9 11.654 -20.266 -16.577 1.00 0.00 O ATOM 141 CB TRP A 9 10.722 -20.610 -13.742 1.00 0.00 C ATOM 142 CG TRP A 9 10.256 -21.997 -14.066 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.087 -22.347 -14.679 1.00 0.00 C ATOM 144 CD2 TRP A 9 10.949 -23.220 -13.791 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.011 -23.714 -14.802 1.00 0.00 N ATOM 146 CE2 TRP A 9 10.142 -24.272 -14.265 1.00 0.00 C ATOM 147 CE3 TRP A 9 12.173 -23.528 -13.192 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.520 -25.608 -14.157 1.00 0.00 C ATOM 149 CZ3 TRP A 9 12.548 -24.854 -13.085 1.00 0.00 C ATOM 150 CH2 TRP A 9 11.724 -25.880 -13.566 1.00 0.00 C ATOM 0 H TRP A 9 12.181 -18.339 -14.916 1.00 0.00 H new ATOM 0 HA TRP A 9 12.851 -20.868 -13.608 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.677 -20.462 -12.663 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.038 -19.890 -14.191 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.333 -21.652 -15.017 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.239 -24.229 -15.224 1.00 0.00 H new ATOM 0 HE3 TRP A 9 12.815 -22.744 -12.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 9.886 -26.401 -14.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.492 -25.103 -12.623 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.046 -26.906 -13.468 1.00 0.00 H new ATOM 161 N GLY A 10 13.179 -21.765 -15.877 1.00 0.00 N ATOM 162 CA GLY A 10 13.411 -22.283 -17.213 1.00 0.00 C ATOM 163 C GLY A 10 13.796 -21.196 -18.197 1.00 0.00 C ATOM 164 O GLY A 10 13.409 -21.241 -19.364 1.00 0.00 O ATOM 0 H GLY A 10 13.730 -22.210 -15.143 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.202 -23.033 -17.177 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.511 -22.786 -17.566 1.00 0.00 H new ATOM 168 N GLY A 11 14.559 -20.215 -17.726 1.00 0.00 N ATOM 169 CA GLY A 11 14.981 -19.125 -18.585 1.00 0.00 C ATOM 170 C GLY A 11 13.897 -18.082 -18.774 1.00 0.00 C ATOM 171 O GLY A 11 14.098 -17.089 -19.473 1.00 0.00 O ATOM 0 H GLY A 11 14.893 -20.156 -16.764 1.00 0.00 H new ATOM 0 HA2 GLY A 11 15.865 -18.652 -18.158 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.270 -19.524 -19.557 1.00 0.00 H new ATOM 175 N GLN A 12 12.745 -18.308 -18.151 1.00 0.00 N ATOM 176 CA GLN A 12 11.625 -17.381 -18.256 1.00 0.00 C ATOM 177 C GLN A 12 11.717 -16.293 -17.191 1.00 0.00 C ATOM 178 O GLN A 12 12.366 -16.474 -16.161 1.00 0.00 O ATOM 179 CB GLN A 12 10.299 -18.132 -18.121 1.00 0.00 C ATOM 180 CG GLN A 12 10.164 -19.303 -19.081 1.00 0.00 C ATOM 181 CD GLN A 12 10.245 -18.879 -20.534 1.00 0.00 C ATOM 182 OE1 GLN A 12 9.328 -18.247 -21.061 1.00 0.00 O ATOM 183 NE2 GLN A 12 11.345 -19.224 -21.192 1.00 0.00 N ATOM 0 H GLN A 12 12.563 -19.125 -17.568 1.00 0.00 H new ATOM 0 HA GLN A 12 11.669 -16.908 -19.237 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.200 -18.497 -17.099 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.478 -17.436 -18.292 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.950 -20.030 -18.874 1.00 0.00 H new ATOM 0 HG3 GLN A 12 9.212 -19.804 -18.905 1.00 0.00 H new ATOM 0 HE21 GLN A 12 12.080 -19.748 -20.717 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.455 -18.966 -22.173 1.00 0.00 H new ATOM 192 N GLU A 13 11.063 -15.164 -17.446 1.00 0.00 N ATOM 193 CA GLU A 13 11.073 -14.048 -16.509 1.00 0.00 C ATOM 194 C GLU A 13 9.661 -13.516 -16.281 1.00 0.00 C ATOM 195 O GLU A 13 8.974 -13.124 -17.225 1.00 0.00 O ATOM 196 CB GLU A 13 11.975 -12.926 -17.027 1.00 0.00 C ATOM 197 CG GLU A 13 13.360 -12.921 -16.403 1.00 0.00 C ATOM 198 CD GLU A 13 14.402 -12.282 -17.300 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.632 -12.808 -18.409 1.00 0.00 O ATOM 200 OE2 GLU A 13 14.987 -11.256 -16.894 1.00 0.00 O ATOM 0 H GLU A 13 10.520 -14.999 -18.293 1.00 0.00 H new ATOM 0 HA GLU A 13 11.464 -14.409 -15.558 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.073 -13.021 -18.108 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.495 -11.967 -16.833 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.325 -12.385 -15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.657 -13.946 -16.180 1.00 0.00 H new ATOM 207 N TYR A 14 9.235 -13.505 -15.023 1.00 0.00 N ATOM 208 CA TYR A 14 7.904 -13.024 -14.671 1.00 0.00 C ATOM 209 C TYR A 14 7.958 -12.120 -13.444 1.00 0.00 C ATOM 210 O TYR A 14 8.406 -12.533 -12.374 1.00 0.00 O ATOM 211 CB TYR A 14 6.966 -14.204 -14.409 1.00 0.00 C ATOM 212 CG TYR A 14 6.975 -15.241 -15.509 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.244 -15.053 -16.675 1.00 0.00 C ATOM 214 CD2 TYR A 14 7.716 -16.410 -15.381 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.249 -15.999 -17.682 1.00 0.00 C ATOM 216 CE2 TYR A 14 7.728 -17.361 -16.384 1.00 0.00 C ATOM 217 CZ TYR A 14 6.993 -17.151 -17.532 1.00 0.00 C ATOM 218 OH TYR A 14 7.002 -18.094 -18.533 1.00 0.00 O ATOM 0 H TYR A 14 9.792 -13.824 -14.230 1.00 0.00 H new ATOM 0 HA TYR A 14 7.521 -12.443 -15.510 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.248 -14.680 -13.470 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.950 -13.829 -14.283 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.662 -14.152 -16.797 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.292 -16.578 -14.483 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.674 -15.837 -18.582 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.310 -18.264 -16.269 1.00 0.00 H new ATOM 0 HH TYR A 14 6.872 -17.653 -19.399 1.00 0.00 H new ATOM 228 N SER A 15 7.497 -10.884 -13.606 1.00 0.00 N ATOM 229 CA SER A 15 7.496 -9.919 -12.513 1.00 0.00 C ATOM 230 C SER A 15 6.116 -9.833 -11.867 1.00 0.00 C ATOM 231 O SER A 15 5.093 -9.909 -12.547 1.00 0.00 O ATOM 232 CB SER A 15 7.920 -8.540 -13.022 1.00 0.00 C ATOM 233 OG SER A 15 7.146 -8.149 -14.143 1.00 0.00 O ATOM 0 H SER A 15 7.119 -10.527 -14.484 1.00 0.00 H new ATOM 0 HA SER A 15 8.210 -10.256 -11.762 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.808 -7.805 -12.225 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.975 -8.558 -13.294 1.00 0.00 H new ATOM 0 HG SER A 15 7.436 -7.264 -14.448 1.00 0.00 H new ATOM 239 N VAL A 16 6.097 -9.673 -10.547 1.00 0.00 N ATOM 240 CA VAL A 16 4.845 -9.575 -9.807 1.00 0.00 C ATOM 241 C VAL A 16 4.449 -8.119 -9.587 1.00 0.00 C ATOM 242 O VAL A 16 5.304 -7.250 -9.420 1.00 0.00 O ATOM 243 CB VAL A 16 4.943 -10.281 -8.442 1.00 0.00 C ATOM 244 CG1 VAL A 16 5.047 -9.260 -7.319 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.749 -11.199 -8.230 1.00 0.00 C ATOM 0 H VAL A 16 6.935 -9.609 -9.969 1.00 0.00 H new ATOM 0 HA VAL A 16 4.082 -10.069 -10.409 1.00 0.00 H new ATOM 0 HB VAL A 16 5.847 -10.890 -8.432 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.115 -9.777 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.937 -8.648 -7.465 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.163 -8.622 -7.324 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.835 -11.690 -7.260 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.830 -10.614 -8.260 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.725 -11.953 -9.017 1.00 0.00 H new ATOM 255 N THR A 17 3.145 -7.860 -9.588 1.00 0.00 N ATOM 256 CA THR A 17 2.634 -6.509 -9.389 1.00 0.00 C ATOM 257 C THR A 17 1.243 -6.534 -8.766 1.00 0.00 C ATOM 258 O THR A 17 0.354 -5.788 -9.177 1.00 0.00 O ATOM 259 CB THR A 17 2.577 -5.729 -10.716 1.00 0.00 C ATOM 260 OG1 THR A 17 1.901 -6.506 -11.712 1.00 0.00 O ATOM 261 CG2 THR A 17 3.976 -5.381 -11.200 1.00 0.00 C ATOM 0 H THR A 17 2.424 -8.568 -9.724 1.00 0.00 H new ATOM 0 HA THR A 17 3.324 -6.006 -8.711 1.00 0.00 H new ATOM 0 HB THR A 17 2.029 -4.803 -10.544 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.867 -6.003 -12.552 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.910 -4.831 -12.138 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.477 -4.765 -10.453 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.545 -6.297 -11.356 1.00 0.00 H new ATOM 269 N THR A 18 1.061 -7.396 -7.770 1.00 0.00 N ATOM 270 CA THR A 18 -0.223 -7.517 -7.091 1.00 0.00 C ATOM 271 C THR A 18 -0.060 -7.385 -5.581 1.00 0.00 C ATOM 272 O THR A 18 -0.919 -6.822 -4.900 1.00 0.00 O ATOM 273 CB THR A 18 -0.900 -8.864 -7.406 1.00 0.00 C ATOM 274 OG1 THR A 18 -1.973 -9.100 -6.487 1.00 0.00 O ATOM 275 CG2 THR A 18 0.102 -10.006 -7.328 1.00 0.00 C ATOM 0 H THR A 18 1.786 -8.020 -7.416 1.00 0.00 H new ATOM 0 HA THR A 18 -0.853 -6.707 -7.459 1.00 0.00 H new ATOM 0 HB THR