USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 824 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 56 THR OG1 : rot 154:sc= -1.32 USER MOD Set 1.2: A 59 GLN :FLIP amide:sc= -0.998 F(o=-3.4,f=-2.3) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 86:sc= 0.122 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.271 K(o=-0.27,f=-1.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.025) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -3.31 K(o=-3.3,f=-5.1!) USER MOD Single : A 45 SER OG : rot 91:sc= 0.279 USER MOD Single : A 46 THR OG1 : rot -16:sc= 0.958 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.675 K(o=-0.68,f=-1.6) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.0515 (180deg=-0.372) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.241 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 65:sc= 1.09 USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= -1.53 (180deg=-1.71) USER MOD Single : A 97 ASN : amide:sc= 0.153 K(o=0.15,f=-1.8!) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.2 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.4) USER MOD Single : A 109 MET CE :methyl 173:sc= -0.571 (180deg=-0.6) USER MOD Single : A 110 TYR OH : rot 80:sc= -1.1 USER MOD Single : A 111 SER OG : rot -11:sc= 0.167 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 113 MET CE :methyl -126:sc= -0.0263 (180deg=-2.08!) USER MOD ----------------------------------------------------------------- ATOM 46 N GLY A 6 3.796 3.844 -10.358 1.00 22.11 N ATOM 47 CA GLY A 6 3.101 3.127 -11.410 1.00 42.05 C ATOM 48 C GLY A 6 2.178 4.023 -12.211 1.00 14.12 C ATOM 49 O GLY A 6 2.264 5.249 -12.125 1.00 71.53 O ATOM 0 HA2 GLY A 6 3.831 2.672 -12.079 1.00 42.05 H new ATOM 0 HA3 GLY A 6 2.522 2.315 -10.970 1.00 42.05 H new ATOM 53 N ARG A 7 1.294 3.413 -12.994 1.00 1.12 N ATOM 54 CA ARG A 7 0.354 4.164 -13.816 1.00 54.51 C ATOM 55 C ARG A 7 -0.617 4.956 -12.945 1.00 45.15 C ATOM 56 O ARG A 7 -0.883 6.131 -13.203 1.00 65.35 O ATOM 57 CB ARG A 7 -0.422 3.219 -14.735 1.00 55.50 C ATOM 58 CG ARG A 7 -0.528 3.714 -16.167 1.00 24.33 C ATOM 59 CD ARG A 7 -1.483 2.856 -16.984 1.00 73.01 C ATOM 60 NE ARG A 7 -0.797 2.146 -18.060 1.00 74.41 N ATOM 61 CZ ARG A 7 -1.428 1.497 -19.032 1.00 61.13 C ATOM 62 NH1 ARG A 7 -2.754 1.471 -19.064 1.00 74.43 N ATOM 63 NH2 ARG A 7 -0.734 0.873 -19.975 1.00 3.14 N ATOM 0 H ARG A 7 1.210 2.400 -13.076 1.00 1.12 H new ATOM 0 HA ARG A 7 0.923 4.865 -14.426 1.00 54.51 H new ATOM 0 HB2 ARG A 7 0.063 2.243 -14.732 1.00 55.50 H new ATOM 0 HB3 ARG A 7 -1.425 3.078 -14.333 1.00 55.50 H new ATOM 0 HG2 ARG A 7 -0.872 4.748 -16.171 1.00 24.33 H new ATOM 0 HG3 ARG A 7 0.459 3.705 -16.630 1.00 24.33 H new ATOM 0 HD2 ARG A 7 -1.973 2.136 -16.329 1.00 73.01 H new ATOM 0 HD3 ARG A 7 -2.265 3.486 -17.407 1.00 73.01 H new ATOM 0 HE ARG A 7 0.223 2.149 -18.065 1.00 74.41 H new ATOM 0 HH11 ARG A 7 -3.291 1.950 -18.341 1.00 74.43 H new ATOM 0 HH12 ARG A 7 -3.236 0.972 -19.811 1.00 74.43 H new ATOM 0 HH21 ARG A 7 0.286 0.891 -19.954 1.00 3.14 H new ATOM 0 HH22 ARG A 7 -1.220 0.375 -20.721 1.00 3.14 H new ATOM 77 N ASP A 8 -1.144 4.306 -11.913 1.00 62.31 N ATOM 78 CA ASP A 8 -2.086 4.948 -11.003 1.00 21.14 C ATOM 79 C ASP A 8 -1.475 6.201 -10.385 1.00 35.33 C ATOM 80 O ASP A 8 -2.138 7.231 -10.260 1.00 30.00 O ATOM 81 CB ASP A 8 -2.508 3.975 -9.902 1.00 10.22 C ATOM 82 CG ASP A 8 -3.929 4.215 -9.432 1.00 54.32 C ATOM 83 OD1 ASP A 8 -4.435 3.401 -8.630 1.00 13.14 O ATOM 84 OD2 ASP A 8 -4.536 5.218 -9.863 1.00 34.52 O ATOM 0 H ASP A 8 -0.935 3.334 -11.686 1.00 62.31 H new ATOM 0 HA ASP A 8 -2.966 5.239 -11.576 1.00 21.14 H new ATOM 0 HB2 ASP A 8 -2.418 2.953 -10.270 1.00 10.22 H new ATOM 0 HB3 ASP A 8 -1.827 4.071 -9.056 1.00 10.22 H new ATOM 89 N TRP A 9 -0.207 6.107 -9.999 1.00 62.11 N ATOM 90 CA TRP A 9 0.493 7.233 -9.392 1.00 24.51 C ATOM 91 C TRP A 9 0.580 8.406 -10.362 1.00 54.54 C ATOM 92 O TRP A 9 0.179 9.524 -10.037 1.00 15.02 O ATOM 93 CB TRP A 9 1.897 6.811 -8.957 1.00 15.41 C ATOM 94 CG TRP A 9 2.527 7.761 -7.983 1.00 54.42 C ATOM 95 CD1 TRP A 9 3.756 8.346 -8.085 1.00 25.05 C ATOM 96 CD2 TRP A 9 1.958 8.233 -6.756 1.00 41.33 C ATOM 97 NE1 TRP A 9 3.986 9.154 -6.997 1.00 65.44 N ATOM 98 CE2 TRP A 9 2.897 9.102 -6.167 1.00 30.55 C ATOM 99 CE3 TRP A 9 0.745 8.008 -6.099 1.00 75.23 C ATOM 100 CZ2 TRP A 9 2.660 9.743 -4.955 1.00 33.15 C ATOM 101 CZ3 TRP A 9 0.512 8.644 -4.894 1.00 33.22 C ATOM 102 CH2 TRP A 9 1.466 9.504 -4.333 1.00 50.45 C ATOM 0 H TRP A 9 0.357 5.263 -10.096 1.00 62.11 H new ATOM 0 HA TRP A 9 -0.072 7.551 -8.516 1.00 24.51 H new ATOM 0 HB2 TRP A 9 1.848 5.820 -8.507 1.00 15.41 H new ATOM 0 HB3 TRP A 9 2.534 6.730 -9.838 1.00 15.41 H new ATOM 0 HD1 TRP A 9 4.447 8.196 -8.901 1.00 25.05 H new ATOM 0 HE1 TRP A 9 4.830 9.703 -6.834 1.00 65.44 H new ATOM 0 HE3 TRP A 9 0.003 7.349 -6.525 1.00 75.23 H new ATOM 0 HZ2 TRP A 9 3.393 10.406 -4.521 1.00 33.15 H new ATOM 0 HZ3 TRP A 9 -0.421 8.475 -4.376 1.00 33.22 H new ATOM 0 HH2 TRP A 9 1.254 9.987 -3.391 1.00 50.45 H new ATOM 113 N LYS A 10 1.103 8.145 -11.555 1.00 11.30 N ATOM 114 CA LYS A 10 1.240 9.179 -12.573 1.00 10.43 C ATOM 115 C LYS A 10 -0.109 9.816 -12.888 1.00 44.23 C ATOM 116 O LYS A 10 -0.190 11.005 -13.194 1.00 34.15 O ATOM 117 CB LYS A 10 1.849 8.591 -13.848 1.00 13.43 C ATOM 118 CG LYS A 10 3.328 8.265 -13.722 1.00 44.34 C ATOM 119 CD LYS A 10 4.140 8.921 -14.826 1.00 74.04 C ATOM 120 CE LYS A 10 4.509 10.352 -14.471 1.00 3.40 C ATOM 121 NZ LYS A 10 5.905 10.457 -13.965 1.00 73.44 N ATOM 0 H LYS A 10 1.439 7.225 -11.841 1.00 11.30 H new ATOM 0 HA LYS A 10 1.903 9.951 -12.183 1.00 10.43 H new ATOM 0 HB2 LYS A 10 1.307 7.684 -14.114 1.00 13.43 H new ATOM 0 HB3 LYS A 10 1.710 9.297 -14.666 1.00 13.43 H new ATOM 0 HG2 LYS A 10 3.694 8.600 -12.752 1.00 44.34 H new ATOM 0 HG3 LYS A 10 3.468 7.185 -13.759 1.00 44.34 H new ATOM 0 HD2 LYS A 10 5.047 8.344 -15.004 1.00 74.04 H new ATOM 0 HD3 LYS A 10 3.569 8.911 -15.754 1.00 74.04 H new ATOM 0 HE2 LYS A 10 4.393 10.985 -15.350 1.00 3.40 H new ATOM 0 HE3 LYS A 10 3.820 10.728 -13.715 1.00 3.40 H new ATOM 0 HZ1 LYS A 10 6.117 11.449 -13.734 1.00 73.44 H new ATOM 0 HZ2 LYS A 10 6.010 9.873 -13.111 1.00 73.44 H new ATOM 0 HZ3 LYS A 10 6.565 10.123 -14.696 1.00 73.44 H new ATOM 135 N MET A 11 -1.168 9.016 -12.811 1.00 13.11 N ATOM 136 CA MET A 11 -2.515 9.503 -13.085 1.00 60.54 C ATOM 137 C MET A 11 -2.955 10.510 -12.027 1.00 22.41 C ATOM 138 O MET A 11 -3.584 11.520 -12.343 1.00 70.21 O ATOM 139 CB MET A 11 -3.502 8.334 -13.136 1.00 14.51 C ATOM 140 CG MET A 11 -3.521 7.613 -14.474 1.00 4.31 C ATOM 141 SD MET A 11 -4.927 6.496 -14.640 1.00 42.41 S ATOM 142 CE MET A 11 -4.726 5.950 -16.334 1.00 23.33 C ATOM 0 H MET A 11 -1.119 8.028 -12.561 1.00 13.11 H new ATOM 0 HA MET A 11 -2.504 10.003 -14.054 1.00 60.54 H new ATOM 0 HB2 MET A 11 -3.249 7.621 -12.352 1.00 14.51 H new ATOM 0 HB3 MET A 11 -4.504 8.705 -12.918 1.00 14.51 H new ATOM 0 HG2 MET A 11 -3.549 8.348 -15.278 1.00 4.31 H new ATOM 0 HG3 MET A 11 -2.597 7.047 -14.591 1.00 4.31 H new ATOM 0 HE1 MET A 11 -5.523 5.251 -16.588 1.00 23.33 H new ATOM 0 HE2 MET A 11 -4.772 6.811 -17.001 1.00 23.33 H new ATOM 0 HE3 MET A 11 -3.761 5.456 -16.445 1.00 23.33 H new ATOM 152 N ALA A 12 -2.621 10.228 -10.772 1.00 63.43 N ATOM 153 CA ALA A 12 -2.981 11.110 -9.670 1.00 70.11 C ATOM 154 C ALA A 12 -2.289 12.463 -9.801 1.00 71.33 C ATOM 155 O ALA A 12 -2.922 13.509 -9.660 1.00 2.43 O ATOM 156 CB ALA A 12 -2.629 10.462 -8.339 1.00 11.21 C ATOM 0 H ALA A 12 -2.102 9.395 -10.494 1.00 63.43 H new ATOM 0 HA ALA A 12 -4.058 11.277 -9.707 1.00 70.11 H new ATOM 0 HB1 ALA A 12 -2.903 11.132 -7.524 1.00 11.21 H new ATOM 0 HB2 ALA A 12 -3.174 9.523 -8.236 1.00 11.21 H new ATOM 0 HB3 ALA A 12 -1.557 10.266 -8.302 1.00 11.21 H new ATOM 162 N ILE A 13 -0.988 12.433 -10.070 1.00 51.13 N ATOM 163 CA ILE A 13 -0.212 13.658 -10.220 1.00 21.10 C ATOM 164 C ILE A 13 -0.583 14.389 -11.505 1.00 3.50 C ATOM 165 O ILE A 13 -0.751 15.610 -11.512 1.00 31.12 O ATOM 166 CB ILE A 13 1.300 13.368 -10.227 1.00 75.01 C ATOM 167 CG1 ILE A 13 1.713 12.669 -8.929 1.00 72.11 C ATOM 168 CG2 ILE A 13 2.087 14.657 -10.413 1.00 44.41 C ATOM 169 CD1 ILE A 13 1.528 13.525 -7.696 1.00 11.32 C ATOM 0 H ILE A 13 -0.450 11.575 -10.188 1.00 51.13 H new ATOM 0 HA ILE A 13 -0.449 14.289 -9.364 1.00 21.10 H new ATOM 0 HB ILE A 13 1.523 12.705 -11.063 1.00 75.01 H new ATOM 0 HG12 ILE A 13 1.130 11.755 -8.817 1.00 72.11 H new ATOM 0 HG13 ILE A 13 2.760 12.373 -9.002 1.00 72.11 H new ATOM 0 HG21 ILE A 13 3.154 14.435 -10.416 1.00 44.41 H new ATOM 0 HG22 ILE A 13 1.810 15.119 -11.361 1.00 44.41 H new ATOM 0 HG23 ILE A 13 1.861 15.342 -9.596 1.00 44.41 H new ATOM 0 HD11 ILE A 13 1.841 12.965 -6.814 1.00 11.32 H new ATOM 0 HD12 ILE A 13 2.132 14.428 -7.786 1.00 11.32 H new ATOM 0 HD13 ILE A 13 0.478 13.799 -7.598 1.00 11.32 H new ATOM 181 N LYS A 14 -0.712 13.637 -12.593 1.00 33.04 N ATOM 182 CA LYS A 14 -1.066 14.212 -13.885 1.00 1.44 C ATOM 183 C LYS A 14 -2.457 14.838 -13.838 1.00 32.24 C ATOM 184 O LYS A 14 -2.660 15.956 -14.311 1.00 30.14 O ATOM 185 CB LYS A 14 -1.015 13.140 -14.975 1.00 71.12 C ATOM 186 CG LYS A 14 -1.523 13.618 -16.324 1.00 12.24 C ATOM 187 CD LYS A 14 -0.536 13.304 -17.436 1.00 55.11 C ATOM 188 CE LYS A 14 -0.672 11.866 -17.911 1.00 73.42 C ATOM 189 NZ LYS A 14 -1.627 11.745 -19.046 1.00 62.40 N ATOM 0 H LYS A 14 -0.576 12.626 -12.605 1.00 33.04 H new ATOM 0 HA LYS A 14 -0.342 14.993 -14.118 1.00 1.44 H new ATOM 0 HB2 LYS A 14 0.013 12.795 -15.085 1.00 71.12 H new ATOM 0 HB3 LYS A 14 -1.607 12.282 -14.657 1.00 71.12 H new ATOM 0 HG2 LYS A 14 -2.480 13.144 -16.542 1.00 12.24 H new ATOM 0 HG3 LYS A 14 -1.700 14.693 -16.287 1.00 12.24 H new ATOM 0 HD2 LYS A 14 -0.701 13.982 -18.273 1.00 55.11 H new ATOM 0 HD3 LYS A 14 0.480 13.477 -17.082 1.00 55.11 H new ATOM 0 HE2 LYS A 14 0.305 11.491 -18.217 1.00 73.42 H new ATOM 0 HE3 LYS A 14 -1.009 11.241 -17.084 1.00 73.42 H new ATOM 0 HZ1 LYS A 14 -1.692 10.750 -19.341 1.00 62.40 H new ATOM 0 HZ2 LYS A 14 -2.565 12.079 -18.747 1.00 62.40 H new ATOM 0 HZ3 LYS A 14 -1.292 12.321 -19.844 1.00 62.40 H new ATOM 203 N ARG A 15 -3.409 14.112 -13.264 1.00 74.43 N ATOM 204 CA ARG A 15 -4.780 14.596 -13.156 1.00 30.04 C ATOM 205 C ARG A 15 -4.832 15.911 -12.384 1.00 12.40 C ATOM 206 O ARG A 15 -5.446 16.881 -12.830 1.00 73.32 O ATOM 207 CB ARG A 15 -5.660 13.552 -12.466 1.00 53.23 C ATOM 208 CG ARG A 15 -6.126 12.440 -13.392 1.00 0.31 C ATOM 209 CD ARG A 15 -7.194 12.930 -14.357 1.00 42.12 C ATOM 210 NE ARG A 15 -8.179 11.894 -14.655 1.00 14.43 N ATOM 211 CZ ARG A 15 -8.978 11.923 -15.715 1.00 22.34 C ATOM 212 NH1 ARG A 15 -8.907 12.930 -16.575 1.00 45.04 N ATOM 213 NH2 ARG A 15 -9.849 10.943 -15.918 1.00 12.23 N ATOM 0 H ARG A 15 -3.257 13.185 -12.866 1.00 74.43 H new ATOM 0 HA ARG A 15 -5.158 14.770 -14.164 1.00 30.04 H new ATOM 0 HB2 ARG A 15 -5.106 13.114 -11.636 1.00 53.23 H new ATOM 0 HB3 ARG A 15 -6.532 14.048 -12.040 1.00 53.23 H new ATOM 0 HG2 ARG A 15 -5.276 12.053 -13.954 1.00 0.31 H new ATOM 0 HG3 ARG A 15 -6.520 11.614 -12.801 1.00 0.31 H new ATOM 0 HD2 ARG A 15 -7.698 13.797 -13.930 1.00 42.12 H new ATOM 0 HD3 ARG A 15 -6.722 13.259 -15.283 1.00 42.12 H new ATOM 0 HE ARG A 15 -8.258 11.105 -14.014 1.00 14.43 H new ATOM 0 HH11 ARG A 15 -8.238 13.684 -16.423 1.00 45.04 H new ATOM 0 HH12 ARG A 15 -9.522 12.950 -17.389 1.00 45.04 H new ATOM 0 HH21 ARG A 15 -9.905 10.166 -15.259 1.00 12.23 H new ATOM 0 HH22 ARG A 15 -10.462 10.966 -16.733 1.00 12.23 H new ATOM 227 N CYS A 16 -4.184 15.937 -11.224 1.00 64.43 N ATOM 228 CA CYS A 16 -4.158 17.132 -10.388 1.00 63.14 C ATOM 229 C CYS A 16 -3.435 18.273 -11.096 1.00 31.20 C ATOM 230 O CYS A 16 -3.699 19.447 -10.832 1.00 71.51 O ATOM 231 CB CYS A 16 -3.477 16.831 -9.052 1.00 64.03 C ATOM 232 SG CYS A 16 -4.400 15.691 -7.994 1.00 14.33 S ATOM 0 H CYS A 16 -3.670 15.144 -10.841 1.00 64.43 H new ATOM 0 HA CYS A 16 -5.187 17.438 -10.201 1.00 63.14 H new ATOM 0 HB2 CYS A 16 -2.490 16.411 -9.246 1.00 64.03 H new ATOM 0 HB3 CYS A 16 -3.326 17.767 -8.514 1.00 64.03 H new ATOM 0 HG CYS A 16 -4.094 14.466 -8.305 1.00 14.33 H new ATOM 238 N SER A 17 -2.521 17.922 -11.995 1.00 73.34 N ATOM 239 CA SER A 17 -1.754 18.916 -12.736 1.00 50.55 C ATOM 240 C SER A 17 -2.683 19.880 -13.470 1.00 71.21 C ATOM 241 O SER A 17 -2.316 21.020 -13.749 1.00 3.13 O ATOM 242 CB SER A 17 -0.820 18.231 -13.734 1.00 64.21 C ATOM 243 OG SER A 17 0.345 19.006 -13.957 1.00 12.15 O ATOM 0 H SER A 17 -2.294 16.955 -12.228 1.00 73.34 H new ATOM 0 HA SER A 17 -1.157 19.484 -12.023 1.00 50.55 H new ATOM 0 HB2 SER A 17 -0.540 17.247 -13.358 1.00 64.21 H new ATOM 0 HB3 SER A 17 -1.343 18.075 -14.678 1.00 64.21 H new ATOM 0 HG SER A 17 0.927 18.546 -14.598 1.00 12.15 H new ATOM 249 N ASN A 18 -3.888 19.411 -13.779 1.00 74.00 N ATOM 250 CA ASN A 18 -4.870 20.229 -14.481 1.00 13.33 C ATOM 251 C ASN A 18 -5.830 20.890 -13.497 1.00 15.24 C ATOM 252 O ASN A 18 -6.976 21.188 -13.835 1.00 22.12 O ATOM 253 CB ASN A 18 -5.653 19.378 -15.481 1.00 62.13 C ATOM 254 CG ASN A 18 -6.398 20.219 -16.498 1.00 2.52 C ATOM 255 OD1 ASN A 18 -6.083 21.393 -16.700 1.00 64.45 O ATOM 256 ND2 ASN A 18 -7.394 19.623 -17.144 1.00 0.32 N ATOM 0 H ASN A 18 -4.208 18.469 -13.554 1.00 74.00 H new ATOM 0 HA ASN A 18 -4.335 21.011 -15.021 1.00 13.33 H new ATOM 0 HB2 ASN A 18 -4.967 18.709 -16.000 1.00 62.13 H new ATOM 0 HB3 ASN A 18 -6.363 18.751 -14.942 1.00 62.13 H new ATOM 0 HD21 ASN A 18 -7.933 20.140 -17.839 1.00 0.32 H new ATOM 0 HD22 ASN A 18 -7.620 18.649 -16.945 1.00 0.32 H new ATOM 263 N VAL A 19 -5.354 21.119 -12.277 1.00 74.25 N ATOM 264 CA VAL A 19 -6.170 21.746 -11.244 1.00 35.01 C ATOM 265 C VAL A 19 -5.544 23.051 -10.766 1.00 11.04 C ATOM 266 O VAL A 19 -4.428 23.063 -10.245 1.00 72.14 O ATOM 267 CB VAL A 19 -6.362 20.810 -10.035 1.00 41.15 C ATOM 268 CG1 VAL A 19 -7.361 21.404 -9.053 1.00 11.54 C ATOM 269 CG2 VAL A 19 -6.811 19.432 -10.496 1.00 15.00 C ATOM 0 H VAL A 19 -4.408 20.880 -11.980 1.00 74.25 H new ATOM 0 HA VAL A 19 -7.142 21.954 -11.692 1.00 35.01 H new ATOM 0 HB VAL A 19 -5.405 20.704 -9.523 1.00 41.15 H new ATOM 0 HG11 VAL A 19 -7.484 20.729 -8.206 1.00 11.54 H new ATOM 0 HG12 VAL A 19 -6.994 22.368 -8.699 1.00 11.54 H new ATOM 0 HG13 VAL A 19 -8.322 21.541 -9.550 1.00 11.54 H new ATOM 0 HG21 VAL A 19 -6.942 18.783 -9.630 1.00 15.00 H new ATOM 0 HG22 VAL A 19 -7.757 19.518 -11.031 1.00 15.00 H new ATOM 0 HG23 VAL A 19 -6.057 19.006 -11.158 1.00 15.00 H new ATOM 279 N ALA A 20 -6.269 24.150 -10.948 1.00 22.33 N ATOM 280 CA ALA A 20 -5.785 25.462 -10.534 1.00 52.32 C ATOM 281 C ALA A 20 -5.571 25.517 -9.025 1.00 74.24 C ATOM 282 O ALA A 20 -6.528 25.554 -8.253 1.00 50.54 O ATOM 283 CB ALA A 20 -6.760 26.545 -10.970 1.00 13.44 C ATOM 0 H ALA A 20 -7.193 24.158 -11.379 1.00 22.33 H new ATOM 0 HA ALA A 20 -4.824 25.637 -11.018 1.00 52.32 H new ATOM 0 HB1 ALA A 20 -6.387 27.519 -10.655 1.00 13.44 H new ATOM 0 HB2 ALA A 20 -6.860 26.529 -12.055 1.00 13.44 H new ATOM 0 HB3 ALA A 20 -7.733 26.364 -10.513 1.00 13.44 H new ATOM 289 N VAL A 21 -4.307 25.520 -8.611 1.00 50.14 N ATOM 290 CA VAL A 21 -3.968 25.570 -7.194 1.00 11.25 C ATOM 291 C VAL A 21 -4.591 26.789 -6.522 1.00 43.00 C ATOM 292 O VAL A 21 -4.828 26.792 -5.315 1.00 61.11 O ATOM 293 CB VAL A 21 -2.442 25.607 -6.984 1.00 50.44 C ATOM 294 CG1 VAL A 21 -2.103 25.451 -5.509 1.00 53.03 C ATOM 295 CG2 VAL A 21 -1.765 24.526 -7.812 1.00 1.15 C ATOM 0 H VAL A 21 -3.502 25.488 -9.237 1.00 50.14 H new ATOM 0 HA VAL A 21 -4.369 24.664 -6.740 1.00 11.25 H new ATOM 0 HB VAL A 21 -2.069 26.575 -7.318 1.00 50.44 H new ATOM 0 HG11 VAL A 21 -1.021 25.479 -5.379 1.00 53.03 H new ATOM 0 HG12 VAL A 21 -2.558 26.264 -4.943 1.00 53.03 H new ATOM 0 HG13 VAL A 21 -2.487 24.498 -5.146 1.00 53.03 H new ATOM 0 HG21 VAL A 21 -0.688 24.566 -7.652 1.00 1.15 H new ATOM 0 HG22 VAL A 21 -2.140 23.548 -7.510 1.00 1.15 H new ATOM 0 HG23 VAL A 21 -1.981 24.688 -8.868 1.00 1.15 H new ATOM 375 N LYS A 28 -1.367 29.077 -12.086 1.00 62.34 N ATOM 376 CA LYS A 28 -1.000 28.255 -10.939 1.00 45.21 C ATOM 377 C LYS A 28 -1.636 26.872 -11.035 1.00 43.44 C ATOM 378 O LYS A 28 -2.797 26.683 -10.669 1.00 31.41 O ATOM 379 CB LYS A 28 -1.433 28.936 -9.639 1.00 14.42 C ATOM 380 CG LYS A 28 -0.456 28.734 -8.492 1.00 42.33 C ATOM 381 CD LYS A 28 0.478 29.922 -8.339 1.00 34.12 C ATOM 382 CE LYS A 28 1.889 29.479 -7.986 1.00 14.22 C ATOM 383 NZ LYS A 28 2.919 30.333 -8.641 1.00 21.21 N ATOM 0 HA LYS A 28 0.084 28.139 -10.939 1.00 45.21 H new ATOM 0 HB2 LYS A 28 -1.552 30.004 -9.820 1.00 14.42 H new ATOM 0 HB3 LYS A 28 -2.410 28.552 -9.345 1.00 14.42 H new ATOM 0 HG2 LYS A 28 -1.009 28.583 -7.565 1.00 42.33 H new ATOM 0 HG3 LYS A 28 0.129 27.831 -8.666 1.00 42.33 H new ATOM 0 HD2 LYS A 28 0.496 30.494 -9.267 1.00 34.12 H new ATOM 0 HD3 LYS A 28 0.099 30.587 -7.563 1.00 34.12 H new ATOM 0 HE2 LYS A 28 2.021 29.515 -6.905 1.00 14.22 H new ATOM 0 HE3 LYS A 28 2.031 28.442 -8.290 1.00 14.22 H new ATOM 0 HZ1 LYS A 28 3.867 29.999 -8.375 1.00 21.21 H new ATOM 0 HZ2 LYS A 28 2.809 30.279 -9.674 1.00 21.21 H new ATOM 0 HZ3 LYS A 28 2.800 31.319 -8.332 1.00 21.21 H new ATOM 397 N LYS A 29 -0.868 25.907 -11.528 1.00 61.33 N ATOM 398 CA LYS A 29 -1.354 24.538 -11.671 1.00 11.45 C ATOM 399 C LYS A 29 -0.661 23.609 -10.680 1.00 33.22 C ATOM 400 O LYS A 29 0.509 23.800 -10.349 1.00 33.14 O ATOM 401 CB LYS A 29 -1.126 24.041 -13.099 1.00 34.31 C ATOM 402 CG LYS A 29 0.257 24.360 -13.641 1.00 62.12 C ATOM 403 CD LYS A 29 0.545 23.592 -14.920 1.00 11.11 C ATOM 404 CE LYS A 29 2.037 23.538 -15.214 1.00 0.24 C ATOM 405 NZ LYS A 29 2.455 22.203 -15.722 1.00 71.23 N ATOM 0 H LYS A 29 0.094 26.047 -11.836 1.00 61.33 H new ATOM 0 HA LYS A 29 -2.423 24.534 -11.459 1.00 11.45 H new ATOM 0 HB2 LYS A 29 -1.278 22.962 -13.128 1.00 34.31 H new ATOM 0 HB3 LYS A 29 -1.875 24.486 -13.754 1.00 34.31 H new ATOM 0 HG2 LYS A 29 0.336 25.430 -13.832 1.00 62.12 H new ATOM 0 HG3 LYS A 29 1.009 24.114 -12.891 1.00 62.12 H new ATOM 0 HD2 LYS A 29 0.153 22.579 -14.833 1.00 11.11 H new ATOM 0 HD3 LYS A 29 0.026 24.064 -15.754 1.00 11.11 H new ATOM 0 HE2 LYS A 29 2.290 24.302 -15.950 1.00 0.24 H new ATOM 0 HE3 LYS A 29 2.594 23.772 -14.307 1.00 0.24 H new ATOM 0 HZ1 LYS A 29 3.478 22.208 -15.910 1.00 71.23 H new ATOM 0 HZ2 LYS A 29 2.237 21.477 -15.010 1.00 71.23 H new ATOM 0 HZ3 LYS A 29 1.942 21.990 -16.601 1.00 71.23 H new ATOM 419 N PHE A 30 -1.390 22.602 -10.211 1.00 34.03 N ATOM 420 CA PHE A 30 -0.844 21.642 -9.258 1.00 41.45 C ATOM 421 C PHE A 30 0.377 20.935 -9.837 1.00 61.45 C ATOM 422 O PHE A 30 0.483 20.749 -11.049 1.00 75.14 O ATOM 423 CB PHE A 30 -1.909 20.613 -8.872 1.00 52.04 C ATOM 424 CG PHE A 30 -2.041 20.414 -7.389 1.00 1.31 C ATOM 425 CD1 PHE A 30 -2.705 21.345 -6.609 1.00 51.44 C ATOM 426 CD2 PHE A 30 -1.499 19.296 -6.776 1.00 64.32 C ATOM 427 CE1 PHE A 30 -2.829 21.166 -5.243 1.00 70.24 C ATOM 428 CE2 PHE A 30 -1.620 19.110 -5.412 1.00 42.13 C ATOM 429 CZ PHE A 30 -2.284 20.046 -4.644 1.00 45.21 C ATOM 0 H PHE A 30 -2.360 22.429 -10.475 1.00 34.03 H new ATOM 0 HA PHE A 30 -0.536 22.188 -8.366 1.00 41.45 H new ATOM 0 HB2 PHE A 30 -2.871 20.929 -9.275 1.00 52.04 H new ATOM 0 HB3 PHE A 30 -1.666 19.658 -9.338 1.00 52.04 H new ATOM 0 HD1 PHE A 30 -3.132 22.222 -7.073 1.00 51.44 H new ATOM 0 HD2 PHE A 30 -0.976 18.562 -7.371 1.00 64.32 H new ATOM 0 HE1 PHE A 30 -3.350 21.900 -4.646 1.00 70.24 H new ATOM 0 HE2 PHE A 30 -1.195 18.233 -4.947 1.00 42.13 H new ATOM 0 HZ PHE A 30 -2.377 19.903 -3.578 1.00 45.21 H new ATOM 439 N GLY A 31 1.298 20.544 -8.962 1.00 54.21 N ATOM 440 CA GLY A 31 2.500 19.862 -9.405 1.00 55.03 C ATOM 441 C GLY A 31 2.945 18.783 -8.437 1.00 50.04 C ATOM 442 O GLY A 31 2.439 18.698 -7.318 1.00 63.44 O ATOM 0 H GLY A 31 1.233 20.687 -7.954 1.00 54.21 H new ATOM 0 HA2 GLY A 31 2.321 19.417 -10.384 1.00 55.03 H new ATOM 0 HA3 GLY A 31 3.303 20.589 -9.527 1.00 55.03 H new ATOM 446 N GLU A 32 3.893 17.956 -8.869 1.00 41.32 N ATOM 447 CA GLU A 32 4.402 16.876 -8.032 1.00 24.52 C ATOM 448 C GLU A 32 5.103 17.430 -6.795 1.00 20.21 C ATOM 449 O GLU A 32 4.907 16.938 -5.685 1.00 4.41 O ATOM 450 CB GLU A 32 5.368 15.997 -8.830 1.00 15.01 C ATOM 451 CG GLU A 32 6.521 16.768 -9.451 1.00 43.50 C ATOM 452 CD GLU A 32 7.781 16.711 -8.611 1.00 25.32 C ATOM 453 OE1 GLU A 32 8.179 15.596 -8.213 1.00 25.20 O ATOM 454 OE2 GLU A 32 8.371 17.781 -8.353 1.00 75.24 O ATOM 0 H GLU A 32 4.323 18.014 -9.792 1.00 41.32 H new ATOM 0 HA GLU A 32 3.555 16.271 -7.707 1.00 24.52 H new ATOM 0 HB2 GLU A 32 5.770 15.225 -8.174 1.00 15.01 H new ATOM 0 HB3 GLU A 32 4.815 15.488 -9.620 1.00 15.01 H new ATOM 0 HG2 GLU A 32 6.731 16.365 -10.442 1.00 43.50 H new ATOM 0 HG3 GLU A 32 6.226 17.809 -9.586 1.00 43.50 H new ATOM 461 N GLY A 33 5.922 18.457 -6.997 1.00 14.24 N ATOM 462 CA GLY A 33 6.642 19.061 -5.890 1.00 64.33 C ATOM 463 C GLY A 33 5.713 19.592 -4.816 1.00 21.40 C ATOM 464 O GLY A 33 5.926 19.351 -3.629 1.00 11.12 O ATOM 0 H GLY A 33 6.100 18.882 -7.907 1.00 14.24 H new ATOM 0 HA2 GLY A 33 7.315 18.323 -5.452 1.00 64.33 H new ATOM 0 HA3 GLY A 33 7.262 19.875 -6.265 1.00 64.33 H new ATOM 468 N ASN A 34 4.681 20.316 -5.234 1.00 42.13 N ATOM 469 CA ASN A 34 3.717 20.884 -4.298 