A 18 -1.295 -8.818 -8.421 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.399 -9.958 -6.695 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.400 -10.947 -7.554 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.901 -9.839 -8.050 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.524 -10.052 -6.324 1.00 0.00 H new ATOM 283 N LEU A 19 1.046 -7.906 -5.062 1.00 0.00 N ATOM 284 CA LEU A 19 1.323 -7.845 -3.631 1.00 0.00 C ATOM 285 C LEU A 19 2.761 -7.409 -3.372 1.00 0.00 C ATOM 286 O LEU A 19 3.523 -7.162 -4.307 1.00 0.00 O ATOM 287 CB LEU A 19 1.066 -9.207 -2.984 1.00 0.00 C ATOM 288 CG LEU A 19 1.994 -10.342 -3.419 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.304 -11.258 -2.245 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.372 -11.131 -4.562 1.00 0.00 C ATOM 0 H LEU A 19 1.766 -8.376 -5.611 1.00 0.00 H new ATOM 0 HA LEU A 19 0.655 -7.107 -3.188 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.145 -9.094 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.039 -9.501 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 19 2.929 -9.906 -3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.966 -12.060 -2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.792 -10.686 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.377 -11.686 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.046 -11.935 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.422 -11.556 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.201 -10.469 -5.411 1.00 0.00 H new ATOM 302 N SER A 20 3.126 -7.318 -2.097 1.00 0.00 N ATOM 303 CA SER A 20 4.473 -6.910 -1.715 1.00 0.00 C ATOM 304 C SER A 20 5.275 -8.101 -1.198 1.00 0.00 C ATOM 305 O SER A 20 4.728 -9.181 -0.976 1.00 0.00 O ATOM 306 CB SER A 20 4.414 -5.818 -0.645 1.00 0.00 C ATOM 307 OG SER A 20 3.077 -5.418 -0.398 1.00 0.00 O ATOM 0 H SER A 20 2.508 -7.521 -1.311 1.00 0.00 H new ATOM 0 HA SER A 20 4.971 -6.515 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.864 -6.184 0.278 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.001 -4.958 -0.966 1.00 0.00 H new ATOM 0 HG SER A 20 2.615 -6.118 0.109 1.00 0.00 H new ATOM 313 N GLU A 21 6.574 -7.894 -1.008 1.00 0.00 N ATOM 314 CA GLU A 21 7.452 -8.951 -0.518 1.00 0.00 C ATOM 315 C GLU A 21 7.174 -9.251 0.952 1.00 0.00 C ATOM 316 O GLU A 21 7.496 -10.330 1.448 1.00 0.00 O ATOM 317 CB GLU A 21 8.918 -8.552 -0.701 1.00 0.00 C ATOM 318 CG GLU A 21 9.416 -7.571 0.347 1.00 0.00 C ATOM 319 CD GLU A 21 10.858 -7.159 0.122 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.569 -7.872 -0.617 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.275 -6.125 0.684 1.00 0.00 O ATOM 0 H GLU A 21 7.042 -7.005 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 21 7.253 -9.852 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.537 -9.449 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.045 -8.111 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.783 -6.684 0.339 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.321 -8.021 1.335 1.00 0.00 H new ATOM 328 N ASP A 22 6.574 -8.288 1.643 1.00 0.00 N ATOM 329 CA ASP A 22 6.251 -8.448 3.056 1.00 0.00 C ATOM 330 C ASP A 22 4.904 -9.143 3.230 1.00 0.00 C ATOM 331 O ASP A 22 4.433 -9.332 4.352 1.00 0.00 O ATOM 332 CB ASP A 22 6.231 -7.087 3.753 1.00 0.00 C ATOM 333 CG ASP A 22 6.293 -7.209 5.263 1.00 0.00 C ATOM 334 OD1 ASP A 22 7.394 -7.466 5.793 1.00 0.00 O ATOM 335 OD2 ASP A 22 5.240 -7.048 5.915 1.00 0.00 O ATOM 0 H ASP A 22 6.301 -7.388 1.247 1.00 0.00 H new ATOM 0 HA ASP A 22 7.022 -9.070 3.512 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.075 -6.491 3.405 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.324 -6.551 3.472 1.00 0.00 H new ATOM 340 N ASP A 23 4.290 -9.520 2.115 1.00 0.00 N ATOM 341 CA ASP A 23 2.997 -10.194 2.144 1.00 0.00 C ATOM 342 C ASP A 23 3.150 -11.643 2.594 1.00 0.00 C ATOM 343 O ASP A 23 2.875 -11.980 3.746 1.00 0.00 O ATOM 344 CB ASP A 23 2.339 -10.142 0.764 1.00 0.00 C ATOM 345 CG ASP A 23 1.647 -8.819 0.502 1.00 0.00 C ATOM 346 OD1 ASP A 23 2.337 -7.777 0.510 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.416 -8.824 0.290 1.00 0.00 O ATOM 0 H ASP A 23 4.667 -9.371 1.179 1.00 0.00 H new ATOM 0 HA ASP A 23 2.361 -9.675 2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.095 -10.311 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.613 -10.951 0.680 1.00 0.00 H new ATOM 352 N THR A 24 3.590 -12.499 1.677 1.00 0.00 N ATOM 353 CA THR A 24 3.777 -13.913 1.978 1.00 0.00 C ATOM 354 C THR A 24 4.251 -14.679 0.748 1.00 0.00 C ATOM 355 O THR A 24 3.907 -14.333 -0.382 1.00 0.00 O ATOM 356 CB THR A 24 2.477 -14.553 2.499 1.00 0.00 C ATOM 357 OG1 THR A 24 1.363 -13.699 2.217 1.00 0.00 O ATOM 358 CG2 THR A 24 2.561 -14.807 3.997 1.00 0.00 C ATOM 0 H THR A 24 3.824 -12.237 0.719 1.00 0.00 H new ATOM 0 HA THR A 24 4.539 -13.973 2.755 1.00 0.00 H new ATOM 0 HB THR A 24 2.340 -15.508 1.992 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.540 -14.114 2.550 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.631 -15.259 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.392 -15.481 4.206 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.720 -13.863 4.518 1.00 0.00 H new ATOM 366 N VAL A 25 5.042 -15.723 0.975 1.00 0.00 N ATOM 367 CA VAL A 25 5.561 -16.540 -0.115 1.00 0.00 C ATOM 368 C VAL A 25 4.428 -17.153 -0.930 1.00 0.00 C ATOM 369 O VAL A 25 4.391 -17.027 -2.155 1.00 0.00 O ATOM 370 CB VAL A 25 6.468 -17.668 0.412 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.301 -18.924 -0.430 1.00 0.00 C ATOM 372 CG2 VAL A 25 7.921 -17.218 0.431 1.00 0.00 C ATOM 0 H VAL A 25 5.337 -16.023 1.904 1.00 0.00 H new ATOM 0 HA VAL A 25 6.148 -15.880 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 25 6.171 -17.902 1.434 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.949 -19.710 -0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.263 -19.255 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.570 -18.708 -1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.548 -18.027 0.806 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.234 -16.955 -0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.024 -16.349 1.080 1.00 0.00 H new ATOM 382 N LEU A 26 3.504 -17.815 -0.244 1.00 0.00 N ATOM 383 CA LEU A 26 2.367 -18.448 -0.904 1.00 0.00 C ATOM 384 C LEU A 26 1.532 -17.418 -1.657 1.00 0.00 C ATOM 385 O LEU A 26 0.816 -17.754 -2.601 1.00 0.00 O ATOM 386 CB LEU A 26 1.496 -19.176 0.122 1.00 0.00 C ATOM 387 CG LEU A 26 0.103 -18.592 0.354 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.867 -19.087 -0.708 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.400 -18.947 1.746 1.00 0.00 C ATOM 0 H LEU A 26 3.519 -17.928 0.770 1.00 0.00 H new ATOM 0 HA LEU A 26 2.753 -19.171 -1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.385 -20.213 -0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.026 -19.189 1.074 1.00 0.00 H new ATOM 0 HG LEU A 26 0.168 -17.507 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.854 -18.661 -0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.515 -18.781 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.928 -20.174 -0.666 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.393 -18.523 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.449 -20.031 1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.282 -18.542 2.494 1.00 0.00 H new ATOM 401 N ASP A 27 1.630 -16.162 -1.235 1.00 0.00 N ATOM 402 CA ASP A 27 0.886 -15.081 -1.872 1.00 0.00 C ATOM 403 C ASP A 27 1.524 -14.692 -3.202 1.00 0.00 C ATOM 404 O ASP A 27 0.831 -14.495 -4.201 1.00 0.00 O ATOM 405 CB ASP A 27 0.823 -13.864 -0.948 1.00 0.00 C ATOM 406 CG ASP A 27 -0.215 -12.852 -1.393 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.583 -12.867 -2.586 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.658 -12.045 -0.549 1.00 0.00 O ATOM 0 H ASP A 27 2.217 -15.867 -0.455 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.127 -15.435 -2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.594 -14.193 0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.802 -13.386 -0.915 1.00 0.00 H new ATOM 413 N LEU A 28 2.848 -14.582 -3.208 1.00 0.00 N ATOM 414 CA LEU A 28 3.580 -14.216 -4.416 1.00 0.00 C ATOM 415 C LEU A 28 3.804 -15.433 -5.307 1.00 0.00 C ATOM 416 O LEU A 28 3.491 -15.411 -6.497 1.00 0.00 O ATOM 417 CB LEU A 28 4.924 -13.584 -4.049 1.00 0.00 C ATOM 418 CG LEU A 28 5.524 -12.634 -5.086 1.00 0.00 