1.00 43.51 C ATOM 470 C ASN A 34 2.986 19.783 -3.535 1.00 44.41 C ATOM 471 O ASN A 34 2.768 19.890 -2.328 1.00 41.22 O ATOM 472 CB ASN A 34 2.707 21.761 -5.042 1.00 24.23 C ATOM 473 CG ASN A 34 3.379 22.812 -5.905 1.00 61.31 C ATOM 474 OD1 ASN A 34 3.650 23.923 -5.450 1.00 23.24 O ATOM 475 ND2 ASN A 34 3.652 22.463 -7.157 1.00 33.53 N ATOM 0 H ASN A 34 4.490 20.524 -6.214 1.00 42.13 H new ATOM 0 HA ASN A 34 4.263 21.498 -3.581 1.00 43.51 H new ATOM 0 HB2 ASN A 34 2.075 21.131 -5.668 1.00 24.23 H new ATOM 0 HB3 ASN A 34 2.054 22.251 -4.320 1.00 24.23 H new ATOM 0 HD21 ASN A 34 4.105 23.128 -7.785 1.00 33.53 H new ATOM 0 HD22 ASN A 34 3.409 21.530 -7.491 1.00 33.53 H new ATOM 482 N PHE A 35 2.611 18.727 -4.247 1.00 72.15 N ATOM 483 CA PHE A 35 1.904 17.605 -3.638 1.00 13.44 C ATOM 484 C PHE A 35 2.710 17.018 -2.484 1.00 72.55 C ATOM 485 O PHE A 35 2.159 16.684 -1.433 1.00 4.05 O ATOM 486 CB PHE A 35 1.623 16.523 -4.683 1.00 53.31 C ATOM 487 CG PHE A 35 1.090 15.248 -4.095 1.00 63.13 C ATOM 488 CD1 PHE A 35 -0.140 15.224 -3.457 1.00 30.00 C ATOM 489 CD2 PHE A 35 1.819 14.073 -4.181 1.00 34.22 C ATOM 490 CE1 PHE A 35 -0.633 14.051 -2.916 1.00 4.12 C ATOM 491 CE2 PHE A 35 1.331 12.897 -3.642 1.00 2.30 C ATOM 492 CZ PHE A 35 0.103 12.887 -3.009 1.00 75.32 C ATOM 0 H PHE A 35 2.784 18.623 -5.247 1.00 72.15 H new ATOM 0 HA PHE A 35 0.956 17.974 -3.246 1.00 13.44 H new ATOM 0 HB2 PHE A 35 0.906 16.907 -5.409 1.00 53.31 H new ATOM 0 HB3 PHE A 35 2.542 16.307 -5.227 1.00 53.31 H new ATOM 0 HD1 PHE A 35 -0.720 16.132 -3.382 1.00 30.00 H new ATOM 0 HD2 PHE A 35 2.780 14.076 -4.675 1.00 34.22 H new ATOM 0 HE1 PHE A 35 -1.593 14.046 -2.421 1.00 4.12 H new ATOM 0 HE2 PHE A 35 1.909 11.988 -3.716 1.00 2.30 H new ATOM 0 HZ PHE A 35 -0.281 11.970 -2.587 1.00 75.32 H new ATOM 502 N ARG A 36 4.018 16.892 -2.686 1.00 4.14 N ATOM 503 CA ARG A 36 4.900 16.342 -1.664 1.00 52.22 C ATOM 504 C ARG A 36 4.925 17.238 -0.429 1.00 73.21 C ATOM 505 O ARG A 36 4.667 16.783 0.685 1.00 54.21 O ATOM 506 CB ARG A 36 6.317 16.178 -2.218 1.00 14.41 C ATOM 507 CG ARG A 36 6.362 15.552 -3.602 1.00 41.54 C ATOM 508 CD ARG A 36 7.309 14.364 -3.645 1.00 22.41 C ATOM 509 NE ARG A 36 7.715 14.037 -5.010 1.00 0.23 N ATOM 510 CZ ARG A 36 8.446 12.974 -5.325 1.00 54.42 C ATOM 511 NH1 ARG A 36 8.849 12.139 -4.377 1.00 43.12 N ATOM 512 NH2 ARG A 36 8.775 12.744 -6.590 1.00 41.31 N ATOM 0 H ARG A 36 4.490 17.164 -3.548 1.00 4.14 H new ATOM 0 HA ARG A 36 4.515 15.364 -1.374 1.00 52.22 H new ATOM 0 HB2 ARG A 36 6.799 17.155 -2.255 1.00 14.41 H new ATOM 0 HB3 ARG A 36 6.897 15.562 -1.531 1.00 14.41 H new ATOM 0 HG2 ARG A 36 5.361 15.231 -3.890 1.00 41.54 H new ATOM 0 HG3 ARG A 36 6.680 16.298 -4.330 1.00 41.54 H new ATOM 0 HD2 ARG A 36 8.193 14.583 -3.046 1.00 22.41 H new ATOM 0 HD3 ARG A 36 6.825 13.498 -3.193 1.00 22.41 H new ATOM 0 HE ARG A 36 7.421 14.660 -5.762 1.00 0.23 H new ATOM 0 HH11 ARG A 36 8.598 12.313 -3.404 1.00 43.12 H new ATOM 0 HH12 ARG A 36 9.410 11.323 -4.621 1.00 43.12 H new ATOM 0 HH21 ARG A 36 8.466 13.384 -7.322 1.00 41.31 H new ATOM 0 HH22 ARG A 36 9.337 11.927 -6.830 1.00 41.31 H new ATOM 526 N TRP A 37 5.239 18.512 -0.636 1.00 52.43 N ATOM 527 CA TRP A 37 5.298 19.472 0.462 1.00 22.31 C ATOM 528 C TRP A 37 4.016 19.437 1.285 1.00 42.51 C ATOM 529 O TRP A 37 4.036 19.674 2.493 1.00 1.34 O ATOM 530 CB TRP A 37 5.534 20.882 -0.079 1.00 21.35 C ATOM 531 CG TRP A 37 5.272 21.957 0.930 1.00 15.33 C ATOM 532 CD1 TRP A 37 6.199 22.613 1.690 1.00 51.11 C ATOM 533 CD2 TRP A 37 3.998 22.501 1.292 1.00 51.13 C ATOM 534 NE1 TRP A 37 5.577 23.531 2.502 1.00 4.11 N ATOM 535 CE2 TRP A 37 4.227 23.483 2.276 1.00 72.51 C ATOM 536 CE3 TRP A 37 2.685 22.257 0.879 1.00 70.54 C ATOM 537 CZ2 TRP A 37 3.192 24.214 2.852 1.00 13.53 C ATOM 538 CZ3 TRP A 37 1.660 22.984 1.452 1.00 44.24 C ATOM 539 CH2 TRP A 37 1.918 23.954 2.429 1.00 62.01 C ATOM 0 H TRP A 37 5.456 18.904 -1.552 1.00 52.43 H new ATOM 0 HA TRP A 37 6.130 19.195 1.110 1.00 22.31 H new ATOM 0 HB2 TRP A 37 6.564 20.963 -0.426 1.00 21.35 H new ATOM 0 HB3 TRP A 37 4.893 21.043 -0.945 1.00 21.35 H new ATOM 0 HD1 TRP A 37 7.264 22.436 1.657 1.00 51.11 H new ATOM 0 HE1 TRP A 37 6.045 24.148 3.166 1.00 4.11 H new ATOM 0 HE3 TRP A 37 2.476 21.513 0.125 1.00 70.54 H new ATOM 0 HZ2 TRP A 37 3.388 24.961 3.607 1.00 13.53 H new ATOM 0 HZ3 TRP A 37 0.642 22.801 1.141 1.00 44.24 H new ATOM 0 HH2 TRP A 37 1.095 24.507 2.856 1.00 62.01 H new ATOM 550 N ALA A 38 2.902 19.141 0.625 1.00 44.12 N ATOM 551 CA ALA A 38 1.610 19.075 1.297 1.00 70.54 C ATOM 552 C ALA A 38 1.419 17.727 1.986 1.00 10.31 C ATOM 553 O ALA A 38 1.338 17.653 3.212 1.00 74.10 O ATOM 554 CB ALA A 38 0.484 19.325 0.304 1.00 2.12 C ATOM 0 H ALA A 38 2.868 18.943 -0.375 1.00 44.12 H new ATOM 0 HA ALA A 38 1.585 19.852 2.061 1.00 70.54 H new ATOM 0 HB1 ALA A 38 -0.475 19.273 0.820 1.00 2.12 H new ATOM 0 HB2 ALA A 38 0.603 20.313 -0.140 1.00 2.12 H new ATOM 0 HB3 ALA A 38 0.516 18.568 -0.480 1.00 2.12 H new ATOM 560 N ILE A 39 1.346 16.666 1.190 1.00 62.32 N ATOM 561 CA ILE A 39 1.165 15.322 1.724 1.00 21.02 C ATOM 562 C ILE A 39 2.156 15.038 2.848 1.00 1.55 C ATOM 563 O ILE A 39 1.849 14.309 3.791 1.00 42.35 O ATOM 564 CB ILE A 39 1.330 14.252 0.628 1.00 12.43 C ATOM 565 CG1 ILE A 39 0.905 12.881 1.155 1.00 31.32 C ATOM 566 CG2 ILE A 39 2.770 14.215 0.138 1.00 12.22 C ATOM 567 CD1 ILE A 39 0.835 11.817 0.082 1.00 45.33 C ATOM 0 H ILE A 39 1.409 16.711 0.173 1.00 62.32 H new ATOM 0 HA ILE A 39 0.149 15.274 2.117 1.00 21.02 H new ATOM 0 HB ILE A 39 0.687 14.511 -0.213 1.00 12.43 H new ATOM 0 HG12 ILE A 39 1.607 12.563 1.925 1.00 31.32 H new ATOM 0 HG13 ILE A 39 -0.071 12.970 1.631 1.00 31.32 H new ATOM 0 HG21 ILE A 39 2.871 13.454 -0.636 1.00 12.22 H new ATOM 0 HG22 ILE A 39 3.040 15.188 -0.272 1.00 12.22 H new ATOM 0 HG23 ILE A 39 3.432 13.976 0.971 1.00 12.22 H new ATOM 0 HD11 ILE A 39 0.527 10.871 0.527 1.00 45.33 H new ATOM 0 HD12 ILE A 39 0.111 12.113 -0.677 1.00 45.33 H new ATOM 0 HD13 ILE A 39 1.816 11.699 -0.378 1.00 45.33 H new ATOM 579 N ARG A 40 3.344 15.622 2.742 1.00 14.11 N ATOM 580 CA ARG A 40 4.381 15.434 3.750 1.00 75.51 C ATOM 581 C ARG A 40 4.088 16.268 4.994 1.00 71.55 C ATOM 582 O ARG A 40 4.001 15.738 6.102 1.00 25.34 O ATOM 583 CB ARG A 40 5.750 15.811 3.181 1.00 73.04 C ATOM 584 CG ARG A 40 6.259 14.844 2.125 1.00 61.14 C ATOM 585 CD ARG A 40 7.419 14.010 2.646 1.00 1.11 C ATOM 586 NE ARG A 40 8.016 13.188 1.596 1.00 53.13 N ATOM 587 CZ ARG A 40 9.220 12.635 1.692 1.00 53.24 C ATOM 588 NH1 ARG A 40 9.952 12.816 2.784 1.00 64.40 N ATOM 589 NH2 ARG A 40 9.695 11.899 0.695 1.00 63.43 N ATOM 0 H ARG A 40 3.613 16.230 1.968 1.00 14.11 H new ATOM 0 HA ARG A 40 4.390 14.381 4.033 1.00 75.51 H new ATOM 0 HB2 ARG A 40 5.692 16.810 2.749 1.00 73.04 H new ATOM 0 HB3 ARG A 40 6.472 15.858 3.996 1.00 73.04 H new ATOM 0 HG2 ARG A 40 5.448 14.186 1.812 1.00 61.14 H new ATOM 0 HG3 ARG A 40 6.577 15.401 1.243 1.00 61.14 H new ATOM 0 HD2 ARG A 40 8.179 14.668 3.067 1.00 1.11 H new ATOM 0 HD3 ARG A 40 7.070 13.368 3.455 1.00 1.11 H new ATOM 0 HE ARG A 40 7.479 13.030 0.743 1.00 53.13 H new ATOM 0 HH11 ARG A 40 9.590 13.381 3.552 1.00 64.40 H new ATOM 0 HH12 ARG A 40 10.876 12.390 2.855 1.00 64.40 H new ATOM 0 HH21 ARG A 40 9.135 11.758 -0.146 1.00 63.43 H new ATOM 0 HH22 ARG A 40 10.620 11.475 0.770 1.00 63.43 H new ATOM 603 N MET A 41 3.937 17.573 4.802 1.00 13.25 N ATOM 604 CA MET A 41 3.653 18.480 5.909 1.00 1.31 C ATOM 605 C MET A 41 2.434 18.011 6.697 1.00 24.12 C ATOM 606 O MET A 41 2.424 18.055 7.926 1.00 52.04 O ATOM 607 CB MET A 41 3.423 19.900 5.388 1.00 45.43 C ATOM 608 CG MET A 41 4.709 20.668 5.129 1.00 43.53 C ATOM 609 SD MET A 41 5.185 21.712 6.521 1.00 64.11 S ATOM 610 CE MET A 41 6.783 22.301 5.970 1.00 34.44 C ATOM 0 H MET A 41 4.006 18.027 3.891 1.00 13.25 H new ATOM 0 HA MET A 41 4.516 18.481 6.575 1.00 1.31 H new ATOM 0 HB2 MET A 41 2.847 19.850 4.464 1.00 45.43 H new ATOM 0 HB3 MET A 41 2.820 20.450 6.111 1.00 45.43 H new ATOM 0 HG2 MET A 41 5.513 19.963 4.917 1.00 43.53 H new ATOM 0 HG3 MET A 41 4.586 21.287 4.241 1.00 43.53 H new ATOM 0 HE1 MET A 41 7.208 22.961 6.726 1.00 34.44 H new ATOM 0 HE2 MET A 41 7.449 21.453 5.813 1.00 34.44 H new ATOM 0 HE3 MET A 41 6.666 22.848 5.035 1.00 34.44 H new ATOM 620 N ALA A 42 1.409 17.564 5.981 1.00 63.44 N ATOM 621 CA ALA A 42 0.186 17.085 6.613 1.00 64.01 C ATOM 622 C ALA A 42 0.417 15.752 7.318 1.00 14.51 C ATOM 623 O ALA A 42 -0.101 15.519 8.409 1.00 42.40 O ATOM 624 CB ALA A 42 -0.925 16.952 5.582 1.00 62.11 C ATOM 0 H ALA A 42 1.401 17.523 4.962 1.00 63.44 H new ATOM 0 HA ALA A 42 -0.115 17.816 7.363 1.00 64.01 H new ATOM 0 HB1 ALA A 42 -1.832 16.593 6.069 1.00 62.11 H new ATOM 0 HB2 ALA A 42 -1.117 17.924 5.127 1.00 62.11 H new ATOM 0 HB3 ALA A 42 -0.623 16.244 4.811 1.00 62.11 H new ATOM 630 N ASN A 43 1.199 14.883 6.687 1.00 73.32 N ATOM 631 CA ASN A 43 1.498 13.573 7.255 1.00 71.23 C ATOM 632 C ASN A 43 2.238 13.710 8.582 1.00 1.30 C ATOM 633 O ASN A 43 1.816 13.162 9.600 1.00 1.53 O ATOM 634 CB ASN A 43 2.335 12.749 6.275 1.00 33.44 C ATOM 635 CG ASN A 43 1.481 11.884 5.368 1.00 53.24 C ATOM 636 OD1 ASN A 43 0.375 11.485 5.735 1.00 3.12 O ATOM 637 ND2 ASN A 43 1.991 11.590 4.178 1.00 70.23 N ATOM 0 H ASN A 43 1.637 15.061 5.783 1.00 73.32 H new ATOM 0 HA ASN A 43 0.554 13.060 7.438 1.00 71.23 H new ATOM 0 HB2 ASN A 43 2.942 13.420 5.667 1.00 33.44 H new ATOM 0 HB3 ASN A 43 3.024 12.115 6.834 1.00 33.44 H new ATOM 0 HD21 ASN A 43 1.462 11.011 3.525 1.00 70.23 H new ATOM 0 HD22 ASN A 43 2.912 11.943 3.916 1.00 70.23 H new ATOM 644 N VAL A 44 3.344 14.448 8.563 1.00 52.33 N ATOM 645 CA VAL A 44 4.141 14.660 9.765 1.00 34.14 C ATOM 646 C VAL A 44 3.326 15.357 10.849 1.00 34.20 C ATOM 647 O VAL A 44 3.461 15.052 12.034 1.00 34.23 O ATOM 648 CB VAL A 44 5.398 15.499 9.463 1.00 72.23 C ATOM 649 CG1 VAL A 44 6.262 15.631 10.708 1.00 12.55 C ATOM 650 CG2 VAL A 44 6.187 14.882 8.319 1.00 32.25 C ATOM 0 H VAL A 44 3.708 14.909 7.729 1.00 52.33 H new ATOM 0 HA VAL A 44 4.446 13.676 10.121 1.00 34.14 H new ATOM 0 HB VAL A 44 5.084 16.498 9.160 1.00 72.23 H new ATOM 0 HG11 VAL A 44 7.145 16.226 10.477 1.00 12.55 H new ATOM 0 HG12 VAL A 44 5.691 16.120 11.497 1.00 12.55 H new ATOM 0 HG13 VAL A 44 6.570 14.641 11.044 1.00 12.55 H new ATOM 0 HG21 VAL A 44 7.071 15.487 8.119 1.00 32.25 H new ATOM 0 HG22 VAL A 44 6.493 13.872 8.591 1.00 32.25 H new ATOM 0 HG23 VAL A 44 5.564 14.844 7.426 1.00 32.25 H new ATOM 660 N SER A 45 2.481 16.294 10.436 1.00 10.32 N ATOM 661 CA SER A 45 1.646 17.038 11.372 1.00 40.42 C ATOM 662 C SER A 45 0.666 16.109 12.082 1.00 44.35 C ATOM 663 O SER A 45 0.215 16.392 13.192 1.00 72.43 O ATOM 664 CB SER A 45 0.880 18.142 10.641 1.00 22.55 C ATOM 665 OG SER A 45 1.679 19.303 10.491 1.00 14.24 O ATOM 0 H SER A 45 2.356 16.557 9.458 1.00 10.32 H new ATOM 0 HA SER A 45 2.297 17.492 12.119 1.00 40.42 H new ATOM 0 HB2 SER A 45 0.566 17.783 9.661 1.00 22.55 H new ATOM 0 HB3 SER A 45 -0.026 18.389 11.195 1.00 22.55 H new ATOM 0 HG SER A 45 2.158 19.262 9.637 1.00 14.24 H new ATOM 671 N THR A 46 0.338 14.997 11.432 1.00 65.53 N ATOM 672 CA THR A 46 -0.589 14.025 11.998 1.00 41.50 C ATOM 673 C THR A 46 0.157 12.912 12.724 1.00 71.35 C ATOM 674 O THR A 46 -0.358 11.805 12.879 1.00 72.24 O ATOM 675 CB THR A 46 -1.485 13.402 10.909 1.00 14.21 C ATOM 676 OG1 THR A 46 -0.691 12.614 10.015 1.00 45.11 O ATOM 677 CG2 THR A 46 -2.217 14.483 10.129 1.00 64.34 C ATOM 0 H THR A 46 0.701 14.747 10.512 1.00 65.53 H new ATOM 0 HA THR A 46 -1.215 14.563 12.709 1.00 41.50 H new ATOM 0 HB THR A 46 -2.224 12.765 11.395 1.00 14.21 H new ATOM 0 HG1 THR A 46 0.255 12.844 10.129 1.00 45.11 H new ATOM 0 HG21 THR A 46 -2.843 14.020 9.366 1.00 64.34 H new ATOM 0 HG22 THR A 46 -2.842 15.062 10.809 1.00 64.34 H new ATOM 0 HG23 THR A 46 -1.492 15.142 9.652 1.00 64.34 H new ATOM 685 N GLY A 47 1.373 13.213 13.170 1.00 1.21 N ATOM 686 CA GLY A 47 2.169 12.227 13.876 1.00 72.32 C ATOM 687 C GLY A 47 2.288 10.923 13.112 1.00 34.53 C ATOM 688 O GLY A 47 2.454 9.859 13.708 1.00 34.11 O ATOM 0 H GLY A 47 1.821 14.122 13.055 1.00 1.21 H new ATOM 0 HA2 GLY A 47 3.165 12.631 14.057 1.00 72.32 H new ATOM 0 HA3 GLY A 47 1.722 12.034 14.851 1.00 72.32 H new ATOM 692 N ARG A 48 2.203 11.005 11.788 1.00 54.05 N ATOM 693 CA ARG A 48 2.300 9.821 10.942 1.00 43.41 C ATOM 694 C ARG A 48 3.617 9.810 10.171 1.00 54.22 C ATOM 695 O ARG A 48 4.116 10.857 9.763 1.00 5.34 O ATOM 696 CB ARG A 48 1.125 9.770 9.964 1.00 50.44 C ATOM 697 CG ARG A 48 -0.199 9.414 10.622 1.00 64.22 C ATOM 698 CD ARG A 48 -0.914 8.302 9.869 1.00 54.50 C ATOM 699 NE ARG A 48 -0.213 7.026 9.985 1.00 2.02 N ATOM 700 CZ ARG A 48 -0.309 6.228 11.043 1.00 45.33 C ATOM 701 NH1 ARG A 48 -1.072 6.573 12.070 1.00 2.41 N ATOM 702 NH2 ARG A 48 0.359 5.082 11.073 1.00 74.21 N ATOM 0 H ARG A 48 2.067 11.878 11.278 1.00 54.05 H new ATOM 0 HA ARG A 48 2.268 8.942 11.585 1.00 43.41 H new ATOM 0 HB2 ARG A 48 1.029 10.739 9.474 1.00 50.44 H new ATOM 0 HB3 ARG A 48 1.343 9.039 9.185 1.00 50.44 H new ATOM 0 HG2 ARG A 48 -0.023 9.103 11.652 1.00 64.22 H new ATOM 0 HG3 ARG A 48 -0.837 10.297 10.661 1.00 64.22 H new ATOM 0 HD2 ARG A 48 -1.928 8.196 10.256 1.00 54.50 H new ATOM 0 HD3 ARG A 48 -1.001 8.574 8.817 1.00 54.50 H new ATOM 0 HE ARG A 48 0.383 6.731 9.211 1.00 2.02 H new ATOM 0 HH11 ARG A 48 -1.587 7.453 12.050 1.00 2.41 H new ATOM 0 HH12 ARG A 48 -1.144 5.959 12.881 1.00 2.41 H new ATOM 0 HH21 ARG A 48 0.947 4.813 10.284 1.00 74.21 H new ATOM 0 HH22 ARG A 48 0.285 4.470 11.885 1.00 74.21 H new ATOM 716 N GLU A 49 4.173 8.618 9.979 1.00 21.54 N ATOM 717 CA GLU A 49 5.433 8.472 9.258 1.00 73.44 C ATOM 718 C GLU A 49 5.373 9.179 7.907 1.00 71.00 C ATOM 719 O GLU A 49 4.300 9.467 7.377 1.00 63.11 O ATOM 720 CB GLU A 49 5.761 6.991 9.057 1.00 30.13 C ATOM 721 CG GLU A 49 6.800 6.459 10.030 1.00 10.50 C ATOM 722 CD GLU A 49 7.573 5.281 9.474 1.00 24.42 C ATOM 723 OE1 GLU A 49 7.789 5.241 8.244 1.00 24.34 O ATOM 724 OE2 GLU A 49 7.963 4.398 10.265 1.00 52.12 O ATOM 0 H GLU A 49 3.772 7.741 10.312 1.00 21.54 H new ATOM 0 HA GLU A 49 6.219 8.934 9.855 1.00 73.44 H new ATOM 0 HB2 GLU A 49 4.846 6.408 9.161 1.00 30.13 H new ATOM 0 HB3 GLU A 49 6.120 6.842 8.039 1.00 30.13 H new ATOM 0 HG2 GLU A 49 7.497 7.258 10.284 1.00 10.50 H new ATOM 0 HG3 GLU A 49 6.306 6.160 10.955 1.00 10.50 H new ATOM 731 N PRO A 50 6.552 9.467 7.338 1.00 64.41 N ATOM 732 CA PRO A 50 6.661 10.144 6.042 1.00 61.51 C ATOM 733 C PRO A 50 6.207 9.258 4.885 1.00 14.42 C ATOM 734 O PRO A 50 5.874 9.750 3.808 1.00 13.14 O ATOM 735 CB PRO A 50 8.157 10.448 5.926 1.00 1.34 C ATOM 736 CG PRO A 50 8.820 9.424 6.780 1.00 62.14 C ATOM 737 CD PRO A 50 7.870 9.152 7.914 1.00 10.01 C ATOM 0 HA PRO A 50 6.026 11.029 5.989 1.00 61.51 H new ATOM 0 HB2 PRO A 50 8.496 10.380 4.892 1.00 1.34 H new ATOM 0 HB3 PRO A 50 8.384 11.457 6.270 1.00 1.34 H new ATOM 0 HG2 PRO A 50 9.022 8.515 6.214 1.00 62.14 H new ATOM 0 HG3 PRO A 50 9.778 9.787 7.152 1.00 62.14 H new ATOM 0 HD2 PRO A 50 7.926 8.115 8.245 1.00 10.01 H new ATOM 0 HD3 PRO A 50 8.089 9.776 8.780 1.00 10.01 H new ATOM 745 N GLY A 51 6.197 7.950 5.117 1.00 64.52 N ATOM 746 CA GLY A 51 5.781 7.017 4.084 1.00 53.23 C ATOM 747 C GLY A 51 4.284 6.781 4.085 1.00 41.32 C ATOM 748 O GLY A 51 3.829 5.638 4.070 1.00 63.40 O ATOM 0 H GLY A 51 6.469 7.519 6.000 1.00 64.52 H new ATOM 0 HA2 GLY A 51 6.085 7.399 3.110 1.00 53.23 H new ATOM 0 HA3 GLY A 51 6.296 6.067 4.228 1.00 53.23 H new ATOM 752 N ASP A 52 3.516 7.865 4.105 1.00 43.42 N ATOM 753 CA ASP A 52 2.060 7.771 4.107 1.00 14.43 C ATOM 754 C ASP A 52 1.494 8.071 2.723 1.00 74.32 C ATOM 755 O ASP A 52 1.272 9.229 2.369 1.00 12.10 O ATOM 756 CB ASP A 52 1.468 8.738 5.135 1.00 23.21 C ATOM 757 CG ASP A 52 0.747 8.019 6.257 1.00 55.14 C ATOM 758 OD1 ASP A 52 1.431 7.486 7.156 1.00 14.11 O ATOM 759 OD2 ASP A 52 -0.501 7.991 6.239 1.00 34.41 O ATOM 0 H ASP A 52 3.877 8.819 4.120 1.00 43.42 H new ATOM 0 HA ASP A 52 1.786 6.751 4.378 1.00 14.43 H new ATOM 0 HB2 ASP A 52 2.266 9.352 5.554 1.00 23.21 H new ATOM 0 HB3 ASP A 52 0.774 9.414 4.636 1.00 23.21 H new ATOM 764 N ILE A 53 1.263 7.018 1.945 1.00 42.30 N ATOM 765 CA ILE A 53 0.723 7.169 0.599 1.00 50.44 C ATOM 766 C ILE A 53 -0.213 6.016 0.251 1.00 51.33 C ATOM 767 O ILE A 53 0.122 5.126 -0.530 1.00 32.21 O ATOM 768 CB ILE A 53 1.844 7.241 -0.454 1.00 73.44 C ATOM 769 CG1 ILE A 53 2.864 8.315 -0.071 1.00 23.22 C ATOM 770 CG2 ILE A 53 1.261 7.521 -1.830 1.00 21.00 C ATOM 771 CD1 ILE A 53 4.009 8.438 -1.053 1.00 51.34 C ATOM 0 H ILE A 53 1.441 6.053 2.223 1.00 42.30 H new ATOM 0 HA ILE A 53 0.165 8.105 0.586 1.00 50.44 H new ATOM 0 HB ILE A 53 2.354 6.278 -0.488 1.00 73.44 H new ATOM 0 HG12 ILE A 53 2.356 9.276 0.005 1.00 23.22 H new ATOM 0 HG13 ILE A 53 3.266 8.088 0.917 1.00 23.22 H new ATOM 0 HG21 ILE A 53 2.066 7.569 -2.563 1.00 21.00 H new ATOM 0 HG22 ILE A 53 0.570 6.723 -2.102 1.00 21.00 H new ATOM 0 HG23 ILE A 53 0.729 8.472 -1.813 1.00 21.00 H new ATOM 0 HD11 ILE A 53 4.693 9.218 -0.718 1.00 51.34 H new ATOM 0 HD12 ILE A 53 4.542 7.489 -1.112 1.00 51.34 H new ATOM 0 HD13 ILE A 53 3.618 8.696 -2.037 1.00 51.34 H new ATOM 783 N PRO A 54 -1.418 6.033 0.842 1.00 60.41 N ATOM 784 CA PRO A 54 -2.428 4.997 0.608 1.00 0.44 C ATOM 785 C PRO A 54 -3.009 5.063 -0.801 1.00 62.33 C ATOM 786 O PRO A 54 -2.516 5.801 -1.652 1.00 13.13 O ATOM 787 CB PRO A 54 -3.507 5.313 1.646 1.00 31.41 C ATOM 788 CG PRO A 54 -3.353 6.769 1.922 1.00 31.21 C ATOM 789 CD PRO A 54 -1.886 7.064 1.784 1.00 31.41 C ATOM 0 HA PRO A 54 -2.012 3.994 0.698 1.00 0.44 H new ATOM 0 HB2 PRO A 54 -4.502 5.086 1.264 1.00 31.41 H new ATOM 0 HB3 PRO A 54 -3.370 4.722 2.552 1.00 31.41 H new ATOM 0 HG2 PRO A 54 -3.938 7.363 1.220 1.00 31.21 H new ATOM 0 HG3 PRO A 54 -3.708 7.016 2.922 1.00 31.21 H new ATOM 0 HD2 PRO A 54 -1.713 8.069 1.399 1.00 31.41 H new ATOM 0 HD3 PRO A 54 -1.371 6.997 2.742 1.00 31.41 H new ATOM 797 N GLU A 55 -4.061 4.284 -1.038 1.00 4.24 N ATOM 798 CA GLU A 55 -4.709 4.255 -2.345 1.00 33.13 C ATOM 799 C GLU A 55 -6.173 3.845 -2.217 1.00 23.54 C ATOM 800 O GLU A 55 -6.666 3.015 -2.982 1.00 22.02 O ATOM 801 CB GLU A 55 -3.976 3.290 -3.280 1.00 51.15 C ATOM 802 CG GLU A 55 -3.909 3.771 -4.720 1.00 15.25 C ATOM 803 CD GLU A 55 -3.460 2.685 -5.678 1.00 74.50 C ATOM 804 OE1 GLU A 55 -4.248 1.748 -5.923 1.00 75.11 O ATOM 805 OE2 GLU A 55 -2.320 2.771 -6.181 1.00 43.22 O ATOM 0 H GLU A 55 -4.482 3.666 -0.344 1.00 4.24 H new ATOM 0 HA GLU A 55 -4.667 5.259 -2.766 1.00 33.13 H new ATOM 0 HB2 GLU A 55 -2.962 3.138 -2.909 1.00 51.15 H new ATOM 0 HB3 GLU A 55 -4.475 2.321 -3.252 1.00 51.15 H new ATOM 0 HG2 GLU A 55 -4.891 4.135 -5.024 1.00 15.25 H new ATOM 0 HG3 GLU A 55 -3.222 4.615 -4.786 1.00 15.25 H new ATOM 812 N THR A 56 -6.863 4.431 -1.244 1.00 71.22 N ATOM 813 CA THR A 56 -8.269 4.127 -1.015 1.00 52.14 C ATOM 814 C THR A 56 -9.030 5.362 -0.544 1.00 73.44 C ATOM 815 O THR A 56 -8.553 6.107 0.313 1.00 43.12 O ATOM 816 CB THR A 56 -8.438 3.005 0.028 1.00 32.13 C ATOM 817 OG1 THR A 56 -8.149 3.507 1.338 1.00 54.15 O ATOM 818 CG2 THR A 56 -7.521 1.833 -0.285 1.00 52.10 C ATOM 0 H THR A 56 -6.470 5.119 -0.602 1.00 71.22 H new ATOM 0 HA THR A 56 -8.679 3.793 -1.968 1.00 52.14 H new ATOM 0 HB THR A 56 -9.470 2.658 -0.008 1.00 32.13 H new ATOM 0 HG1 THR A 56 -8.631 2.975 2.006 1.00 54.15 H new ATOM 0 HG21 THR A 56 -7.658 1.054 0.465 1.00 52.10 H new ATOM 0 HG22 THR A 56 -7.763 1.435 -1.271 1.00 52.10 H new ATOM 0 HG23 THR A 56 -6.484 2.169 -0.274 1.00 52.10 H new ATOM 826 N LEU A 57 -10.214 5.571 -1.107 1.00 12.04 N ATOM 827 CA LEU A 57 -11.042 6.717 -0.744 1.00 72.43 C ATOM 828 C LEU A 57 -11.226 6.798 0.768 1.00 43.03 C ATOM 829 O LEU A 57 -11.342 7.886 1.331 1.00 43.45 O ATOM 830 CB LEU A 57 -12.406 6.623 -1.431 1.00 22.35 C ATOM 831 CG LEU A 57 -13.034 7.950 -1.857 1.00 22.12 C ATOM 832 CD1 LEU A 57 -13.213 8.866 -0.656 1.00 4.04 C ATOM 833 CD2 LEU A 57 -12.184 8.625 -2.924 1.00 72.32 C ATOM 0 H LEU A 57 -10.623 4.963 -1.816 1.00 12.04 H new ATOM 0 HA LEU A 57 -10.535 7.622 -1.079 1.00 72.43 H new ATOM 0 HB2 LEU A 57 -12.303 5.992 -2.314 1.00 22.35 H new ATOM 0 HB3 LEU A 57 -13.096 6.117 -0.756 1.00 22.35 H new ATOM 0 HG LEU A 57 -14.017 7.745 -2.281 1.00 22.12 H new ATOM 0 HD11 LEU A 57 -13.661 9.806 -0.979 1.00 4.04 H new ATOM 0 HD12 LEU A 57 -13.864 8.385 0.074 1.00 4.04 H new ATOM 0 HD13 LEU A 57 -12.242 9.064 -0.202 1.00 4.04 H new ATOM 0 HD21 LEU A 57 -12.647 9.568 -3.215 1.00 72.32 H new ATOM 0 HD22 LEU A 57 -11.187 8.817 -2.527 1.00 72.32 H new ATOM 0 HD23 LEU A 57 -12.109 7.974 -3.795 1.00 72.32 H new ATOM 845 N ASP A 58 -11.249 5.640 1.419 1.00 22.12 N ATOM 846 CA ASP A 58 -11.414 5.580 2.867 1.00 63.04 C ATOM 847 C ASP A 58 -10.210 6.188 3.577 1.00 14.04 C ATOM 848 O ASP A 58 -10.361 6.970 4.515 1.00 53.51 O ATOM 849 CB ASP A 58 -11.612 4.132 3.319 1.00 23.00 C ATOM 850 CG ASP A 58 -12.964 3.579 2.914 1.00 73.13 C ATOM 851 OD1 ASP A 58 -13.610 4.177 2.029 1.00 1.33 O ATOM 852 OD2 ASP A 58 -13.376 2.546 3.482 1.00 61.03 O ATOM 0 H ASP A 58 -11.155 4.730 0.967 1.00 22.12 H new ATOM 0 HA ASP A 58 -12.299 6.159 3.132 1.00 63.04 H new ATOM 0 HB2 ASP A 58 -10.825 3.510 2.891 1.00 23.00 H new ATOM 0 HB3 ASP A 58 -11.509 