C ATOM 419 CD1 LEU A 28 6.004 -11.353 -4.422 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.665 -13.310 -5.832 1.00 0.00 C ATOM 0 H LEU A 28 3.437 -14.741 -2.390 1.00 0.00 H new ATOM 0 HA LEU A 28 2.982 -13.490 -4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.803 -13.039 -3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.640 -14.384 -3.861 1.00 0.00 H new ATOM 0 HG LEU A 28 4.748 -12.377 -5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.428 -10.689 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.164 -10.859 -3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.765 -11.591 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.080 -12.619 -6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.443 -13.598 -5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.291 -14.198 -6.341 1.00 0.00 H new ATOM 432 N LYS A 29 4.346 -16.496 -4.722 1.00 0.00 N ATOM 433 CA LYS A 29 4.609 -17.725 -5.461 1.00 0.00 C ATOM 434 C LYS A 29 3.373 -18.170 -6.235 1.00 0.00 C ATOM 435 O LYS A 29 3.463 -18.541 -7.405 1.00 0.00 O ATOM 436 CB LYS A 29 5.052 -18.835 -4.505 1.00 0.00 C ATOM 437 CG LYS A 29 6.560 -18.961 -4.377 1.00 0.00 C ATOM 438 CD LYS A 29 7.165 -17.747 -3.691 1.00 0.00 C ATOM 439 CE LYS A 29 7.496 -16.650 -4.691 1.00 0.00 C ATOM 440 NZ LYS A 29 8.846 -16.070 -4.451 1.00 0.00 N ATOM 0 H LYS A 29 4.612 -16.531 -3.738 1.00 0.00 H new ATOM 0 HA LYS A 29 5.410 -17.526 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.627 -18.645 -3.519 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.644 -19.785 -4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.804 -19.860 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.002 -19.079 -5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.468 -17.364 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.070 -18.041 -3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.449 -17.054 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.746 -15.862 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.317 -15.897 -5.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.751 -15.172 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.414 -16.735 -3.888 1.00 0.00 H new ATOM 454 N GLN A 30 2.220 -18.129 -5.575 1.00 0.00 N ATOM 455 CA GLN A 30 0.966 -18.528 -6.202 1.00 0.00 C ATOM 456 C GLN A 30 0.710 -17.719 -7.470 1.00 0.00 C ATOM 457 O GLN A 30 0.182 -18.237 -8.454 1.00 0.00 O ATOM 458 CB GLN A 30 -0.197 -18.348 -5.225 1.00 0.00 C ATOM 459 CG GLN A 30 -0.546 -16.894 -4.955 1.00 0.00 C ATOM 460 CD GLN A 30 -1.716 -16.410 -5.788 1.00 0.00 C ATOM 461 OE1 GLN A 30 -1.611 -15.419 -6.511 1.00 0.00 O ATOM 462 NE2 GLN A 30 -2.842 -17.108 -5.690 1.00 0.00 N ATOM 0 H GLN A 30 2.129 -17.823 -4.606 1.00 0.00 H new ATOM 0 HA GLN A 30 1.044 -19.581 -6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.076 -18.856 -5.622 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.053 -18.834 -4.282 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.782 -16.771 -3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.324 -16.271 -5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.885 -17.923 -5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.663 -16.829 -6.226 1.00 0.00 H new ATOM 471 N PHE A 31 1.088 -16.445 -7.439 1.00 0.00 N ATOM 472 CA PHE A 31 0.898 -15.564 -8.585 1.00 0.00 C ATOM 473 C PHE A 31 1.768 -16.004 -9.760 1.00 0.00 C ATOM 474 O PHE A 31 1.266 -16.276 -10.851 1.00 0.00 O ATOM 475 CB PHE A 31 1.228 -14.119 -8.205 1.00 0.00 C ATOM 476 CG PHE A 31 0.759 -13.111 -9.214 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.561 -12.689 -9.229 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.637 -12.585 -10.148 1.00 0.00 C ATOM 479 CE1 PHE A 31 -0.996 -11.762 -10.157 1.00 0.00 C ATOM 480 CE2 PHE A 31 1.208 -11.657 -11.078 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.110 -11.244 -11.082 1.00 0.00 C ATOM 0 H PHE A 31 1.527 -16.000 -6.633 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.148 -15.623 -8.887 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.774 -13.893 -7.240 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.307 -14.022 -8.081 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.258 -13.089 -8.507 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.669 -12.904 -10.149 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.028 -11.443 -10.159 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.903 -11.255 -11.801 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.447 -10.518 -11.807 1.00 0.00 H new ATOM 491 N LEU A 32 3.074 -16.070 -9.528 1.00 0.00 N ATOM 492 CA LEU A 32 4.015 -16.476 -10.566 1.00 0.00 C ATOM 493 C LEU A 32 3.798 -17.934 -10.958 1.00 0.00 C ATOM 494 O LEU A 32 4.099 -18.338 -12.081 1.00 0.00 O ATOM 495 CB LEU A 32 5.454 -16.274 -10.085 1.00 0.00 C ATOM 496 CG LEU A 32 5.801 -16.892 -8.731 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.232 -18.341 -8.899 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.893 -16.087 -8.041 1.00 0.00 C ATOM 0 H LEU A 32 3.505 -15.848 -8.631 1.00 0.00 H new ATOM 0 HA LEU A 32 3.841 -15.853 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.128 -16.688 -10.835 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.652 -15.203 -10.035 1.00 0.00 H new ATOM 0 HG LEU A 32 4.909 -16.870 -8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.475 -18.764 -7.924 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.420 -18.912 -9.350 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.110 -18.387 -9.543 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.127 -16.542 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.787 -16.077 -8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.548 -15.065 -7.885 1.00 0.00 H new ATOM 510 N LYS A 33 3.271 -18.720 -10.025 1.00 0.00 N ATOM 511 CA LYS A 33 3.010 -20.133 -10.272 1.00 0.00 C ATOM 512 C LYS A 33 2.087 -20.313 -11.473 1.00 0.00 C ATOM 513 O LYS A 33 2.213 -21.279 -12.227 1.00 0.00 O ATOM 514 CB LYS A 33 2.385 -20.781 -9.034 1.00 0.00 C ATOM 515 CG LYS A 33 1.166 -21.633 -9.343 1.00 0.00 C ATOM 516 CD LYS A 33 1.557 -22.954 -9.984 1.00 0.00 C ATOM 517 CE LYS A 33 0.373 -23.610 -10.678 1.00 0.00 C ATOM 518 NZ LYS A 33 0.417 -23.414 -12.153 1.00 0.00 N ATOM 0 H LYS A 33 3.016 -18.402 -9.090 1.00 0.00 H new ATOM 0 HA LYS A 33 3.960 -20.620 -10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.135 -21.400 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.102 -19.999 -8.329 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.612 -21.823 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.499 -21.087 -10.010 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.356 -22.787 -10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.952 -23.626 -9.222 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.366 -24.677 -10.453 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.555 -23.195 -10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.552 -23.325 -12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.951 -22.549 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.883 -24.231 -12.598 1.00 0.00 H new ATOM 532 N THR A 34 1.159 -19.377 -11.647 1.00 0.00 N ATOM 533 CA THR A 34 0.216 -19.432 -12.757 1.00 0.00 C ATOM 534 C THR A 34 0.902 -19.104 -14.078 1.00 0.00 C ATOM 535 O THR A 34 0.454 -19.528 -15.144 1.00 0.00 O ATOM 536 CB THR A 34 -0.958 -18.459 -12.545 1.00 0.00 C ATOM 537 OG1 THR A 34 -2.091 -18.884 -13.311 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.568 -17.045 -12.949 1.00 0.00 C ATOM 0 H THR A 34 1.040 -18.571 -11.033 1.00 0.00 H new ATOM 0 HA THR A 34 -0.169 -20.451 -12.795 1.00 0.00 H new ATOM 0 HB THR A 34 -1.215 -18.460 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.834 -18.261 -13.170 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.413 -16.375 -12.791 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.276 -16.714 -12.344 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.287 -17.032 -14.002 1.00 0.00 H new ATOM 546 N LEU A 35 1.991 -18.347 -14.002 1.00 0.00 N ATOM 547 CA LEU A 35 2.740 -17.962 -15.193 1.00 0.00 C ATOM 548 C LEU A 35 3.903 -18.919 -15.438 1.00 0.00 C ATOM 549 O LEU A 35 4.411 -19.023 -16.555 1.00 0.00 O ATOM 550 CB LEU A 35 3.263 -16.532 -15.051 1.00 0.00 C ATOM 551 CG LEU A 35 2.211 -15.458 -14.769 1.00 0.00 C ATOM 552 CD1 LEU A 35 2.850 -14.078 -14.746 1.00 0.00 C ATOM 553 CD2 LEU A 35 1.099 -15.515 -15.806 1.00 0.00 C ATOM 0 H LEU A 35 2.375 -17.988 -13.128 1.00 0.00 H new ATOM 0 HA LEU A 35 2.066 -18.012 -16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.997 -16.513 -14.246 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.788 -16.266 -15.968 1.00 0.00 H new ATOM 0 HG LEU A 35 1.776 -15.651 -13.788 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.086 -13.327 -14.544 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.610 -14.042 -13.965 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.312 -13.875 -15.712 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.360 -14.744 -15.589 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.518 -15.348 -16.798 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.622 -16.494 -15.774 1.00 0.00 H new ATOM 565 N THR A 36 4.319 -19.618 -14.387 1.00 0.00 N ATOM 566 CA THR A 36 5.421 -20.566 -14.487 1.00 0.00 C ATOM 567 C THR A 36 4.908 -22.001 -14.535 1.00 0.00 C ATOM 568 O THR A 36 5.585 -22.896 -15.041 1.00 0.00 O ATOM 569 CB THR A 36 6.396 -20.421 -13.304 1.00 0.00 C ATOM 570 OG1 THR A 36 5.698 -20.604 -12.067 1.00 0.00 O ATOM 571 CG2 THR A 36 7.064 -19.055 -13.318 1.00 0.00 C ATOM 0 H THR A 36 3.909 -19.545 -13.456 1.00 0.00 H new ATOM 0 HA THR A 36 5.949 -20.340 -15.413 1.00 0.00 H new ATOM 0 HB THR A 36 7.166 -21.186 -13.402 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.149 -19.814 -11.881 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.748 -18.976 -12.473 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.620 -18.931 -14.248 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.304 -18.277 -13.243 1.00 0.00 H new ATOM 579 N GLY A 37 3.707 -22.214 -14.006 1.00 0.00 N ATOM 580 CA GLY A 37 3.124 -23.543 -14.000 1.00 0.00 C ATOM 581 C GLY A 37 3.510 -24.339 -12.769 1.00 0.00 C ATOM 582 O GLY A 37 2.794 -25.256 -12.365 1.00 0.00 O ATOM 0 H GLY A 37 3.127 -21.490 -13.582 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.038 -23.460 -14.050 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.444 -24.081 -14.892 1.00 0.00 H new ATOM 586 N VAL A 38 4.645 -23.991 -12.173 1.00 0.00 N ATOM 587 CA VAL A 38 5.126 -24.680 -10.981 1.00 0.00 C ATOM 588 C VAL A 38 4.661 -23.974 -9.713 1.00 0.00 C ATOM 589 O VAL A 38 4.735 -22.749 -9.609 1.00 0.00 O ATOM 590 CB VAL A 38 6.663 -24.776 -10.969 1.00 0.00 C ATOM 591 CG1 VAL A 38 7.128 -25.769 -9.916 1.00 0.00 C ATOM 592 CG2 VAL A 38 7.183 -25.163 -12.345 1.00 0.00 C ATOM 0 H VAL A 38 5.249 -23.236 -12.496 1.00 0.00 H new ATOM 0 HA VAL A 38 4.708 -25.686 -11.007 1.00 0.00 H new ATOM 0 HB VAL A 38 7.069 -23.797 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.217 -25.823 -9.923 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.787 -25.444 -8.933 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.714 -26.753 -10.136 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.271 -25.226 -12.318 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.770 -26.130 -12.631 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.881 -24.410 -13.073 1.00 0.00 H new ATOM 602 N LEU A 39 4.184 -24.753 -8.749 1.00 0.00 N ATOM 603 CA LEU A 39 3.707 -24.203 -7.485 1.00 0.00 C ATOM 604 C LEU A 39 4.766 -24.343 -6.396 1.00 0.00 C ATOM 605 O LEU A 39 5.693 -25.147 -6.498 1.00 0.00 O ATOM 606 CB LEU A 39 2.419 -24.905 -7.053 1.00 0.00 C ATOM 607 CG LEU A 39 2.274 -26.365 -7.484 1.00 0.00 C ATOM 608 CD1 LEU A 39 2.008 -26.457 -8.978 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.519 -27.157 -7.112 1.00 0.00 C ATOM 0 H LEU A 39 4.117 -25.768 -8.818 1.00 0.00 H new ATOM 0 HA LEU A 39 3.503 -23.143 -7.633 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.351 -24.859 -5.966 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.573 -24.344 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 39 1.423 -26.796 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.908 -27.503 -9.266 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.087 -25.925 -9.217 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.838 -26.008 -9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.398 -28.194 -7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.387 -26.726 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.665 -27.120 -6.032 1.00 0.00 H new ATOM 621 N PRO A 40 4.626 -23.545 -5.327 1.00 0.00 N ATOM 622 CA PRO A 40 5.560 -23.564 -4.197 1.00 0.00 C ATOM 623 C PRO A 40 5.452 -24.845 -3.377 1.00 0.00 C ATOM 624 O PRO A 40 6.389 -25.224 -2.676 1.00 0.00 O ATOM 625 CB PRO A 40 5.130 -22.356 -3.361 1.00 0.00 C ATOM 626 CG PRO A 40 3.693 -22.153 -3.700 1.00 0.00 C ATOM 627 CD PRO A 40 3.545 -22.563 -5.139 1.00 0.00 C ATOM 0 HA PRO A 40 6.598 -23.524 -4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.263 -22.544 -2.296 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.723 -21.474 -3.605 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.051 -22.754 -3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.402 -21.112 -3.559 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.566 -23.001 -5.333 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.653 -21.713 -5.812 1.00 0.00 H new ATOM 635 N GLU A 41 4.303 -25.507 -3.471 1.00 0.00 N ATOM 636 CA GLU A 41 4.074 -26.746 -2.736 1.00 0.00 C ATOM 637 C GLU A 41 5.002 -27.851 -3.231 1.00 0.00 C ATOM 638 O GLU A 41 5.218 -28.849 -2.543 1.00 0.00 O ATOM 639 CB GLU A 41 2.616 -27.187 -2.879 1.00 0.00 C ATOM 640 CG GLU A 41 2.246 -27.621 -4.287 1.00 0.00 C ATOM 641 CD GLU A 41 0.912 -28.339 -4.345 1.00 0.00 C ATOM 642 OE1 GLU A 41 -0.130 -27.653 -4.396 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.910 -29.588 -4.340 1.00 0.00 O ATOM 0 H GLU A 41 3.517 -25.207 -4.048 1.00 0.00 H new ATOM 0 HA GLU A 41 4.288 -26.560 -1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.426 -28.012 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.966 -26.365 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.212 -26.746 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.024 -28.277 -4.677 1.00 0.00 H new ATOM 650 N ARG A 42 5.548 -27.666 -4.428 1.00 0.00 N ATOM 651 CA ARG A 42 6.451 -28.647 -5.017 1.00 0.00 C ATOM 652 C ARG A 42 7.905 -28.211 -4.860 1.00 0.00 C ATOM 653 O ARG A 42 8.775 -29.023 -4.549 1.00 0.00 O ATOM 654 CB ARG A 42 6.125 -28.849 -6.498 1.00 0.00 C ATOM 655 CG ARG A 42 5.051 -29.895 -6.748 1.00 0.00 C ATOM 656 CD ARG A 42 5.649 -31.288 -6.872 1.00 0.00 C ATOM 657 NE ARG A 42 4.624 -32.306 -7.088 1.00 0.00 N ATOM 658 CZ ARG A 42 3.802 -32.735 -6.136 1.00 0.00 C ATOM 659 NH1 ARG A 42 3.885 -32.237 -4.910 1.00 0.00 N ATOM 660 NH2 ARG A 42 2.896 -33.664 -6.410 1.00 0.00 N ATOM 0 H ARG A 42 5.381 -26.845 -5.010 1.00 0.00 H new ATOM 0 HA ARG A 42 6.314 -29.591 -4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.801 -27.899 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.034 -29.140 -7.025 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.329 -29.879 -5.932 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.507 -29.649 -7.660 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.358 -31.306 -7.700 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.209 -31.524 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 42 4.534 -32.710 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.581 -31.523 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.253 -32.568 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.830 -34.050 -7.352 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.265 -33.993 -5.679 1.00 0.00 H new ATOM 674 N GLN A 43 8.158 -26.925 -5.078 1.00 0.00 N ATOM 675 CA GLN A 43 9.506 -26.382 -4.961 1.00 0.00 C ATOM 676 C GLN A 43 9.494 -25.047 -4.225 1.00 0.00 C ATOM 677 O GLN A 43 8.435 -24.538 -3.858 1.00 0.00 O ATOM 678 CB GLN A 43 10.130 -26.208 -6.347 1.00 0.00 C ATOM 679 CG GLN A 43 9.121 -25.860 -7.429 1.00 0.00 C ATOM 680 CD GLN A 43 9.588 -24.726 -8.320 1.00 0.00 C ATOM 681 OE1 GLN A 43 9.412 -23.552 -7.994 1.00 0.00 O ATOM 682 NE2 GLN A 43 10.188 -25.072 -9.453 1.00 0.00 N ATOM 0 H GLN A 43 7.448 -26.240 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 43 10.106 -27.087 -4.386 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.885 -25.424 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.644 -27.129 -6.623 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.931 -26.742 -8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.175 -25.585 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.313 -26.058 -9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.524 -24.352 -10.093 1.00 0.00 H new ATOM 691 N LYS A 44 10.678 -24.483 -4.011 1.00 0.00 N ATOM 692 CA LYS A 44 10.805 -23.206 -3.319 1.00 0.00 C ATOM 693 C LYS A 44 11.733 -22.265 -4.081 1.00 0.00 C ATOM 694 O LYS A 44 12.611 -22.707 -4.822 1.00 0.00 O ATOM 695 CB LYS A 44 11.334 -23.422 -1.900 1.00 0.00 C ATOM 696 CG LYS A 44 12.709 -24.066 -1.854 1.00 0.00 C ATOM 697 CD LYS A 44 12.613 -25.581 -1.787 1.00 0.00 C ATOM 698 CE LYS A 44 13.791 -26.245 -2.482 1.00 0.00 C ATOM 699 NZ LYS A 44 13.710 -26.111 -3.963 1.00 0.00 N ATOM 0 H LYS A 44 11.565 -24.891 -4.307 1.00 0.00 H new ATOM 0 HA LYS A 44 9.817 -22.750 -3.266 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.375 -22.461 -1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.631 -24.048 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.278 -23.775 -2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.256 -23.696 -0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.578 -25.899 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.683 -25.909 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.720 -25.799 -2.127 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.822 -27.301 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.431 -26.715 -4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.766 -26.404 -4.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.876 -25.120 -4.232 1.00 0.00 H new ATOM 713 N LEU A 45 11.533 -20.965 -3.893 1.00 0.00 N ATOM 714 CA LEU A 45 12.353 -19.960 -4.561 1.00 0.00 C ATOM 715 C LEU A 45 13.690 -19.787 -3.849 1.00 0.00 C ATOM 716 O LEU A 45 13.748 -19.722 -2.620 1.00 0.00 O ATOM 717 CB LEU A 45 11.613 -18.622 -4.613 1.00 0.00 C ATOM 718 CG LEU A 45 10.836 -18.334 -5.898 1.00 0.00 C ATOM 719 CD1 LEU A 45 11.749 -18.443 -7.109 1.00 0.00 C ATOM 720 CD2 LEU A 45 9.654 -19.284 -6.031 1.00 0.00 C ATOM 0 H LEU A 45 10.810 -20.582 -3.284 1.00 0.00 H new ATOM 0 HA LEU A 45 12.546 -20.302 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.917 -18.582 -3.775 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.339 -17.822 -4.464 1.00 0.00 H new ATOM 0 HG LEU A 45 10.453 -17.315 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.179 -18.235 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.562 -17.722 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.162 -19.450 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.113 -19.064 -6.951 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.015 -20.312 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.987 -19.157 -5.178 1.00 0.00 H new ATOM 732 N LEU A 46 14.764 -19.712 -4.628 1.00 0.00 N ATOM 733 CA LEU A 46 16.102 -19.544 -4.072 1.00 0.00 C ATOM 734 C LEU A 46 16.134 -18.400 -3.064 1.00 0.00 C ATOM 735 O LEU A 46 15.854 -17.251 -3.405 1.00 0.00 O ATOM 736 CB LEU A 46 17.111 -19.282 -5.191 1.00 0.00 C ATOM 737 CG LEU A 46 18.160 -20.371 -5.419 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.101 -19.979 -6.547 1.00 0.00 C ATOM 739 CD2 LEU A 46 18.940 -20.637 -4.140 1.00 0.00 C ATOM 0 H LEU A 46 14.734 -19.765 -5.646 1.00 0.00 H new ATOM 0 HA LEU A 46 16.372 -20.465 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.562 -19.135 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.628 -18.347 -4.975 1.00 0.00 H new ATOM 0 HG LEU A 46 17.646 -21.289 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.840 -20.766 -6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.530 -19.841 -7.465 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.608 -19.049 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.682 -21.415 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.442 -19.723 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.255 -20.964 -3.358 1.00 0.00 H new ATOM 751 N GLY A 47 16.478 -18.722 -1.821 1.00 0.00 N ATOM 752 CA GLY A 47 16.542 -17.709 -0.783 1.00 0.00 C ATOM 753 C GLY A 47 17.176 -18.226 0.493 1.00 0.00 C ATOM 754 O GLY A 47 18.350 -18.599 0.505 1.00 0.00 O ATOM 0 H GLY A 47 16.713 -19.666 -1.514 1.00 0.00 H new ATOM 0 HA2 GLY A 47 17.112 -16.855 -1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.535 -17.351 -0.566 1.00 0.00 H new ATOM 758 N LEU A 48 16.399 -18.248 1.571 1.00 0.00 N ATOM 759 CA LEU A 48 16.892 -18.722 2.859 1.00 0.00 C ATOM 760 C LEU A 48 15.860 -19.612 3.544 1.00 0.00 C ATOM 761 O LEU A 48 14.771 -19.838 3.015 1.00 0.00 O ATOM 762 CB LEU A 48 17.239 -17.537 3.762 1.00 0.00 C ATOM 763 CG LEU A 48 18.725 -17.196 3.882 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.508 -18.396 4.390 1.00 0.00 C ATOM 765 CD2 LEU A 48 19.274 -16.727 2.543 1.00 0.00 C ATOM 0 H LEU A 48 15.426 -17.943 1.578 1.00 0.00 H new ATOM 0 HA LEU A 48 17.791 -19.311 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 48 16.714 -16.657 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.852 -17.741 4.760 1.00 0.00 H new ATOM 0 HG LEU A 48 18.835 -16.385 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.563 -18.135 4.469 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.132 -18.687 5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.391 -19.227 3.695 1.00 0.00 H new ATOM 0 HD21 LEU A 48 20.333 -16.489 2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.151 -17.517 1.802 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.732 -15.838 2.219 1.00 0.00 H new ATOM 777 N LYS A 49 16.208 -20.114 4.723 1.00 0.00 N ATOM 778 CA LYS A 49 15.311 -20.977 5.483 1.00 0.00 C ATOM 779 C LYS A 49 15.038 -20.394 6.866 1.00 0.00 C ATOM 780 O LYS A 49 15.956 -19.957 7.560 1.00 0.00 O ATOM 781 CB LYS A 49 15.911 -22.378 5.619 1.00 0.00 C ATOM 782 CG LYS A 49 16.572 -22.882 4.347 1.00 0.00 C ATOM 783 CD LYS A 49 16.511 -24.397 4.250 1.00 0.00 C ATOM 784 CE LYS A 49 16.919 -24.884 2.868 1.00 0.00 C ATOM 785 NZ LYS A 49 15.962 -24.438 1.818 1.00 0.00 N ATOM 0 H LYS A 49 17.106 -19.938 5.174 1.00 0.00 H new ATOM 0 HA LYS A 49 14.367 -21.043 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.647 -22.373 6.423 1.00 0.00 H new ATOM 0 HB3 LYS A 49 15.125 -23.074 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 49 16.079 -22.441 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.612 -22.556 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.167 -24.837 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.499 -24.736 4.473 1.00 0.00 H new ATOM 0 HE2 LYS A 49 17.916 -24.513 2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.976 -25.973 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.590 -25.267 1.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.176 -23.921 2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.451 -23.814 1.145 1.00 0.00 H new ATOM 799 N VAL A 50 13.768 -20.392 7.262 1.00 0.00 N ATOM 800 CA VAL A 50 13.374 -19.865 8.563 1.00 0.00 C ATOM 801 C VAL A 50 12.889 -20.980 9.483 1.00 0.00 C ATOM 802 O VAL A 50 12.113 -21.844 9.074 1.00 0.00 O ATOM 803 CB VAL A 50 12.264 -18.806 8.427 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.005 -19.425 7.840 1.00 0.00 C ATOM 805 CG2 VAL A 50 11.974 -18.164 9.775 1.00 0.00 C ATOM 0 H VAL A 50 12.995 -20.749 6.700 1.00 0.00 H new ATOM 0 HA VAL A 50 14.258 -19.399 8.997 1.00 0.00 H new ATOM 0 HB VAL A 50 12.609 -18.028 7.746 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.232 -18.662 7.751 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.226 -19.834 6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.653 -20.224 8.493 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.187 -17.418 9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.649 -18.929 10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.877 -17.684 10.151 1.00 0.00 H new ATOM 815 N LYS A 51 13.350 -20.955 10.728 1.00 0.00 N ATOM 816 CA LYS A 51 12.962 -21.961 11.709 1.00 0.00 C ATOM 817 C LYS A 51 13.382 -23.355 11.253 1.00 0.00 C ATOM 818 O LYS A 51 12.853 -24.360 11.727 1.00 0.00 O ATOM 819 CB LYS A 51 11.450 -21.922 11.940 1.00 0.00 C ATOM 820 CG LYS A 51 10.933 -20.557 12.358 1.00 0.00 C ATOM 821 CD LYS A 51 11.536 -20.114 13.681 1.00 0.00 C ATOM 822 CE LYS A 51 10.979 -18.771 14.126 1.00 0.00 C ATOM 823 NZ LYS A 51 9.587 -18.891 14.641 1.00 0.00 N ATOM 0 H LYS A 51 13.994 -20.248 11.082 1.00 0.00 H new ATOM 0 HA LYS A 51 13.472 -21.735 12.646 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.943 -22.228 11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.189 -22.650 12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.170 -19.825 11.586 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.847 -20.589 12.445 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.332 -20.865 14.444 1.00 0.00 H new ATOM 0 HD3 LYS A 51 12.619 -20.045 13.583 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.619 -18.352 14.903 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.997 -18.074 13.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.255 -17.960 14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.965 -19.235 13.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.567 -19.562 15.436 1.00 0.00 H new ATOM 837 N GLY A 52 14.337 -23.408 10.330 1.00 0.00 N ATOM 838 CA GLY A 52 14.812 -24.684 9.827 1.00 0.00 C ATOM 839 C GLY A 52 13.999 -25.181 8.648 1.00 0.00 C ATOM 840 O GLY A 52 14.328 -26.202 8.043 1.00 0.00 O ATOM 0 H GLY A 52 14.790 -22.591 9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.856 -24.588 9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.775 -25.423 10.627 1.00 0.00 H new ATOM 844 N LYS A 53 12.932 -24.460 8.321 1.00 0.00 N ATOM 845 CA LYS A 53 12.068 -24.833 7.207 1.00 0.00 C ATOM 846 C LYS A 53 12.441 -24.059 5.947 1.00 0.00 C ATOM 847 O LYS A 53 12.839 -22.895 5.999 1.00 0.00 O ATOM 848 CB LYS A 53 10.603 -24.574 7.563 1.00 0.00 C ATOM 849 CG LYS A 53 10.025 -25.586 8.537 1.00 0.00 C ATOM 850 CD LYS A 53 9.324 -26.722 7.810 1.00 0.00 C ATOM 851 CE LYS A 53 10.106 -28.022 7.923 1.00 0.00 C ATOM 852 NZ LYS A 53 9.213 -29.212 7.867 1.00 0.00 N ATOM 0 H LYS A 53 12.645 -23.613 8.812 1.00 0.00 H new ATOM 0 HA LYS A 53 12.206 -25.897 7.013 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.513 -23.576 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 53 10.009 -24.582 6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.823 -25.989 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.320 -25.089 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.325 -26.860 8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.200 -26.461 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.837 -28.078 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.664 -28.030 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.783 -30.078 7.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.532 -29.172 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.699 -29.218 6.963 1.00 0.00 H new ATOM 866 N PRO A 54 12.308 -24.718 4.786 1.00 0.00 N ATOM 867 CA PRO A 54 12.624 -24.110 3.490 1.00 0.00 C ATOM 868 C PRO A 54 11.627 -23.025 3.100 1.00 0.00 C ATOM 869 O PRO A 54 10.902 -23.159 2.115 1.00 0.00 O ATOM 870 CB PRO A 54 12.541 -25.288 2.516 1.00 0.00 C ATOM 871 CG PRO A 54 11.616 -26.255 3.170 1.00 0.00 C ATOM 872 CD PRO A 54 11.840 -26.107 4.649 1.00 0.00 C ATOM 0 HA PRO A 54 13.594 -23.614 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 54 12.161 -24.972 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.522 -25.731 2.346 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.580 -26.041 2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.823 -27.274 2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.924 -26.280 5.213 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.580 -26.818 5.017 1.00 0.00 H new ATOM 880 N ALA A 55 11.595 -21.949 3.880 1.00 0.00 N ATOM 881 CA ALA A 55 10.688 -20.839 3.614 1.00 0.00 C ATOM 882 C ALA A 55 9.266 -21.337 3.380 1.00 0.00 C ATOM 883 O ALA A 55 8.847 -21.531 2.240 1.00 0.00 O ATOM 884 CB ALA A 55 11.172 -20.037 2.415 1.00 0.00 C ATOM 0 H ALA A 55 12.187 -21.823 4.701 1.00 0.00 H new ATOM 0 HA ALA A 55 10.679 -20.191 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.485 -19.212 2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.167 -19.642 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.211 -20.682 1.537 1.00 0.00 H new ATOM 890 N GLU A 56 8.529 -21.542 4.468 1.00 0.00 N ATOM 891 CA GLU A 56 7.154 -22.019 4.379 1.00 0.00 C ATOM 892 C GLU A 56 6.321 -21.114 3.477 1.00 0.00 C ATOM 893 O GLU A 56 6.809 -20.103 2.973 1.00 0.00 O ATOM 894 CB GLU A 56 6.524 -22.088 5.772 1.00 0.00 C ATOM 895 CG GLU A 56 5.525 -23.221 5.933 1.00 0.00 C ATOM 896 CD GLU A 56 5.979 -24.262 6.937 1.00 0.00 C ATOM 897 OE1 GLU A 56 6.138 -23.912 8.125 1.00 0.00 O ATOM 898 OE2 GLU A 56 6.176 -25.428 6.534 1.00 0.00 O ATOM 0 H GLU A 56 8.861 -21.385 5.420 1.00 0.00 H new ATOM 0 HA GLU A 56 7.171 -23.019 3.945 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.314 -22.204 6.514 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.025 -21.142 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.565 -22.812 6.249 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.365 -23.699 4.967 1.00 0.00 H new ATOM 905 N ASN A 57 5.061 -21.485 3.276 1.00 0.00 N ATOM 906 CA ASN A 57 4.160 -20.708 2.433 1.00 0.00 C ATOM 907 C ASN A 57 3.772 -19.398 3.114 1.00 0.00 C ATOM 908 O ASN A 57 3.598 -18.373 2.455 1.00 0.00 O ATOM 909 CB ASN A 57 2.903 -21.519 2.111 1.00 0.00 C ATOM 910 CG ASN A 57 3.177 -23.009 2.047 1.00 0.00 C ATOM 911 OD1 ASN A 57 4.062 -23.458 1.318 1.00 0.00 O ATOM 912 ND2 ASN A 57 2.417 -23.784 2.812 1.00 0.00 N ATOM 0 H ASN A 57 4.641 -22.319 3.686 1.00 0.00 H new ATOM 0 HA ASN A 57 4.682 -20.475 1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.144 -21.324 2.869 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.494 -21.186 1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.555 -24.795 2.811 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.695 -23.369 3.401 1.00 0.00 H new ATOM 919 N ASP A 58 3.640 -19.441 4.435 1.00 0.00 N ATOM 920 CA ASP A 58 3.275 -18.258 5.205 1.00 0.00 C ATOM 921 C ASP A 58 4.480 -17.344 5.401 1.00 0.00 C ATOM 922 O ASP A 58 4.348 -16.220 5.885 1.00 0.00 O ATOM 923 CB ASP A 58 2.701 -18.665 6.564 1.00 0.00 C ATOM 924 CG ASP A 58 1.799 -17.599 7.154 1.00 0.00 C ATOM 925 OD1 ASP A 58 0.672 -17.426 6.645 1.00 0.00 O ATOM 926 OD2 ASP A 58 2.221 -16.938 8.126 1.00 0.00 O ATOM 0 H ASP A 58 3.780 -20.282 4.995 1.00 0.00 H new ATOM 0 HA ASP A 58 2.515 -17.712 4.647 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.139 -19.593 6.455 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.519 -18.868 7.255 1.00 0.00 H new ATOM 931 N VAL A 59 5.656 -17.835 5.024 1.00 0.00 N ATOM 932 CA VAL A 59 6.886 -17.063 5.158 1.00 0.00 C ATOM 933 C VAL A 59 6.933 -15.924 4.145 1.00 0.00 C ATOM 934 O VAL A 59 6.729 -16.133 2.949 1.00 0.00 O ATOM 935 CB VAL A 59 8.130 -17.952 4.972 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.392 -17.103 4.933 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.211 -18.991 6.079 1.00 0.00 C ATOM 0 H VAL A 59 5.783 -18.764 4.623 1.00 0.00 H new ATOM 0 HA VAL A 59 6.892 -16.649 6.166 1.00 0.00 H new ATOM 0 HB VAL A 59 8.043 -18.475 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.261 -17.748 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.332 -16.400 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.488 -16.551 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.096 -19.611 5.932 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.275 -18.490 7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.320 -19.619 6.055 1.00 0.00 H new ATOM 947 N LYS A 60 7.203 -14.718 4.632 1.00 0.00 N ATOM 948 CA LYS A 60 7.279 -13.544 3.770 1.00 0.00 C ATOM 949 C LYS A 60 8.439 -13.664 2.788 1.00 0.00 C ATOM 950 O LYS A 60 9.373 -14.438 3.005 1.00 0.00 O ATOM 951 CB LYS A 60 7.439 -12.277 4.613 1.00 0.00 C ATOM 952 CG LYS A 60 6.733 -12.346 5.956 1.00 0.00 C ATOM 953 CD LYS A 60 6.102 -11.013 6.324 1.00 0.00 C ATOM 954 CE LYS A 60 4.610 -11.156 6.583 1.00 0.00 C ATOM 955 NZ LYS A 60 4.063 -9.990 7.332 1.00 0.00 N ATOM 0 H LYS A 60 7.373 -14.528 5.620 1.00 0.00 H new ATOM 0 HA LYS A 60 6.351 -13.480 3.202 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.500 -12.093 4.779 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.052 -11.426 4.052 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.963 -13.117 5.924 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.445 -12.638 6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.590 -10.611 7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.266 -10.297 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.084 -11.257 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.425 -12.070 7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.171 -10.261 7.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.749 -9.688 8.