4.075 4.403 1.00 23.00 H new ATOM 857 N GLN A 59 -9.015 5.821 3.126 1.00 25.23 N ATOM 858 CA GLN A 59 -7.784 6.330 3.720 1.00 45.54 C ATOM 859 C GLN A 59 -7.702 7.847 3.586 1.00 5.14 C ATOM 860 O GLN A 59 -7.399 8.550 4.550 1.00 2.41 O ATOM 861 CB GLN A 59 -6.567 5.681 3.060 1.00 63.34 C ATOM 862 CG GLN A 59 -5.933 4.584 3.899 1.00 30.13 C ATOM 863 CD GLN A 59 -6.330 3.195 3.441 1.00 34.54 C ATOM 864 OE1 GLN A 59 -5.717 2.730 2.358 1.00 31.12 O flip ATOM 865 NE2 GLN A 59 -7.178 2.545 4.054 1.00 54.23 N flip ATOM 0 H GLN A 59 -8.873 5.173 2.351 1.00 25.23 H new ATOM 0 HA GLN A 59 -7.791 6.077 4.780 1.00 45.54 H new ATOM 0 HB2 GLN A 59 -6.865 5.265 2.098 1.00 63.34 H new ATOM 0 HB3 GLN A 59 -5.821 6.449 2.858 1.00 63.34 H new ATOM 0 HG2 GLN A 59 -4.848 4.680 3.856 1.00 30.13 H new ATOM 0 HG3 GLN A 59 -6.223 4.715 4.941 1.00 30.13 H new ATOM 0 HE21 GLN A 59 -7.624 2.941 4.881 1.00 54.23 H new ATOM 0 HE22 GLN A 59 -7.434 1.611 3.734 1.00 54.23 H new ATOM 874 N LEU A 60 -7.972 8.345 2.384 1.00 2.24 N ATOM 875 CA LEU A 60 -7.927 9.779 2.123 1.00 24.14 C ATOM 876 C LEU A 60 -8.884 10.530 3.043 1.00 40.21 C ATOM 877 O LEU A 60 -8.507 11.517 3.675 1.00 45.34 O ATOM 878 CB LEU A 60 -8.278 10.063 0.661 1.00 61.02 C ATOM 879 CG LEU A 60 -7.130 9.941 -0.341 1.00 61.21 C ATOM 880 CD1 LEU A 60 -6.074 11.002 -0.074 1.00 31.12 C ATOM 881 CD2 LEU A 60 -6.517 8.549 -0.283 1.00 10.31 C ATOM 0 H LEU A 60 -8.224 7.777 1.575 1.00 2.24 H new ATOM 0 HA LEU A 60 -6.913 10.128 2.321 1.00 24.14 H new ATOM 0 HB2 LEU A 60 -9.071 9.379 0.359 1.00 61.02 H new ATOM 0 HB3 LEU A 60 -8.685 11.072 0.595 1.00 61.02 H new ATOM 0 HG LEU A 60 -7.529 10.099 -1.343 1.00 61.21 H new ATOM 0 HD11 LEU A 60 -5.265 10.900 -0.797 1.00 31.12 H new ATOM 0 HD12 LEU A 60 -6.521 11.992 -0.167 1.00 31.12 H new ATOM 0 HD13 LEU A 60 -5.678 10.876 0.934 1.00 31.12 H new ATOM 0 HD21 LEU A 60 -5.701 8.480 -1.003 1.00 10.31 H new ATOM 0 HD22 LEU A 60 -6.133 8.362 0.720 1.00 10.31 H new ATOM 0 HD23 LEU A 60 -7.277 7.806 -0.524 1.00 10.31 H new ATOM 893 N ARG A 61 -10.124 10.055 3.113 1.00 13.51 N ATOM 894 CA ARG A 61 -11.135 10.681 3.957 1.00 53.14 C ATOM 895 C ARG A 61 -10.639 10.812 5.394 1.00 15.22 C ATOM 896 O ARG A 61 -10.825 11.848 6.034 1.00 31.12 O ATOM 897 CB ARG A 61 -12.430 9.868 3.926 1.00 25.31 C ATOM 898 CG ARG A 61 -13.574 10.514 4.691 1.00 25.25 C ATOM 899 CD ARG A 61 -14.291 9.507 5.576 1.00 1.23 C ATOM 900 NE ARG A 61 -13.804 9.543 6.952 1.00 13.44 N ATOM 901 CZ ARG A 61 -14.229 8.722 7.905 1.00 15.11 C ATOM 902 NH1 ARG A 61 -15.145 7.803 7.633 1.00 4.13 N ATOM 903 NH2 ARG A 61 -13.737 8.817 9.134 1.00 24.33 N ATOM 0 H ARG A 61 -10.452 9.239 2.596 1.00 13.51 H new ATOM 0 HA ARG A 61 -11.331 11.679 3.566 1.00 53.14 H new ATOM 0 HB2 ARG A 61 -12.733 9.724 2.889 1.00 25.31 H new ATOM 0 HB3 ARG A 61 -12.238 8.879 4.343 1.00 25.31 H new ATOM 0 HG2 ARG A 61 -13.189 11.329 5.304 1.00 25.25 H new ATOM 0 HG3 ARG A 61 -14.283 10.951 3.987 1.00 25.25 H new ATOM 0 HD2 ARG A 61 -15.361 9.712 5.565 1.00 1.23 H new ATOM 0 HD3 ARG A 61 -14.154 8.505 5.169 1.00 1.23 H new ATOM 0 HE ARG A 61 -13.098 10.238 7.195 1.00 13.44 H new ATOM 0 HH11 ARG A 61 -15.525 7.725 6.690 1.00 4.13 H new ATOM 0 HH12 ARG A 61 -15.470 7.174 8.367 1.00 4.13 H new ATOM 0 HH21 ARG A 61 -13.031 9.522 9.348 1.00 24.33 H new ATOM 0 HH22 ARG A 61 -14.065 8.185 9.865 1.00 24.33 H new ATOM 917 N LEU A 62 -10.008 9.756 5.896 1.00 23.34 N ATOM 918 CA LEU A 62 -9.485 9.753 7.258 1.00 63.32 C ATOM 919 C LEU A 62 -8.437 10.846 7.441 1.00 62.23 C ATOM 920 O LEU A 62 -8.396 11.513 8.474 1.00 41.12 O ATOM 921 CB LEU A 62 -8.879 8.387 7.588 1.00 0.23 C ATOM 922 CG LEU A 62 -9.258 7.797 8.947 1.00 23.53 C ATOM 923 CD1 LEU A 62 -8.748 8.681 10.074 1.00 71.40 C ATOM 924 CD2 LEU A 62 -10.765 7.616 9.048 1.00 14.10 C ATOM 0 H LEU A 62 -9.846 8.891 5.380 1.00 23.34 H new ATOM 0 HA LEU A 62 -10.312 9.951 7.940 1.00 63.32 H new ATOM 0 HB2 LEU A 62 -9.177 7.682 6.812 1.00 0.23 H new ATOM 0 HB3 LEU A 62 -7.793 8.472 7.541 1.00 0.23 H new ATOM 0 HG LEU A 62 -8.788 6.818 9.041 1.00 23.53 H new ATOM 0 HD11 LEU A 62 -9.027 8.245 11.033 1.00 71.40 H new ATOM 0 HD12 LEU A 62 -7.662 8.758 10.013 1.00 71.40 H new ATOM 0 HD13 LEU A 62 -9.188 9.674 9.985 1.00 71.40 H new ATOM 0 HD21 LEU A 62 -11.016 7.195 10.022 1.00 14.10 H new ATOM 0 HD22 LEU A 62 -11.256 8.582 8.933 1.00 14.10 H new ATOM 0 HD23 LEU A 62 -11.104 6.941 8.262 1.00 14.10 H new ATOM 936 N VAL A 63 -7.592 11.023 6.431 1.00 4.13 N ATOM 937 CA VAL A 63 -6.545 12.038 6.479 1.00 61.32 C ATOM 938 C VAL A 63 -7.141 13.440 6.530 1.00 51.41 C ATOM 939 O VAL A 63 -6.688 14.291 7.297 1.00 73.52 O ATOM 940 CB VAL A 63 -5.608 11.935 5.262 1.00 2.14 C ATOM 941 CG1 VAL A 63 -4.416 12.867 5.425 1.00 63.04 C ATOM 942 CG2 VAL A 63 -5.148 10.498 5.064 1.00 15.12 C ATOM 0 H VAL A 63 -7.611 10.477 5.569 1.00 4.13 H new ATOM 0 HA VAL A 63 -5.970 11.857 7.387 1.00 61.32 H new ATOM 0 HB VAL A 63 -6.160 12.242 4.374 1.00 2.14 H new ATOM 0 HG11 VAL A 63 -3.765 12.780 4.555 1.00 63.04 H new ATOM 0 HG12 VAL A 63 -4.767 13.895 5.514 1.00 63.04 H new ATOM 0 HG13 VAL A 63 -3.861 12.594 6.322 1.00 63.04 H new ATOM 0 HG21 VAL A 63 -4.486 10.444 4.199 1.00 15.12 H new ATOM 0 HG22 VAL A 63 -4.613 10.162 5.952 1.00 15.12 H new ATOM 0 HG23 VAL A 63 -6.015 9.858 4.898 1.00 15.12 H new ATOM 952 N ILE A 64 -8.160 13.674 5.710 1.00 12.42 N ATOM 953 CA ILE A 64 -8.820 14.974 5.664 1.00 33.24 C ATOM 954 C ILE A 64 -9.356 15.368 7.036 1.00 22.20 C ATOM 955 O ILE A 64 -9.147 16.491 7.496 1.00 44.04 O ATOM 956 CB ILE A 64 -9.979 14.981 4.650 1.00 75.30 C ATOM 957 CG1 ILE A 64 -9.459 14.671 3.245 1.00 30.14 C ATOM 958 CG2 ILE A 64 -10.694 16.323 4.673 1.00 3.45 C ATOM 959 CD1 ILE A 64 -8.527 15.729 2.699 1.00 3.04 C ATOM 0 H ILE A 64 -8.547 12.981 5.069 1.00 12.42 H new ATOM 0 HA ILE A 64 -8.069 15.698 5.349 1.00 33.24 H new ATOM 0 HB ILE A 64 -10.693 14.207 4.931 1.00 75.30 H new ATOM 0 HG12 ILE A 64 -8.938 13.714 3.262 1.00 30.14 H new ATOM 0 HG13 ILE A 64 -10.307 14.561 2.569 1.00 30.14 H new ATOM 0 HG21 ILE A 64 -11.511 16.313 3.951 1.00 3.45 H new ATOM 0 HG22 ILE A 64 -11.094 16.505 5.671 1.00 3.45 H new ATOM 0 HG23 ILE A 64 -9.991 17.114 4.414 1.00 3.45 H new ATOM 0 HD11 ILE A 64 -8.198 15.443 1.700 1.00 3.04 H new ATOM 0 HD12 ILE A 64 -9.050 16.684 2.649 1.00 3.04 H new ATOM 0 HD13 ILE A 64 -7.660 15.823 3.353 1.00 3.04 H new ATOM 971 N CYS A 65 -10.045 14.436 7.685 1.00 34.34 N ATOM 972 CA CYS A 65 -10.610 14.685 9.006 1.00 14.00 C ATOM 973 C CYS A 65 -9.517 15.045 10.007 1.00 61.30 C ATOM 974 O CYS A 65 -9.613 16.049 10.713 1.00 23.53 O ATOM 975 CB CYS A 65 -11.380 13.457 9.493 1.00 52.41 C ATOM 976 SG CYS A 65 -11.985 13.591 11.193 1.00 5.32 S ATOM 0 H CYS A 65 -10.226 13.502 7.318 1.00 34.34 H new ATOM 0 HA CYS A 65 -11.296 15.528 8.927 1.00 14.00 H new ATOM 0 HB2 CYS A 65 -12.228 13.286 8.829 1.00 52.41 H new ATOM 0 HB3 CYS A 65 -10.734 12.582 9.416 1.00 52.41 H new ATOM 0 HG CYS A 65 -12.625 12.505 11.513 1.00 5.32 H new ATOM 982 N ASP A 66 -8.479 14.217 10.064 1.00 10.44 N ATOM 983 CA ASP A 66 -7.366 14.447 10.979 1.00 43.22 C ATOM 984 C ASP A 66 -6.728 15.810 10.727 1.00 3.01 C ATOM 985 O ASP A 66 -6.384 16.529 11.666 1.00 2.32 O ATOM 986 CB ASP A 66 -6.319 13.344 10.829 1.00 52.13 C ATOM 987 CG ASP A 66 -6.933 11.958 10.832 1.00 51.23 C ATOM 988 OD1 ASP A 66 -7.968 11.768 11.506 1.00 13.12 O ATOM 989 OD2 ASP A 66 -6.380 11.063 10.159 1.00 34.24 O ATOM 0 H ASP A 66 -8.385 13.381 9.488 1.00 10.44 H new ATOM 0 HA ASP A 66 -7.755 14.431 11.997 1.00 43.22 H new ATOM 0 HB2 ASP A 66 -5.770 13.493 9.899 1.00 52.13 H new ATOM 0 HB3 ASP A 66 -5.597 13.420 11.642 1.00 52.13 H new ATOM 994 N LEU A 67 -6.573 16.158 9.454 1.00 71.52 N ATOM 995 CA LEU A 67 -5.974 17.434 9.078 1.00 64.00 C ATOM 996 C LEU A 67 -6.800 18.601 9.612 1.00 31.32 C ATOM 997 O LEU A 67 -6.252 19.628 10.011 1.00 73.25 O ATOM 998 CB LEU A 67 -5.854 17.533 7.556 1.00 14.54 C ATOM 999 CG LEU A 67 -4.439 17.429 6.987 1.00 62.10 C ATOM 1000 CD1 LEU A 67 -4.461 16.757 5.622 1.00 12.34 C ATOM 1001 CD2 LEU A 67 -3.797 18.805 6.896 1.00 4.14 C ATOM 0 H LEU A 67 -6.854 15.575 8.665 1.00 71.52 H new ATOM 0 HA LEU A 67 -4.979 17.486 9.519 1.00 64.00 H new ATOM 0 HB2 LEU A 67 -6.462 16.745 7.112 1.00 14.54 H new ATOM 0 HB3 LEU A 67 -6.283 18.484 7.239 1.00 14.54 H new ATOM 0 HG LEU A 67 -3.841 16.816 7.662 1.00 62.10 H new ATOM 0 HD11 LEU A 67 -3.445 16.692 5.232 1.00 12.34 H new ATOM 0 HD12 LEU A 67 -4.879 15.755 5.717 1.00 12.34 H new ATOM 0 HD13 LEU A 67 -5.075 17.343 4.938 1.00 12.34 H new ATOM 0 HD21 LEU A 67 -2.790 18.711 6.489 1.00 4.14 H new ATOM 0 HD22 LEU A 67 -4.394 19.443 6.244 1.00 4.14 H new ATOM 0 HD23 LEU A 67 -3.746 19.249 7.890 1.00 4.14 H new ATOM 1013 N GLN A 68 -8.118 18.432 9.617 1.00 12.31 N ATOM 1014 CA GLN A 68 -9.018 19.472 10.104 1.00 24.15 C ATOM 1015 C GLN A 68 -8.821 19.707 11.598 1.00 62.50 C ATOM 1016 O GLN A 68 -8.667 20.844 12.041 1.00 51.42 O ATOM 1017 CB GLN A 68 -10.472 19.089 9.822 1.00 54.42 C ATOM 1018 CG GLN A 68 -11.447 20.244 9.983 1.00 43.31 C ATOM 1019 CD GLN A 68 -11.319 21.274 8.879 1.00 5.10 C ATOM 1020 OE1 GLN A 68 -10.756 22.352 9.081 1.00 44.44 O ATOM 1021 NE2 GLN A 68 -11.840 20.949 7.701 1.00 72.25 N ATOM 0 H GLN A 68 -8.586 17.587 9.290 1.00 12.31 H new ATOM 0 HA GLN A 68 -8.784 20.397 9.577 1.00 24.15 H new ATOM 0 HB2 GLN A 68 -10.546 18.700 8.806 1.00 54.42 H new ATOM 0 HB3 GLN A 68 -10.763 18.282 10.494 1.00 54.42 H new ATOM 0 HG2 GLN A 68 -12.465 19.856 9.996 1.00 43.31 H new ATOM 0 HG3 GLN A 68 -11.277 20.726 10.946 1.00 43.31 H new ATOM 0 HE21 GLN A 68 -12.297 20.046 7.577 1.00 72.25 H new ATOM 0 HE22 GLN A 68 -11.783 21.603 6.920 1.00 72.25 H new ATOM 1030 N GLU A 69 -8.828 18.623 12.368 1.00 61.33 N ATOM 1031 CA GLU A 69 -8.651 18.712 13.812 1.00 41.42 C ATOM 1032 C GLU A 69 -7.362 19.451 14.158 1.00 35.34 C ATOM 1033 O GLU A 69 -7.344 20.314 15.036 1.00 42.24 O ATOM 1034 CB GLU A 69 -8.634 17.314 14.434 1.00 21.34 C ATOM 1035 CG GLU A 69 -10.008 16.813 14.845 1.00 13.53 C ATOM 1036 CD GLU A 69 -10.051 15.308 15.025 1.00 24.01 C ATOM 1037 OE1 GLU A 69 -9.031 14.648 14.737 1.00 11.34 O ATOM 1038 OE2 GLU A 69 -11.104 14.791 15.453 1.00 10.43 O ATOM 0 H GLU A 69 -8.954 17.674 12.016 1.00 61.33 H new ATOM 0 HA GLU A 69 -9.491 19.273 14.221 1.00 41.42 H new ATOM 0 HB2 GLU A 69 -8.200 16.614 13.721 1.00 21.34 H new ATOM 0 HB3 GLU A 69 -7.983 17.323 15.308 1.00 21.34 H new ATOM 0 HG2 GLU A 69 -10.302 17.295 15.777 1.00 13.53 H new ATOM 0 HG3 GLU A 69 -10.738 17.106 14.090 1.00 13.53 H new ATOM 1045 N ARG A 70 -6.283 19.104 13.462 1.00 41.23 N ATOM 1046 CA ARG A 70 -4.989 19.732 13.696 1.00 32.22 C ATOM 1047 C ARG A 70 -4.979 21.168 13.180 1.00 5.42 C ATOM 1048 O ARG A 70 -4.415 22.062 13.811 1.00 12.02 O ATOM 1049 CB ARG A 70 -3.878 18.928 13.018 1.00 2.13 C ATOM 1050 CG ARG A 70 -3.870 17.457 13.401 1.00 40.01 C ATOM 1051 CD ARG A 70 -3.370 17.255 14.823 1.00 34.23 C ATOM 1052 NE ARG A 70 -4.392 16.666 15.684 1.00 14.40 N ATOM 1053 CZ ARG A 70 -4.770 15.395 15.614 1.00 21.32 C ATOM 1054 NH1 ARG A 70 -4.213 14.582 14.726 1.00 12.45 N ATOM 1055 NH2 ARG A 70 -5.707 14.934 16.432 1.00 41.11 N ATOM 0 H ARG A 70 -6.280 18.392 12.732 1.00 41.23 H new ATOM 0 HA ARG A 70 -4.812 19.750 14.771 1.00 32.22 H new ATOM 0 HB2 ARG A 70 -3.988 19.013 11.937 1.00 2.13 H new ATOM 0 HB3 ARG A 70 -2.914 19.367 13.276 1.00 2.13 H new ATOM 0 HG2 ARG A 70 -4.877 17.050 13.307 1.00 40.01 H new ATOM 0 HG3 ARG A 70 -3.236 16.903 12.709 1.00 40.01 H new ATOM 0 HD2 ARG A 70 -2.491 16.610 14.810 1.00 34.23 H new ATOM 0 HD3 ARG A 70 -3.056 18.213 15.236 1.00 34.23 H new ATOM 0 HE ARG A 70 -4.840 17.264 16.378 1.00 14.40 H new ATOM 0 HH11 ARG A 70 -3.493 14.933 14.095 1.00 12.45 H new ATOM 0 HH12 ARG A 70 -4.505 13.606 14.674 1.00 12.45 H new ATOM 0 HH21 ARG A 70 -6.138 15.556 17.116 1.00 41.11 H new ATOM 0 HH22 ARG A 70 -5.996 13.957 16.377 1.00 41.11 H new ATOM 1069 N ARG A 71 -5.609 21.382 12.028 1.00 72.35 N ATOM 1070 CA ARG A 71 -5.671 22.708 11.427 1.00 42.40 C ATOM 1071 C ARG A 71 -6.301 23.712 12.388 1.00 23.55 C ATOM 1072 O ARG A 71 -5.960 24.894 12.375 1.00 44.33 O ATOM 1073 CB ARG A 71 -6.471 22.663 10.124 1.00 61.31 C ATOM 1074 CG ARG A 71 -6.771 24.036 9.545 1.00 72.45 C ATOM 1075 CD ARG A 71 -8.237 24.405 9.716 1.00 74.10 C ATOM 1076 NE ARG A 71 -8.539 25.720 9.160 1.00 0.25 N ATOM 1077 CZ ARG A 71 -8.625 25.966 7.858 1.00 65.02 C ATOM 1078 NH1 ARG A 71 -8.435 24.989 6.982 1.00 63.52 N ATOM 1079 NH2 ARG A 71 -8.904 27.190 7.428 1.00 73.13 N ATOM 0 H ARG A 71 -6.083 20.654 11.494 1.00 72.35 H new ATOM 0 HA ARG A 71 -4.652 23.029 11.210 1.00 42.40 H new ATOM 0 HB2 ARG A 71 -5.917 22.081 9.388 1.00 61.31 H new ATOM 0 HB3 ARG A 71 -7.411 22.140 10.302 1.00 61.31 H new ATOM 0 HG2 ARG A 71 -6.147 24.783 10.036 1.00 72.45 H new ATOM 0 HG3 ARG A 71 -6.512 24.050 8.486 1.00 72.45 H new ATOM 0 HD2 ARG A 71 -8.859 23.654 9.229 1.00 74.10 H new ATOM 0 HD3 ARG A 71 -8.493 24.392 10.775 1.00 74.10 H new ATOM 0 HE ARG A 71 -8.693 26.493 9.807 1.00 0.25 H new ATOM 0 HH11 ARG A 71 -8.222 24.046 7.308 1.00 63.52 H new ATOM 0 HH12 ARG A 71 -8.502 25.180 5.982 1.00 63.52 H new ATOM 0 HH21 ARG A 71 -9.053 27.944 8.098 1.00 73.13 H new ATOM 0 HH22 ARG A 71 -8.969 27.376 6.427 1.00 73.13 H new ATOM 1093 N GLU A 72 -7.221 23.232 13.219 1.00 62.12 N ATOM 1094 CA GLU A 72 -7.899 24.088 14.185 1.00 14.22 C ATOM 1095 C GLU A 72 -7.026 24.316 15.416 1.00 74.20 C ATOM 1096 O GLU A 72 -6.676 25.451 15.741 1.00 35.11 O ATOM 1097 CB GLU A 72 -9.234 23.467 14.601 1.00 1.41 C ATOM 1098 CG GLU A 72 -10.033 24.332 15.561 1.00 62.12 C ATOM 1099 CD GLU A 72 -10.981 25.275 14.846 1.00 30.14 C ATOM 1100 OE1 GLU A 72 -11.967 24.788 14.254 1.00 4.10 O ATOM 1101 OE2 GLU A 72 -10.737 26.500 14.878 1.00 63.41 O ATOM 0 H GLU A 72 -7.514 22.255 13.242 1.00 62.12 H new ATOM 0 HA GLU A 72 -8.087 25.051 13.710 1.00 14.22 H new ATOM 0 HB2 GLU A 72 -9.832 23.280 13.709 1.00 1.41 H new ATOM 0 HB3 GLU A 72 -9.046 22.500 15.067 1.00 1.41 H new ATOM 0 HG2 GLU A 72 -10.603 23.691 16.233 1.00 62.12 H new ATOM 0 HG3 GLU A 72 -9.347 24.912 16.179 1.00 62.12 H new ATOM 1108 N LYS A 73 -6.677 23.230 16.097 1.00 50.11 N ATOM 1109 CA LYS A 73 -5.845 23.309 17.291 1.00 31.03 C ATOM 1110 C LYS A 73 -4.570 24.099 17.015 1.00 61.21 C ATOM 1111 O LYS A 73 -4.021 24.743 17.908 1.00 10.22 O ATOM 1112 CB LYS A 73 -5.491 21.904 17.785 1.00 43.31 C ATOM 1113 CG LYS A 73 -4.755 21.894 19.114 1.00 20.15 C ATOM 1114 CD LYS A 73 -5.548 21.166 20.185 1.00 61.05 C ATOM 1115 CE LYS A 73 -6.634 22.052 20.775 1.00 4.14 C ATOM 1116 NZ LYS A 73 -6.063 23.188 21.550 1.00 73.52 N ATOM 0 H LYS A 73 -6.958 22.283 15.842 1.00 50.11 H new ATOM 0 HA LYS A 73 -6.412 23.827 18.064 1.00 31.03 H new ATOM 0 HB2 LYS A 73 -6.407 21.321 17.882 1.00 43.31 H new ATOM 0 HB3 LYS A 73 -4.875 21.408 17.034 1.00 43.31 H new ATOM 0 HG2 LYS A 73 -3.784 21.414 18.990 1.00 20.15 H new ATOM 0 HG3 LYS A 73 -4.566 22.919 19.434 1.00 20.15 H new ATOM 0 HD2 LYS A 73 -6.000 20.270 19.759 1.00 61.05 H new ATOM 0 HD3 LYS A 73 -4.875 20.838 20.977 1.00 61.05 H new ATOM 0 HE2 LYS A 73 -7.262 22.439 19.973 1.00 4.14 H new ATOM 0 HE3 LYS A 73 -7.276 21.456 21.424 1.00 4.14 H new ATOM 0 HZ1 LYS A 73 -6.772 23.539 22.225 1.00 73.52 H new ATOM 0 HZ2 LYS A 73 -5.221 22.866 22.069 1.00 73.52 H new ATOM 0 HZ3 LYS A 73 -5.796 23.954 20.898 1.00 73.52 H new ATOM 1130 N PHE A 74 -4.104 24.045 15.771 1.00 31.33 N ATOM 1131 CA PHE A 74 -2.894 24.755 15.377 1.00 12.14 C ATOM 1132 C PHE A 74 -3.231 26.129 14.804 1.00 41.35 C ATOM 1133 O PHE A 74 -2.416 27.049 14.847 1.00 11.34 O ATOM 1134 CB PHE A 74 -2.111 23.939 14.347 1.00 34.34 C ATOM 1135 CG PHE A 74 -0.620 24.096 14.465 1.00 4.10 C ATOM 1136 CD1 PHE A 74 0.015 25.212 13.945 1.00 60.21 C ATOM 1137 CD2 PHE A 74 0.144 23.127 15.095 1.00 44.43 C ATOM 1138 CE1 PHE A 74 1.386 25.359 14.052 1.00 45.24 C ATOM 1139 CE2 PHE A 74 1.513 23.269 15.205 1.00 74.21 C ATOM 1140 CZ PHE A 74 2.135 24.386 14.682 1.00 34.31 C ATOM 0 H PHE A 74 -4.547 23.517 15.019 1.00 31.33 H new ATOM 0 HA PHE A 74 -2.278 24.893 16.266 1.00 12.14 H new ATOM 0 HB2 PHE A 74 -2.367 22.886 14.459 1.00 34.34 H new ATOM 0 HB3 PHE A 74 -2.422 24.238 13.346 1.00 34.34 H new ATOM 0 HD1 PHE A 74 -0.567 25.976 13.451 1.00 60.21 H new ATOM 0 HD2 PHE A 74 -0.337 22.251 15.505 1.00 44.43 H new ATOM 0 HE1 PHE A 74 1.870 26.234 13.643 1.00 45.24 H new ATOM 0 HE2 PHE A 74 2.097 22.507 15.700 1.00 74.21 H new ATOM 0 HZ PHE A 74 3.206 24.498 14.766 1.00 34.31 H new ATOM 1150 N GLY A 75 -4.440 26.258 14.266 1.00 54.23 N ATOM 1151 CA GLY A 75 -4.866 27.521 13.691 1.00 15.52 C ATOM 1152 C GLY A 75 -4.782 27.527 12.178 1.00 73.21 C ATOM 1153 O GLY A 75 -4.194 26.626 11.579 1.00 1.23 O ATOM 0 H GLY A 75 -5.132 25.510 14.218 1.00 54.23 H new ATOM 0 HA2 GLY A 75 -5.892 27.728 13.996 1.00 15.52 H new ATOM 0 HA3 GLY A 75 -4.247 28.325 14.089 1.00 15.52 H new ATOM 1157 N SER A 76 -5.371 28.544 11.558 1.00 41.41 N ATOM 1158 CA SER A 76 -5.365 28.660 10.105 1.00 51.13 C ATOM 1159 C SER A 76 -4.062 29.286 9.615 1.00 50.43 C ATOM 1160 O SER A 76 -3.767 30.444 9.911 1.00 44.35 O ATOM 1161 CB SER A 76 -6.555 29.499 9.635 1.00 64.20 C ATOM 1162 OG SER A 76 -6.499 29.725 8.236 1.00 40.12 O ATOM 0 H SER A 76 -5.859 29.300 12.039 1.00 41.41 H new ATOM 0 HA SER A 76 -5.447 27.658 9.685 1.00 51.13 H new ATOM 0 HB2 SER A 76 -7.485 28.990 9.887 1.00 64.20 H new ATOM 0 HB3 SER A 76 -6.561 30.454 10.161 1.00 64.20 H new ATOM 0 HG SER A 76 -7.271 30.262 7.960 1.00 40.12 H new ATOM 1168 N SER A 77 -3.287 28.511 8.865 1.00 22.14 N ATOM 1169 CA SER A 77 -2.013 28.986 8.337 1.00 1.54 C ATOM 1170 C SER A 77 -1.865 28.620 6.863 1.00 33.11 C ATOM 1171 O SER A 77 -2.567 27.744 6.355 1.00 13.25 O ATOM 1172 CB SER A 77 -0.851 28.398 9.140 1.00 5.41 C ATOM 1173 OG SER A 77 -0.586 27.062 8.749 1.00 44.14 O ATOM 0 H SER A 77 -3.518 27.551 8.609 1.00 22.14 H new ATOM 0 HA SER A 77 -1.994 30.072 8.427 1.00 1.54 H new ATOM 0 HB2 SER A 77 0.041 29.007 8.994 1.00 5.41 H new ATOM 0 HB3 SER A 77 -1.087 28.429 10.204 1.00 5.41 H new ATOM 0 HG SER A 77 0.162 26.709 9.275 1.00 44.14 H new ATOM 1179 N LYS A 78 -0.947 29.296 6.181 1.00 73.01 N ATOM 1180 CA LYS A 78 -0.703 29.042 4.766 1.00 40.42 C ATOM 1181 C LYS A 78 -0.230 27.609 4.544 1.00 12.02 C ATOM 1182 O LYS A 78 -0.576 26.980 3.545 1.00 63.11 O ATOM 1183 CB LYS A 78 0.337 30.024 4.223 1.00 25.15 C ATOM 1184 CG LYS A 78 0.075 31.467 4.617 1.00 2.14 C ATOM 1185 CD LYS A 78 1.005 31.919 5.730 1.00 51.01 C ATOM 1186 CE LYS A 78 2.227 32.638 5.178 1.00 61.53 C ATOM 1187 NZ LYS A 78 3.206 32.970 6.250 1.00 0.31 N ATOM 0 H LYS A 78 -0.359 30.025 6.586 1.00 73.01 H new ATOM 0 HA LYS A 78 -1.641 29.183 4.230 1.00 40.42 H new ATOM 0 HB2 LYS A 78 1.323 29.731 4.583 1.00 25.15 H new ATOM 0 HB3 LYS A 78 0.360 29.952 3.136 1.00 25.15 H new ATOM 0 HG2 LYS A 78 0.206 32.112 3.748 1.00 2.14 H new ATOM 0 HG3 LYS A 78 -0.960 31.574 4.941 1.00 2.14 H new ATOM 0 HD2 LYS A 78 0.467 32.581 6.408 1.00 51.01 H new ATOM 0 HD3 LYS A 78 1.323 31.055 6.314 1.00 51.01 H new ATOM 0 HE2 LYS A 78 2.709 32.011 4.427 1.00 61.53 H new ATOM 0 HE3 LYS A 78 1.914 33.553 4.676 1.00 61.53 H new ATOM 0 HZ1 LYS A 78 4.024 33.459 5.834 1.00 0.31 H new ATOM 0 HZ2 LYS A 78 2.754 33.589 6.953 1.00 0.31 H new ATOM 0 HZ3 LYS A 78 3.524 32.095 6.713 1.00 0.31 H new ATOM 1201 N GLU A 79 0.562 27.100 5.482 1.00 33.12 N ATOM 1202 CA GLU A 79 1.082 25.740 5.388 1.00 42.21 C ATOM 1203 C GLU A 79 -0.045 24.718 5.506 1.00 32.23 C ATOM 1204 O GLU A 79 -0.241 23.889 4.618 1.00 20.14 O ATOM 1205 CB GLU A 79 2.127 25.493 6.477 1.00 51.21 C ATOM 1206 CG GLU A 79 3.313 26.440 6.409 1.00 52.31 C ATOM 1207 CD GLU A 79 3.596 27.117 7.736 1.00 1.14 C ATOM 1208 OE1 GLU A 79 4.647 26.818 8.342 1.00 43.15 O ATOM 1209 OE2 GLU A 79 2.768 27.945 8.169 1.00 50.02 O ATOM 0 H GLU A 79 0.858 27.608 6.316 1.00 33.12 H new ATOM 0 HA GLU A 79 1.553 25.625 4.412 1.00 42.21 H new ATOM 0 HB2 GLU A 79 1.652 25.589 7.453 1.00 51.21 H new ATOM 0 HB3 GLU A 79 2.487 24.467 6.397 1.00 51.21 H new ATOM 0 HG2 GLU A 79 4.197 25.887 6.092 1.00 52.31 H new ATOM 0 HG3 GLU A 79 3.123 27.200 5.651 1.00 52.31 H new ATOM 1216 N ILE A 80 -0.781 24.784 6.610 1.00 72.14 N ATOM 1217 CA ILE A 80 -1.889 23.864 6.845 1.00 15.44 C ATOM 1218 C ILE A 80 -3.002 24.072 5.825 1.00 2.45 C ATOM 1219 O ILE A 80 -3.777 23.160 5.542 1.00 73.00 O ATOM 1220 CB ILE A 80 -2.468 24.032 8.263 1.00 25.15 C ATOM 1221 CG1 ILE A 80 -1.381 23.797 9.313 1.00 2.13 C ATOM 1222 CG2 ILE A 80 -3.634 23.078 8.475 1.00 31.14 C ATOM 1223 CD1 ILE A 80 -1.817 24.137 10.721 1.00 23.33 C ATOM 0 H ILE A 80 -0.631 25.464 7.356 1.00 72.14 H new ATOM 0 HA ILE A 80 -1.490 22.855 6.741 1.00 15.44 H new ATOM 0 HB ILE A 80 -2.835 25.053 8.371 1.00 25.15 H new ATOM 0 HG12 ILE A 80 -1.074 22.752 9.279 1.00 2.13 H new ATOM 0 HG13 ILE A 80 -0.506 24.395 9.058 1.00 2.13 H new ATOM 0 HG21 ILE A 80 -4.032 23.208 9.481 1.00 31.14 H new ATOM 0 HG22 ILE A 80 -4.415 23.290 7.745 1.00 31.14 H new ATOM 0 HG23 ILE A 80 -3.291 22.051 8.351 1.00 31.14 H new ATOM 0 HD11 ILE A 80 -0.996 23.946 11.412 1.00 23.33 H new ATOM 0 HD12 ILE A 80 -2.096 25.189 10.771 1.00 23.33 H new ATOM 0 HD13 ILE A 80 -2.673 