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.887 -9.205 6.672 1.00 0.00 H new ATOM 969 N LEU A 61 8.377 -12.893 1.708 1.00 0.00 N ATOM 970 CA LEU A 61 9.424 -12.912 0.692 1.00 0.00 C ATOM 971 C LEU A 61 10.686 -12.222 1.199 1.00 0.00 C ATOM 972 O LEU A 61 11.721 -12.860 1.389 1.00 0.00 O ATOM 973 CB LEU A 61 8.934 -12.230 -0.586 1.00 0.00 C ATOM 974 CG LEU A 61 7.815 -12.946 -1.343 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.146 -14.421 -1.515 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.488 -12.776 -0.619 1.00 0.00 C ATOM 0 H LEU A 61 7.612 -12.247 1.513 1.00 0.00 H new ATOM 0 HA LEU A 61 9.664 -13.952 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.589 -11.228 -0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.783 -12.112 -1.259 1.00 0.00 H new ATOM 0 HG LEU A 61 7.726 -12.497 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.338 -14.914 -2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.074 -14.522 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.263 -14.884 -0.535 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.703 -13.292 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.564 -13.198 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.245 -11.716 -0.549 1.00 0.00 H new ATOM 988 N GLY A 62 10.592 -10.914 1.419 1.00 0.00 N ATOM 989 CA GLY A 62 11.733 -10.159 1.904 1.00 0.00 C ATOM 990 C GLY A 62 12.307 -10.735 3.183 1.00 0.00 C ATOM 991 O GLY A 62 13.405 -10.365 3.599 1.00 0.00 O ATOM 0 H GLY A 62 9.746 -10.364 1.270 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.507 -10.143 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.434 -9.125 2.077 1.00 0.00 H new ATOM 995 N ALA A 63 11.564 -11.641 3.808 1.00 0.00 N ATOM 996 CA ALA A 63 12.006 -12.269 5.047 1.00 0.00 C ATOM 997 C ALA A 63 13.318 -13.019 4.845 1.00 0.00 C ATOM 998 O ALA A 63 14.331 -12.699 5.469 1.00 0.00 O ATOM 999 CB ALA A 63 10.933 -13.211 5.574 1.00 0.00 C ATOM 0 H ALA A 63 10.653 -11.957 3.477 1.00 0.00 H new ATOM 0 HA ALA A 63 12.177 -11.483 5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.277 -13.673 6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.019 -12.650 5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.734 -13.986 4.834 1.00 0.00 H new ATOM 1005 N LEU A 64 13.294 -14.018 3.970 1.00 0.00 N ATOM 1006 CA LEU A 64 14.483 -14.815 3.685 1.00 0.00 C ATOM 1007 C LEU A 64 14.794 -14.814 2.192 1.00 0.00 C ATOM 1008 O LEU A 64 15.957 -14.825 1.789 1.00 0.00 O ATOM 1009 CB LEU A 64 14.289 -16.250 4.177 1.00 0.00 C ATOM 1010 CG LEU A 64 12.842 -16.695 4.393 1.00 0.00 C ATOM 1011 CD1 LEU A 64 12.118 -16.823 3.062 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.798 -18.012 5.155 1.00 0.00 C ATOM 0 H LEU A 64 12.465 -14.296 3.445 1.00 0.00 H new ATOM 0 HA LEU A 64 15.325 -14.368 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.752 -16.925 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.828 -16.367 5.117 1.00 0.00 H new ATOM 0 HG LEU A 64 12.333 -15.936 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.090 -17.141 3.236 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.119 -15.859 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.626 -17.561 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.761 -18.314 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.323 -18.779 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.279 -17.887 6.125 1.00 0.00 H new ATOM 1024 N LYS A 65 13.747 -14.799 1.375 1.00 0.00 N ATOM 1025 CA LYS A 65 13.906 -14.794 -0.075 1.00 0.00 C ATOM 1026 C LYS A 65 14.932 -13.750 -0.505 1.00 0.00 C ATOM 1027 O LYS A 65 16.108 -14.062 -0.695 1.00 0.00 O ATOM 1028 CB LYS A 65 12.564 -14.517 -0.755 1.00 0.00 C ATOM 1029 CG LYS A 65 11.490 -15.538 -0.421 1.00 0.00 C ATOM 1030 CD LYS A 65 11.789 -16.888 -1.053 1.00 0.00 C ATOM 1031 CE LYS A 65 11.962 -17.970 0.002 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.700 -19.328 -0.549 1.00 0.00 N ATOM 0 H LYS A 65 12.778 -14.790 1.692 1.00 0.00 H new ATOM 0 HA LYS A 65 14.264 -15.777 -0.380 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.215 -13.527 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.711 -14.497 -1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.417 -15.650 0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.523 -15.178 -0.771 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.979 -17.163 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.695 -16.817 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.975 -17.929 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.284 -17.778 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.263 -20.029 -0.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.689 -19.553 -0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.964 -19.351 -1.555 1.00 0.00 H new ATOM 1046 N LEU A 66 14.479 -12.510 -0.657 1.00 0.00 N ATOM 1047 CA LEU A 66 15.358 -11.419 -1.063 1.00 0.00 C ATOM 1048 C LEU A 66 14.568 -10.130 -1.264 1.00 0.00 C ATOM 1049 O LEU A 66 13.375 -10.066 -0.966 1.00 0.00 O ATOM 1050 CB LEU A 66 16.095 -11.785 -2.353 1.00 0.00 C ATOM 1051 CG LEU A 66 15.281 -12.551 -3.397 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.185 -11.668 -3.972 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.187 -13.070 -4.504 1.00 0.00 C ATOM 0 H LEU A 66 13.508 -12.235 -0.505 1.00 0.00 H new ATOM 0 HA LEU A 66 16.087 -11.257 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.463 -10.867 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.968 -12.383 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 66 14.812 -13.405 -2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.616 -12.230 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.519 -11.346 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.633 -10.794 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.591 -13.612 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.685 -12.231 -4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.935 -13.739 -4.078 1.00 0.00 H new ATOM 1065 N LYS A 67 15.241 -9.103 -1.773 1.00 0.00 N ATOM 1066 CA LYS A 67 14.603 -7.815 -2.017 1.00 0.00 C ATOM 1067 C LYS A 67 13.511 -7.941 -3.075 1.00 0.00 C ATOM 1068 O LYS A 67 13.412 -8.943 -3.783 1.00 0.00 O ATOM 1069 CB LYS A 67 15.642 -6.784 -2.462 1.00 0.00 C ATOM 1070 CG LYS A 67 16.056 -5.823 -1.361 1.00 0.00 C ATOM 1071 CD LYS A 67 16.814 -4.630 -1.918 1.00 0.00 C ATOM 1072 CE LYS A 67 17.160 -3.630 -0.825 1.00 0.00 C ATOM 1073 NZ LYS A 67 18.164 -4.177 0.129 1.00 0.00 N ATOM 0 H LYS A 67 16.229 -9.138 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 67 14.146 -7.482 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.526 -7.306 -2.828 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.240 -6.213 -3.299 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.171 -5.476 -0.828 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.680 -6.346 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.729 -4.972 -2.402 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.212 -4.140 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.548 -2.717 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.255 -3.357 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.436 -3.438 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 17.753 -4.983 0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.005 -4.492 -0.395 1.00 0.00 H new ATOM 1087 N PRO A 68 12.672 -6.901 -3.187 1.00 0.00 N ATOM 1088 CA PRO A 68 11.574 -6.871 -4.158 1.00 0.00 C ATOM 1089 C PRO A 68 12.072 -6.750 -5.594 1.00 0.00 C ATOM 1090 O PRO A 68 11.870 -7.649 -6.409 1.00 0.00 O ATOM 1091 CB PRO A 68 10.782 -5.622 -3.760 1.00 0.00 C ATOM 1092 CG PRO A 68 11.775 -4.747 -3.075 1.00 0.00 C ATOM 1093 CD PRO A 68 12.731 -5.673 -2.376 1.00 0.00 C ATOM 0 HA PRO A 68 10.987 -7.789 -4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.355 -5.129 -4.633 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.953 -5.873 -3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.298 -4.115 -3.792 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.284 -4.083 -2.363 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.739 -5.260 -2.345 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.430 -5.858 -1.345 1.00 0.00 H new ATOM 1101 N ASN A 69 12.724 -5.632 -5.897 1.00 0.00 N ATOM 1102 CA ASN A 69 13.252 -5.394 -7.235 1.00 0.00 C ATOM 1103 C ASN A 69 14.190 -6.520 -7.659 1.00 0.00 C ATOM 1104 O ASN A 69 14.414 -6.742 -8.849 1.00 0.00 O ATOM 1105 CB ASN A 69 13.990 -4.054 -7.285 1.00 0.00 C ATOM 1106 CG ASN A 69 15.006 -3.913 -6.168 1.00 