23.521 10.995 1.00 23.33 H new ATOM 1235 N ASP A 81 -3.074 25.280 5.274 1.00 41.33 N ATOM 1236 CA ASP A 81 -4.091 25.608 4.282 1.00 44.11 C ATOM 1237 C ASP A 81 -3.893 24.789 3.010 1.00 11.10 C ATOM 1238 O ASP A 81 -4.790 24.062 2.583 1.00 24.22 O ATOM 1239 CB ASP A 81 -4.051 27.102 3.954 1.00 71.42 C ATOM 1240 CG ASP A 81 -4.957 27.464 2.793 1.00 74.32 C ATOM 1241 OD1 ASP A 81 -4.460 28.066 1.819 1.00 1.15 O ATOM 1242 OD2 ASP A 81 -6.161 27.143 2.859 1.00 61.02 O ATOM 0 H ASP A 81 -2.440 26.047 5.498 1.00 41.33 H new ATOM 0 HA ASP A 81 -5.066 25.363 4.702 1.00 44.11 H new ATOM 0 HB2 ASP A 81 -4.348 27.672 4.834 1.00 71.42 H new ATOM 0 HB3 ASP A 81 -3.027 27.392 3.716 1.00 71.42 H new ATOM 1247 N MET A 82 -2.715 24.914 2.410 1.00 25.43 N ATOM 1248 CA MET A 82 -2.400 24.186 1.185 1.00 75.02 C ATOM 1249 C MET A 82 -2.320 22.686 1.452 1.00 33.13 C ATOM 1250 O MET A 82 -2.542 21.874 0.553 1.00 12.04 O ATOM 1251 CB MET A 82 -1.078 24.682 0.598 1.00 32.14 C ATOM 1252 CG MET A 82 -1.200 26.004 -0.142 1.00 11.25 C ATOM 1253 SD MET A 82 -0.711 25.879 -1.874 1.00 73.12 S ATOM 1254 CE MET A 82 -0.017 27.507 -2.148 1.00 54.23 C ATOM 0 H MET A 82 -1.962 25.512 2.751 1.00 25.43 H new ATOM 0 HA MET A 82 -3.199 24.368 0.466 1.00 75.02 H new ATOM 0 HB2 MET A 82 -0.351 24.791 1.403 1.00 32.14 H new ATOM 0 HB3 MET A 82 -0.687 23.928 -0.085 1.00 32.14 H new ATOM 0 HG2 MET A 82 -2.230 26.355 -0.084 1.00 11.25 H new ATOM 0 HG3 MET A 82 -0.580 26.752 0.353 1.00 11.25 H new ATOM 0 HE1 MET A 82 0.331 27.586 -3.178 1.00 54.23 H new ATOM 0 HE2 MET A 82 -0.780 28.263 -1.964 1.00 54.23 H new ATOM 0 HE3 MET A 82 0.821 27.664 -1.469 1.00 54.23 H new ATOM 1264 N ALA A 83 -2.002 22.325 2.691 1.00 65.23 N ATOM 1265 CA ALA A 83 -1.896 20.923 3.074 1.00 41.02 C ATOM 1266 C ALA A 83 -3.236 20.210 2.926 1.00 71.13 C ATOM 1267 O ALA A 83 -3.346 19.218 2.205 1.00 74.42 O ATOM 1268 CB ALA A 83 -1.387 20.803 4.503 1.00 42.33 C ATOM 0 H ALA A 83 -1.813 22.984 3.446 1.00 65.23 H new ATOM 0 HA ALA A 83 -1.183 20.442 2.404 1.00 41.02 H new ATOM 0 HB1 ALA A 83 -1.313 19.750 4.776 1.00 42.33 H new ATOM 0 HB2 ALA A 83 -0.404 21.268 4.579 1.00 42.33 H new ATOM 0 HB3 ALA A 83 -2.079 21.305 5.179 1.00 42.33 H new ATOM 1274 N ILE A 84 -4.252 20.721 3.614 1.00 62.12 N ATOM 1275 CA ILE A 84 -5.585 20.133 3.558 1.00 75.41 C ATOM 1276 C ILE A 84 -6.163 20.215 2.150 1.00 13.01 C ATOM 1277 O ILE A 84 -6.816 19.284 1.680 1.00 63.54 O ATOM 1278 CB ILE A 84 -6.548 20.826 4.539 1.00 14.40 C ATOM 1279 CG1 ILE A 84 -7.941 20.202 4.446 1.00 5.53 C ATOM 1280 CG2 ILE A 84 -6.609 22.319 4.253 1.00 40.42 C ATOM 1281 CD1 ILE A 84 -8.788 20.427 5.680 1.00 23.32 C ATOM 0 H ILE A 84 -4.177 21.541 4.216 1.00 62.12 H new ATOM 0 HA ILE A 84 -5.481 19.086 3.844 1.00 75.41 H new ATOM 0 HB ILE A 84 -6.175 20.685 5.554 1.00 14.40 H new ATOM 0 HG12 ILE A 84 -8.458 20.615 3.580 1.00 5.53 H new ATOM 0 HG13 ILE A 84 -7.839 19.130 4.275 1.00 5.53 H new ATOM 0 HG21 ILE A 84 -7.294 22.796 4.954 1.00 40.42 H new ATOM 0 HG22 ILE A 84 -5.615 22.752 4.365 1.00 40.42 H new ATOM 0 HG23 ILE A 84 -6.962 22.480 3.234 1.00 40.42 H new ATOM 0 HD11 ILE A 84 -9.762 19.957 5.543 1.00 23.32 H new ATOM 0 HD12 ILE A 84 -8.292 19.989 6.546 1.00 23.32 H new ATOM 0 HD13 ILE A 84 -8.921 21.497 5.840 1.00 23.32 H new ATOM 1293 N VAL A 85 -5.918 21.337 1.480 1.00 43.44 N ATOM 1294 CA VAL A 85 -6.413 21.541 0.124 1.00 72.11 C ATOM 1295 C VAL A 85 -5.791 20.541 -0.844 1.00 33.05 C ATOM 1296 O VAL A 85 -6.387 20.191 -1.863 1.00 42.43 O ATOM 1297 CB VAL A 85 -6.119 22.969 -0.371 1.00 11.44 C ATOM 1298 CG1 VAL A 85 -6.552 23.132 -1.821 1.00 74.21 C ATOM 1299 CG2 VAL A 85 -6.809 23.994 0.518 1.00 33.44 C ATOM 0 H VAL A 85 -5.380 22.118 1.854 1.00 43.44 H new ATOM 0 HA VAL A 85 -7.492 21.390 0.154 1.00 72.11 H new ATOM 0 HB VAL A 85 -5.044 23.139 -0.316 1.00 11.44 H new ATOM 0 HG11 VAL A 85 -6.336 24.148 -2.153 1.00 74.21 H new ATOM 0 HG12 VAL A 85 -6.008 22.423 -2.445 1.00 74.21 H new ATOM 0 HG13 VAL A 85 -7.622 22.943 -1.905 1.00 74.21 H new ATOM 0 HG21 VAL A 85 -6.590 24.998 0.153 1.00 33.44 H new ATOM 0 HG22 VAL A 85 -7.886 23.827 0.498 1.00 33.44 H new ATOM 0 HG23 VAL A 85 -6.445 23.892 1.541 1.00 33.44 H new ATOM 1309 N THR A 86 -4.586 20.083 -0.520 1.00 31.14 N ATOM 1310 CA THR A 86 -3.881 19.124 -1.360 1.00 70.30 C ATOM 1311 C THR A 86 -4.448 17.719 -1.187 1.00 43.41 C ATOM 1312 O THR A 86 -4.853 17.079 -2.158 1.00 73.23 O ATOM 1313 CB THR A 86 -2.374 19.099 -1.043 1.00 60.43 C ATOM 1314 OG1 THR A 86 -1.776 20.348 -1.406 1.00 34.24 O ATOM 1315 CG2 THR A 86 -1.683 17.965 -1.786 1.00 34.03 C ATOM 0 H THR A 86 -4.078 20.361 0.319 1.00 31.14 H new ATOM 0 HA THR A 86 -4.022 19.446 -2.392 1.00 70.30 H new ATOM 0 HB THR A 86 -2.253 18.937 0.028 1.00 60.43 H new ATOM 0 HG1 THR A 86 -2.147 21.063 -0.847 1.00 34.24 H new ATOM 0 HG21 THR A 86 -0.620 17.968 -1.546 1.00 34.03 H new ATOM 0 HG22 THR A 86 -2.120 17.013 -1.485 1.00 34.03 H new ATOM 0 HG23 THR A 86 -1.813 18.101 -2.860 1.00 34.03 H new ATOM 1323 N LEU A 87 -4.476 17.247 0.055 1.00 21.11 N ATOM 1324 CA LEU A 87 -4.995 15.917 0.356 1.00 0.04 C ATOM 1325 C LEU A 87 -6.416 15.755 -0.174 1.00 24.31 C ATOM 1326 O LEU A 87 -6.824 14.661 -0.563 1.00 70.31 O ATOM 1327 CB LEU A 87 -4.971 15.669 1.864 1.00 74.50 C ATOM 1328 CG LEU A 87 -4.147 14.468 2.333 1.00 52.51 C ATOM 1329 CD1 LEU A 87 -4.813 13.168 1.914 1.00 54.02 C ATOM 1330 CD2 LEU A 87 -2.730 14.545 1.783 1.00 5.31 C ATOM 0 H LEU A 87 -4.146 17.765 0.869 1.00 21.11 H new ATOM 0 HA LEU A 87 -4.357 15.184 -0.137 1.00 0.04 H new ATOM 0 HB2 LEU A 87 -4.584 16.563 2.353 1.00 74.50 H new ATOM 0 HB3 LEU A 87 -5.997 15.537 2.207 1.00 74.50 H new ATOM 0 HG LEU A 87 -4.094 14.491 3.421 1.00 52.51 H new ATOM 0 HD11 LEU A 87 -4.213 12.325 2.256 1.00 54.02 H new ATOM 0 HD12 LEU A 87 -5.807 13.109 2.357 1.00 54.02 H new ATOM 0 HD13 LEU A 87 -4.897 13.136 0.828 1.00 54.02 H new ATOM 0 HD21 LEU A 87 -2.159 13.683 2.127 1.00 5.31 H new ATOM 0 HD22 LEU A 87 -2.762 14.548 0.693 1.00 5.31 H new ATOM 0 HD23 LEU A 87 -2.253 15.460 2.134 1.00 5.31 H new ATOM 1342 N LYS A 88 -7.165 16.852 -0.190 1.00 23.24 N ATOM 1343 CA LYS A 88 -8.539 16.834 -0.676 1.00 5.30 C ATOM 1344 C LYS A 88 -8.578 16.712 -2.197 1.00 11.10 C ATOM 1345 O LYS A 88 -9.054 15.714 -2.737 1.00 25.42 O ATOM 1346 CB LYS A 88 -9.274 18.103 -0.239 1.00 13.52 C ATOM 1347 CG LYS A 88 -10.403 17.843 0.744 1.00 45.21 C ATOM 1348 CD LYS A 88 -10.393 18.849 1.883 1.00 52.15 C ATOM 1349 CE LYS A 88 -11.709 18.837 2.648 1.00 3.13 C ATOM 1350 NZ LYS A 88 -11.564 19.424 4.009 1.00 74.13 N ATOM 0 H LYS A 88 -6.843 17.766 0.129 1.00 23.24 H new ATOM 0 HA LYS A 88 -9.037 15.965 -0.246 1.00 5.30 H new ATOM 0 HB2 LYS A 88 -8.559 18.789 0.215 1.00 13.52 H new ATOM 0 HB3 LYS A 88 -9.678 18.601 -1.120 1.00 13.52 H new ATOM 0 HG2 LYS A 88 -11.359 17.892 0.223 1.00 45.21 H new ATOM 0 HG3 LYS A 88 -10.311 16.835 1.147 1.00 45.21 H new ATOM 0 HD2 LYS A 88 -9.573 18.621 2.564 1.00 52.15 H new ATOM 0 HD3 LYS A 88 -10.210 19.848 1.486 1.00 52.15 H new ATOM 0 HE2 LYS A 88 -12.459 19.396 2.089 1.00 3.13 H new ATOM 0 HE3 LYS A 88 -12.072 17.812 2.731 1.00 3.13 H new ATOM 0 HZ1 LYS A 88 -12.506 19.617 4.406 1.00 74.13 H new ATOM 0 HZ2 LYS A 88 -11.060 18.754 4.624 1.00 74.13 H new ATOM 0 HZ3 LYS A 88 -11.025 20.312 3.949 1.00 74.13 H new ATOM 1364 N VAL A 89 -8.071 17.733 -2.881 1.00 45.13 N ATOM 1365 CA VAL A 89 -8.045 17.738 -4.339 1.00 20.53 C ATOM 1366 C VAL A 89 -7.327 16.506 -4.880 1.00 4.11 C ATOM 1367 O VAL A 89 -7.575 16.075 -6.006 1.00 32.42 O ATOM 1368 CB VAL A 89 -7.354 19.002 -4.884 1.00 51.43 C ATOM 1369 CG1 VAL A 89 -5.872 18.990 -4.542 1.00 53.51 C ATOM 1370 CG2 VAL A 89 -7.561 19.117 -6.386 1.00 41.44 C ATOM 0 H VAL A 89 -7.673 18.567 -2.449 1.00 45.13 H new ATOM 0 HA VAL A 89 -9.082 17.727 -4.674 1.00 20.53 H new ATOM 0 HB VAL A 89 -7.805 19.874 -4.410 1.00 51.43 H new ATOM 0 HG11 VAL A 89 -5.401 19.891 -4.935 1.00 53.51 H new ATOM 0 HG12 VAL A 89 -5.749 18.959 -3.459 1.00 53.51 H new ATOM 0 HG13 VAL A 89 -5.403 18.112 -4.986 1.00 53.51 H new ATOM 0 HG21 VAL A 89 -7.066 20.016 -6.754 1.00 41.44 H new ATOM 0 HG22 VAL A 89 -7.138 18.242 -6.880 1.00 41.44 H new ATOM 0 HG23 VAL A 89 -8.628 19.176 -6.603 1.00 41.44 H new ATOM 1380 N PHE A 90 -6.437 15.944 -4.070 1.00 34.20 N ATOM 1381 CA PHE A 90 -5.681 14.761 -4.467 1.00 41.12 C ATOM 1382 C PHE A 90 -6.537 13.503 -4.346 1.00 0.34 C ATOM 1383 O PHE A 90 -6.462 12.606 -5.185 1.00 1.14 O ATOM 1384 CB PHE A 90 -4.423 14.621 -3.608 1.00 10.51 C ATOM 1385 CG PHE A 90 -3.608 13.402 -3.933 1.00 41.52 C ATOM 1386 CD1 PHE A 90 -3.577 12.322 -3.066 1.00 74.43 C ATOM 1387 CD2 PHE A 90 -2.872 13.337 -5.105 1.00 41.33 C ATOM 1388 CE1 PHE A 90 -2.828 11.198 -3.361 1.00 3.13 C ATOM 1389 CE2 PHE A 90 -2.122 12.216 -5.407 1.00 11.21 C ATOM 1390 CZ PHE A 90 -2.099 11.146 -4.533 1.00 20.41 C ATOM 0 H PHE A 90 -6.221 16.288 -3.134 1.00 34.20 H new ATOM 0 HA PHE A 90 -5.388 14.881 -5.510 1.00 41.12 H new ATOM 0 HB2 PHE A 90 -3.803 15.508 -3.738 1.00 10.51 H new ATOM 0 HB3 PHE A 90 -4.712 14.586 -2.558 1.00 10.51 H new ATOM 0 HD1 PHE A 90 -4.145 12.359 -2.148 1.00 74.43 H new ATOM 0 HD2 PHE A 90 -2.884 14.172 -5.790 1.00 41.33 H new ATOM 0 HE1 PHE A 90 -2.813 10.363 -2.677 1.00 3.13 H new ATOM 0 HE2 PHE A 90 -1.555 12.176 -6.325 1.00 11.21 H new ATOM 0 HZ PHE A 90 -1.512 10.270 -4.766 1.00 20.41 H new ATOM 1400 N ALA A 91 -7.348 13.447 -3.296 1.00 51.03 N ATOM 1401 CA ALA A 91 -8.219 12.301 -3.065 1.00 53.23 C ATOM 1402 C ALA A 91 -9.350 12.256 -4.087 1.00 31.11 C ATOM 1403 O ALA A 91 -9.655 11.201 -4.644 1.00 45.03 O ATOM 1404 CB ALA A 91 -8.783 12.343 -1.652 1.00 70.42 C ATOM 0 H ALA A 91 -7.421 14.181 -2.592 1.00 51.03 H new ATOM 0 HA ALA A 91 -7.624 11.395 -3.180 1.00 53.23 H new ATOM 0 HB1 ALA A 91 -9.432 11.481 -1.493 1.00 70.42 H new ATOM 0 HB2 ALA A 91 -7.964 12.318 -0.933 1.00 70.42 H new ATOM 0 HB3 ALA A 91 -9.357 13.259 -1.517 1.00 70.42 H new ATOM 1410 N VAL A 92 -9.970 13.407 -4.329 1.00 73.33 N ATOM 1411 CA VAL A 92 -11.067 13.499 -5.284 1.00 73.50 C ATOM 1412 C VAL A 92 -10.568 13.313 -6.713 1.00 43.14 C ATOM 1413 O VAL A 92 -11.082 12.479 -7.457 1.00 73.32 O ATOM 1414 CB VAL A 92 -11.793 14.854 -5.177 1.00 74.43 C ATOM 1415 CG1 VAL A 92 -13.040 14.860 -6.046 1.00 2.43 C ATOM 1416 CG2 VAL A 92 -12.141 15.158 -3.727 1.00 20.43 C ATOM 0 H VAL A 92 -9.731 14.289 -3.876 1.00 73.33 H new ATOM 0 HA VAL A 92 -11.767 12.700 -5.040 1.00 73.50 H new ATOM 0 HB VAL A 92 -11.124 15.636 -5.538 1.00 74.43 H new ATOM 0 HG11 VAL A 92 -13.540 15.825 -5.958 1.00 2.43 H new ATOM 0 HG12 VAL A 92 -12.760 14.690 -7.086 1.00 2.43 