0.00 C ATOM 1107 OD1 ASN A 69 14.664 -3.540 -5.046 1.00 0.00 O ATOM 1108 ND2 ASN A 69 16.264 -4.211 -6.472 1.00 0.00 N ATOM 0 H ASN A 69 12.899 -4.877 -5.234 1.00 0.00 H new ATOM 0 HA ASN A 69 12.412 -5.364 -7.929 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.494 -3.956 -8.246 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.267 -3.241 -7.220 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.992 -4.135 -5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.502 -4.516 -7.416 1.00 0.00 H new ATOM 1115 N THR A 70 14.736 -7.229 -6.676 1.00 0.00 N ATOM 1116 CA THR A 70 15.651 -8.331 -6.946 1.00 0.00 C ATOM 1117 C THR A 70 14.917 -9.515 -7.565 1.00 0.00 C ATOM 1118 O THR A 70 13.737 -9.738 -7.295 1.00 0.00 O ATOM 1119 CB THR A 70 16.362 -8.798 -5.661 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.114 -7.718 -5.098 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.287 -9.970 -5.951 1.00 0.00 C ATOM 0 H THR A 70 14.560 -7.060 -5.686 1.00 0.00 H new ATOM 0 HA THR A 70 16.395 -7.959 -7.650 1.00 0.00 H new ATOM 0 HB THR A 70 15.603 -9.122 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.731 -8.067 -4.422 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.778 -10.283 -5.029 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.707 -10.801 -6.353 1.00 0.00 H new ATOM 0 HG23 THR A 70 18.040 -9.668 -6.679 1.00 0.00 H new ATOM 1129 N LYS A 71 15.623 -10.272 -8.398 1.00 0.00 N ATOM 1130 CA LYS A 71 15.040 -11.435 -9.056 1.00 0.00 C ATOM 1131 C LYS A 71 15.363 -12.713 -8.289 1.00 0.00 C ATOM 1132 O LYS A 71 16.433 -12.836 -7.691 1.00 0.00 O ATOM 1133 CB LYS A 71 15.555 -11.546 -10.493 1.00 0.00 C ATOM 1134 CG LYS A 71 15.546 -10.228 -11.246 1.00 0.00 C ATOM 1135 CD LYS A 71 16.945 -9.652 -11.381 1.00 0.00 C ATOM 1136 CE LYS A 71 17.597 -10.072 -12.689 1.00 0.00 C ATOM 1137 NZ LYS A 71 18.869 -9.337 -12.936 1.00 0.00 N ATOM 0 H LYS A 71 16.601 -10.101 -8.633 1.00 0.00 H new ATOM 0 HA LYS A 71 13.958 -11.306 -9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.572 -11.938 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.944 -12.268 -11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 71 15.116 -10.377 -12.236 1.00 0.00 H new ATOM 0 HG3 LYS A 71 14.907 -9.515 -10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.898 -8.564 -11.329 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.559 -9.985 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.795 -11.144 -12.668 1.00 0.00 H new ATOM 0 HE3 LYS A 71 16.907 -9.891 -13.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.282 -9.652 -13.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.677 -8.316 -12.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.537 -9.530 -12.163 1.00 0.00 H new ATOM 1151 N ILE A 72 14.433 -13.662 -8.310 1.00 0.00 N ATOM 1152 CA ILE A 72 14.621 -14.931 -7.618 1.00 0.00 C ATOM 1153 C ILE A 72 14.669 -16.093 -8.604 1.00 0.00 C ATOM 1154 O ILE A 72 14.131 -16.007 -9.707 1.00 0.00 O ATOM 1155 CB ILE A 72 13.499 -15.187 -6.595 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.511 -14.018 -6.587 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.085 -15.402 -5.208 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.417 -14.159 -5.552 1.00 0.00 C ATOM 0 H ILE A 72 13.542 -13.576 -8.799 1.00 0.00 H new ATOM 0 HA ILE A 72 15.573 -14.864 -7.091 1.00 0.00 H new ATOM 0 HB ILE A 72 12.962 -16.090 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.057 -13.093 -6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 72 12.057 -13.930 -7.574 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.279 -15.582 -4.496 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.753 -16.263 -5.225 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.643 -14.515 -4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.754 -13.295 -5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.846 -15.067 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.861 -14.217 -4.558 1.00 0.00 H new ATOM 1170 N MET A 73 15.317 -17.180 -8.198 1.00 0.00 N ATOM 1171 CA MET A 73 15.433 -18.362 -9.046 1.00 0.00 C ATOM 1172 C MET A 73 14.497 -19.467 -8.568 1.00 0.00 C ATOM 1173 O MET A 73 14.327 -19.673 -7.366 1.00 0.00 O ATOM 1174 CB MET A 73 16.876 -18.868 -9.057 1.00 0.00 C ATOM 1175 CG MET A 73 17.693 -18.351 -10.230 1.00 0.00 C ATOM 1176 SD MET A 73 19.239 -19.252 -10.450 1.00 0.00 S ATOM 1177 CE MET A 73 18.763 -20.440 -11.704 1.00 0.00 C ATOM 0 H MET A 73 15.770 -17.267 -7.288 1.00 0.00 H new ATOM 0 HA MET A 73 15.147 -18.081 -10.060 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.363 -18.573 -8.128 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.870 -19.958 -9.081 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.100 -18.426 -11.142 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.911 -17.294 -10.078 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.616 -21.073 -11.948 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.948 -21.058 -11.329 1.00 0.00 H new ATOM 0 HE3 MET A 73 18.435 -19.912 -12.600 1.00 0.00 H new ATOM 1187 N MET A 74 13.892 -20.176 -9.516 1.00 0.00 N ATOM 1188 CA MET A 74 12.974 -21.261 -9.190 1.00 0.00 C ATOM 1189 C MET A 74 13.644 -22.617 -9.388 1.00 0.00 C ATOM 1190 O MET A 74 14.023 -22.975 -10.502 1.00 0.00 O ATOM 1191 CB MET A 74 11.715 -21.170 -10.055 1.00 0.00 C ATOM 1192 CG MET A 74 10.633 -20.284 -9.460 1.00 0.00 C ATOM 1193 SD MET A 74 9.086 -20.363 -10.383 1.00 0.00 S ATOM 1194 CE MET A 74 8.031 -21.204 -9.205 1.00 0.00 C ATOM 0 H MET A 74 14.021 -20.018 -10.515 1.00 0.00 H new ATOM 0 HA MET A 74 12.693 -21.164 -8.141 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.987 -20.787 -11.039 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.312 -22.172 -10.203 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.451 -20.583 -8.428 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.985 -19.253 -9.436 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.015 -20.817 -9.285 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.029 -22.273 -9.417 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.406 -21.035 -8.195 1.00 0.00 H new ATOM 1204 N MET A 75 13.785 -23.367 -8.300 1.00 0.00 N ATOM 1205 CA MET A 75 14.409 -24.684 -8.355 1.00 0.00 C ATOM 1206 C MET A 75 13.386 -25.781 -8.082 1.00 0.00 C ATOM 1207 O MET A 75 12.874 -25.903 -6.969 1.00 0.00 O ATOM 1208 CB MET A 75 15.553 -24.773 -7.343 1.00 0.00 C ATOM 1209 CG MET A 75 16.485 -23.573 -7.372 1.00 0.00 C ATOM 1210 SD MET A 75 18.189 -24.007 -6.974 1.00 0.00 S ATOM 1211 CE MET A 75 18.775 -24.575 -8.569 1.00 0.00 C ATOM 0 H MET A 75 13.476 -23.085 -7.370 1.00 0.00 H new ATOM 0 HA MET A 75 14.810 -24.827 -9.358 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.134 -24.873 -6.342 1.00 0.00 H new ATOM 0 HB3 MET A 75 16.131 -25.676 -7.539 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.452 -23.116 -8.361 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.130 -22.825 -6.663 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.818 -24.880 -8.486 1.00 0.00 H new ATOM 0 HE2 MET A 75 18.174 -25.424 -8.896 1.00 0.00 H new ATOM 0 HE3 MET A 75 18.690 -23.768 -9.297 1.00 0.00 H new ATOM 1221 N GLY A 76 13.091 -26.579 -9.104 1.00 0.00 N ATOM 1222 CA GLY A 76 12.130 -27.655 -8.953 1.00 0.00 C ATOM 1223 C GLY A 76 11.488 -28.048 -10.269 1.00 0.00 C ATOM 1224 O GLY A 76 12.041 -27.795 -11.339 1.00 0.00 O ATOM 0 H GLY A 76 13.501 -26.499 -10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.627 -28.524 -8.521 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.354 -27.349 -8.251 1.00 0.00 H new ATOM 1228 N THR A 77 10.316 -28.671 -10.191 1.00 0.00 N ATOM 1229 CA THR A 77 9.599 -29.102 -11.384 1.00 0.00 C ATOM 1230 C THR A 77 8.125 -28.718 -11.309 1.00 0.00 C ATOM 1231 O THR A 77 7.557 -28.607 -10.223 1.00 0.00 O ATOM 1232 CB THR A 77 9.710 -30.625 -11.587 1.00 0.00 C ATOM 1233 OG1 THR A 77 9.306 -30.973 -12.916 1.00 0.00 O ATOM 1234 CG2 THR A 77 8.850 -31.370 -10.578 1.00 0.00 C ATOM 0 H THR A 77 9.843 -28.888 -9.314 1.00 0.00 H new ATOM 0 HA THR A 77 10.062 -28.595 -12.231 1.00 0.00 H new ATOM 0 HB THR A 77 10.750 -30.914 -11.437 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.381 -31.943 -13.037 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.945 -32.444 -10.741 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.180 -31.126 -9.568 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.808 -31.075 -10.700 1.00 0.00 H new