H new ATOM 0 HG13 VAL A 92 -13.716 14.070 -5.718 1.00 2.43 H new ATOM 0 HG21 VAL A 92 -12.653 16.118 -3.669 1.00 20.43 H new ATOM 0 HG22 VAL A 92 -12.792 14.376 -3.337 1.00 20.43 H new ATOM 0 HG23 VAL A 92 -11.227 15.198 -3.134 1.00 20.43 H new ATOM 1426 N ALA A 93 -9.564 14.098 -7.089 1.00 65.42 N ATOM 1427 CA ALA A 93 -8.994 14.018 -8.429 1.00 32.13 C ATOM 1428 C ALA A 93 -8.159 12.754 -8.596 1.00 62.15 C ATOM 1429 O ALA A 93 -7.803 12.376 -9.711 1.00 23.20 O ATOM 1430 CB ALA A 93 -8.150 15.251 -8.717 1.00 1.52 C ATOM 0 H ALA A 93 -9.129 14.796 -6.486 1.00 65.42 H new ATOM 0 HA ALA A 93 -9.815 13.977 -9.144 1.00 32.13 H new ATOM 0 HB1 ALA A 93 -7.730 15.178 -9.720 1.00 1.52 H new ATOM 0 HB2 ALA A 93 -8.773 16.143 -8.648 1.00 1.52 H new ATOM 0 HB3 ALA A 93 -7.341 15.316 -7.989 1.00 1.52 H new ATOM 1436 N GLY A 94 -7.850 12.102 -7.479 1.00 74.01 N ATOM 1437 CA GLY A 94 -7.059 10.886 -7.524 1.00 31.33 C ATOM 1438 C GLY A 94 -7.906 9.638 -7.380 1.00 73.25 C ATOM 1439 O GLY A 94 -8.190 8.953 -8.364 1.00 71.14 O ATOM 0 H GLY A 94 -8.133 12.394 -6.544 1.00 74.01 H new ATOM 0 HA2 GLY A 94 -6.515 10.845 -8.467 1.00 31.33 H new ATOM 0 HA3 GLY A 94 -6.315 10.910 -6.728 1.00 31.33 H new ATOM 1443 N LEU A 95 -8.309 9.337 -6.149 1.00 4.23 N ATOM 1444 CA LEU A 95 -9.127 8.161 -5.878 1.00 23.42 C ATOM 1445 C LEU A 95 -10.448 8.229 -6.638 1.00 20.52 C ATOM 1446 O LEU A 95 -10.847 7.269 -7.300 1.00 61.02 O ATOM 1447 CB LEU A 95 -9.396 8.036 -4.378 1.00 35.21 C ATOM 1448 CG LEU A 95 -8.247 7.480 -3.535 1.00 74.32 C ATOM 1449 CD1 LEU A 95 -7.820 6.115 -4.049 1.00 22.54 C ATOM 1450 CD2 LEU A 95 -7.070 8.444 -3.534 1.00 12.31 C ATOM 0 H LEU A 95 -8.082 9.892 -5.324 1.00 4.23 H new ATOM 0 HA LEU A 95 -8.578 7.282 -6.217 1.00 23.42 H new ATOM 0 HB2 LEU A 95 -9.659 9.021 -3.993 1.00 35.21 H new ATOM 0 HB3 LEU A 95 -10.267 7.396 -4.237 1.00 35.21 H new ATOM 0 HG LEU A 95 -8.597 7.366 -2.509 1.00 74.32 H new ATOM 0 HD11 LEU A 95 -7.002 5.735 -3.437 1.00 22.54 H new ATOM 0 HD12 LEU A 95 -8.663 5.426 -3.996 1.00 22.54 H new ATOM 0 HD13 LEU A 95 -7.489 6.203 -5.084 1.00 22.54 H new ATOM 0 HD21 LEU A 95 -6.262 8.032 -2.929 1.00 12.31 H new ATOM 0 HD22 LEU A 95 -6.720 8.591 -4.556 1.00 12.31 H new ATOM 0 HD23 LEU A 95 -7.384 9.401 -3.116 1.00 12.31 H new ATOM 1462 N LEU A 96 -11.121 9.370 -6.542 1.00 65.32 N ATOM 1463 CA LEU A 96 -12.397 9.565 -7.223 1.00 71.04 C ATOM 1464 C LEU A 96 -12.185 9.853 -8.706 1.00 13.51 C ATOM 1465 O LEU A 96 -13.141 9.938 -9.475 1.00 54.12 O ATOM 1466 CB LEU A 96 -13.173 10.713 -6.573 1.00 24.05 C ATOM 1467 CG LEU A 96 -14.624 10.413 -6.197 1.00 14.10 C ATOM 1468 CD1 LEU A 96 -14.684 9.367 -5.095 1.00 64.24 C ATOM 1469 CD2 LEU A 96 -15.337 11.687 -5.765 1.00 54.01 C ATOM 0 H LEU A 96 -10.805 10.174 -6.000 1.00 65.32 H new ATOM 0 HA LEU A 96 -12.975 8.646 -7.131 1.00 71.04 H new ATOM 0 HB2 LEU A 96 -12.641 11.020 -5.673 1.00 24.05 H new ATOM 0 HB3 LEU A 96 -13.164 11.563 -7.255 1.00 24.05 H new ATOM 0 HG LEU A 96 -15.133 10.015 -7.075 1.00 14.10 H new ATOM 0 HD11 LEU A 96 -15.725 9.166 -4.840 1.00 64.24 H new ATOM 0 HD12 LEU A 96 -14.211 8.448 -5.440 1.00 64.24 H new ATOM 0 HD13 LEU A 96 -14.160 9.736 -4.214 1.00 64.24 H new ATOM 0 HD21 LEU A 96 -16.369 11.455 -5.501 1.00 54.01 H new ATOM 0 HD22 LEU A 96 -14.828 12.113 -4.900 1.00 54.01 H new ATOM 0 HD23 LEU A 96 -15.325 12.406 -6.584 1.00 54.01 H new ATOM 1481 N ASN A 97 -10.924 10.002 -9.099 1.00 43.30 N ATOM 1482 CA ASN A 97 -10.586 10.279 -10.491 1.00 52.43 C ATOM 1483 C ASN A 97 -11.398 11.456 -11.024 1.00 34.11 C ATOM 1484 O ASN A 97 -11.715 11.517 -12.211 1.00 11.14 O ATOM 1485 CB ASN A 97 -10.835 9.041 -11.354 1.00 73.20 C ATOM 1486 CG ASN A 97 -9.845 8.925 -12.497 1.00 51.31 C ATOM 1487 OD1 ASN A 97 -10.232 8.858 -13.664 1.00 4.44 O ATOM 1488 ND2 ASN A 97 -8.559 8.901 -12.166 1.00 40.25 N ATOM 0 H ASN A 97 -10.120 9.936 -8.474 1.00 43.30 H new ATOM 0 HA ASN A 97 -9.529 10.539 -10.537 1.00 52.43 H new ATOM 0 HB2 ASN A 97 -10.773 8.149 -10.731 1.00 73.20 H new ATOM 0 HB3 ASN A 97 -11.847 9.079 -11.756 1.00 73.20 H new ATOM 0 HD21 ASN A 97 -7.847 8.824 -12.892 1.00 40.25 H new ATOM 0 HD22 ASN A 97 -8.284 8.959 -11.186 1.00 40.25 H new ATOM 1495 N MET A 98 -11.729 12.389 -10.137 1.00 21.31 N ATOM 1496 CA MET A 98 -12.502 13.565 -10.519 1.00 1.31 C ATOM 1497 C MET A 98 -11.649 14.537 -11.327 1.00 24.33 C ATOM 1498 O MET A 98 -10.419 14.471 -11.302 1.00 64.23 O ATOM 1499 CB MET A 98 -13.053 14.265 -9.276 1.00 14.30 C ATOM 1500 CG MET A 98 -14.402 13.731 -8.824 1.00 45.41 C ATOM 1501 SD MET A 98 -15.558 15.043 -8.382 1.00 60.30 S ATOM 1502 CE MET A 98 -17.107 14.329 -8.928 1.00 33.14 C ATOM 0 H MET A 98 -11.474 12.353 -9.150 1.00 21.31 H new ATOM 0 HA MET A 98 -13.334 13.235 -11.141 1.00 1.31 H new ATOM 0 HB2 MET A 98 -12.337 14.157 -8.461 1.00 14.30 H new ATOM 0 HB3 MET A 98 -13.144 15.332 -9.480 1.00 14.30 H new ATOM 0 HG2 MET A 98 -14.834 13.125 -9.621 1.00 45.41 H new ATOM 0 HG3 MET A 98 -14.259 13.074 -7.966 1.00 45.41 H new ATOM 0 HE1 MET A 98 -17.921 15.024 -8.722 1.00 33.14 H new ATOM 0 HE2 MET A 98 -17.060 14.133 -9.999 1.00 33.14 H new ATOM 0 HE3 MET A 98 -17.285 13.395 -8.396 1.00 33.14 H new ATOM 1512 N THR A 99 -12.309 15.441 -12.046 1.00 54.14 N ATOM 1513 CA THR A 99 -11.611 16.425 -12.863 1.00 14.04 C ATOM 1514 C THR A 99 -11.760 17.827 -12.282 1.00 0.11 C ATOM 1515 O THR A 99 -12.225 18.745 -12.960 1.00 74.43 O ATOM 1516 CB THR A 99 -12.133 16.424 -14.312 1.00 42.35 C ATOM 1517 OG1 THR A 99 -13.557 16.269 -14.319 1.00 62.12 O ATOM 1518 CG2 THR A 99 -11.492 15.305 -15.118 1.00 13.32 C ATOM 0 H THR A 99 -13.326 15.511 -12.078 1.00 54.14 H new ATOM 0 HA THR A 99 -10.558 16.145 -12.864 1.00 14.04 H new ATOM 0 HB THR A 99 -11.869 17.377 -14.771 1.00 42.35 H new ATOM 0 HG1 THR A 99 -13.882 16.271 -15.244 1.00 62.12 H new ATOM 0 HG21 THR A 99 -11.876 15.325 -16.138 1.00 13.32 H new ATOM 0 HG22 THR A 99 -10.411 15.442 -15.135 1.00 13.32 H new ATOM 0 HG23 THR A 99 -11.729 14.345 -14.660 1.00 13.32 H new ATOM 1526 N VAL A 100 -11.362 17.987 -11.024 1.00 13.43 N ATOM 1527 CA VAL A 100 -11.449 19.279 -10.353 1.00 72.14 C ATOM 1528 C VAL A 100 -10.801 20.377 -11.187 1.00 53.30 C ATOM 1529 O VAL A 100 -9.796 20.148 -11.860 1.00 70.11 O ATOM 1530 CB VAL A 100 -10.778 19.237 -8.968 1.00 75.04 C ATOM 1531 CG1 VAL A 100 -10.856 20.600 -8.295 1.00 44.24 C ATOM 1532 CG2 VAL A 100 -11.419 18.166 -8.097 1.00 11.21 C ATOM 0 H VAL A 100 -10.976 17.238 -10.449 1.00 13.43 H new ATOM 0 HA VAL A 100 -12.509 19.501 -10.229 1.00 72.14 H new ATOM 0 HB VAL A 100 -9.726 18.983 -9.101 1.00 75.04 H new ATOM 0 HG11 VAL A 100 -10.377 20.551 -7.317 1.00 44.24 H new ATOM 0 HG12 VAL A 100 -10.347 21.340 -8.912 1.00 44.24 H new ATOM 0 HG13 VAL A 100 -11.901 20.886 -8.173 1.00 44.24 H new ATOM 0 HG21 VAL A 100 -10.932 18.151 -7.122 1.00 11.21 H new ATOM 0 HG22 VAL A 100 -12.479 18.387 -7.970 1.00 11.21 H new ATOM 0 HG23 VAL A 100 -11.306 17.193 -8.575 1.00 11.21 H new ATOM 1542 N SER A 101 -11.382 21.572 -11.138 1.00 75.54 N ATOM 1543 CA SER A 101 -10.863 22.706 -11.892 1.00 10.21 C ATOM 1544 C SER A 101 -9.961 23.572 -11.018 1.00 71.04 C ATOM 1545 O SER A 101 -8.986 24.156 -11.496 1.00 64.04 O ATOM 1546 CB SER A 101 -12.014 23.547 -12.448 1.00 34.10 C ATOM 1547 OG SER A 101 -12.148 23.368 -13.847 1.00 32.43 O ATOM 0 H SER A 101 -12.213 21.779 -10.584 1.00 75.54 H new ATOM 0 HA SER A 101 -10.272 22.319 -12.722 1.00 10.21 H new ATOM 0 HB2 SER A 101 -12.944 23.269 -11.952 1.00 34.10 H new ATOM 0 HB3 SER A 101 -11.838 24.600 -12.228 1.00 34.10 H new ATOM 0 HG SER A 101 -12.891 23.915 -14.177 1.00 32.43 H new ATOM 1553 N THR A 102 -10.291 23.652 -9.733 1.00 42.35 N ATOM 1554 CA THR A 102 -9.514 24.447 -8.792 1.00 54.41 C ATOM 1555 C THR A 102 -9.408 23.750 -7.441 1.00 54.44 C ATOM 1556 O THR A 102 -10.364 23.131 -6.973 1.00 21.44 O ATOM 1557 CB THR A 102 -10.134 25.843 -8.589 1.00 51.04 C ATOM 1558 OG1 THR A 102 -11.325 25.741 -7.800 1.00 65.43 O ATOM 1559 CG2 THR A 102 -10.459 26.489 -9.926 1.00 4.41 C ATOM 0 H THR A 102 -11.092 23.175 -9.320 1.00 42.35 H new ATOM 0 HA THR A 102 -8.518 24.559 -9.220 1.00 54.41 H new ATOM 0 HB THR A 102 -9.407 26.467 -8.069 1.00 51.04 H new ATOM 0 HG1 THR A 102 -11.712 26.633 -7.674 1.00 65.43 H new ATOM 0 HG21 THR A 102 -10.896 27.473 -9.758 1.00 4.41 H new ATOM 0 HG22 THR A 102 -9.546 26.592 -10.512 1.00 4.41 H new ATOM 0 HG23 THR A 102 -11.169 25.865 -10.469 1.00 4.41 H new ATOM 1567 N ALA A 103 -8.240 23.854 -6.816 1.00 12.13 N ATOM 1568 CA ALA A 103 -8.009 23.236 -5.516 1.00 75.24 C ATOM 1569 C ALA A 103 -9.106 23.615 -4.526 1.00 61.31 C ATOM 1570 O ALA A 103 -9.492 22.812 -3.677 1.00 13.23 O ATOM 1571 CB ALA A 103 -6.645 23.638 -4.974 1.00 64.12 C ATOM 0 H ALA A 103 -7.438 24.361 -7.190 1.00 12.13 H new ATOM 0 HA ALA A 103 -8.031 22.154 -5.647 1.00 75.24 H new ATOM 0 HB1 ALA A 103 -6.487 23.169 -4.003 1.00 64.12 H new ATOM 0 HB2 ALA A 103 -5.868 23.312 -5.666 1.00 64.12 H new ATOM 0 HB3 ALA A 103 -6.602 24.722 -4.865 1.00 64.12 H new ATOM 1577 N ALA A 104 -9.603 24.842 -4.642 1.00 33.50 N ATOM 1578 CA ALA A 104 -10.656 25.326 -3.757 1.00 61.12 C ATOM 1579 C ALA A 104 -11.932 24.508 -3.925 1.00 54.52 C ATOM 1580 O ALA A 104 -12.506 24.029 -2.947 1.00 44.12 O ATOM 1581 CB ALA A 104 -10.932 26.799 -4.022 1.00 63.42 C ATOM 0 H ALA A 104 -9.294 25.519 -5.340 1.00 33.50 H new ATOM 0 HA ALA A 104 -10.314 25.211 -2.728 1.00 61.12 H new ATOM 0 HB1 ALA A 104 -11.720 27.147 -3.354 1.00 63.42 H new ATOM 0 HB2 ALA A 104 -10.025 27.377 -3.845 1.00 63.42 H new ATOM 0 HB3 ALA A 104 -11.249 26.929 -5.057 1.00 63.42 H new ATOM 1587 N ALA A 105 -12.371 24.352 -5.169 1.00 31.35 N ATOM 1588 CA ALA A 105 -13.579 23.591 -5.464 1.00 21.13 C ATOM 1589 C ALA A 105 -13.470 22.164 -4.939 1.00 13.22 C ATOM 1590 O ALA A 105 -14.453 21.588 -4.472 1.00 11.11 O ATOM 1591 CB ALA A 105 -13.845 23.585 -6.963 1.00 52.52 C ATOM 0 H ALA A 105 -11.908 24.743 -5.990 1.00 31.35 H new ATOM 0 HA ALA A 105 -14.416 24.073 -4.959 1.00 21.13 H new ATOM 0 HB1 ALA A 105 -14.750 23.013 -7.170 1.00 52.52 H new ATOM 0 HB2 ALA A 105 -13.975 24.609 -7.314 1.00 52.52 H new ATOM 0 HB3 ALA A 105 -13.001 23.128 -7.480 1.00 52.52 H new ATOM 1597 N ALA A 106 -12.270 21.599 -5.017 1.00 23.31 N ATOM 1598 CA ALA A 106 -12.034 20.239 -4.548 1.00 15.02 C ATOM 1599 C ALA A 106 -12.310 20.119 -3.053 1.00 52.23 C ATOM 1600 O ALA A 106 -13.078 19.259 -2.622 1.00 21.01 O ATOM 1601 CB ALA A 106 -10.606 19.814 -4.858 1.00 12.33 C ATOM 0 H ALA A 106 -11.446 22.062 -5.401 1.00 23.31 H new ATOM 0 HA ALA A 106 -12.721 19.576 -5.073 1.00 15.02 H new ATOM 0 HB1 ALA A 106 -10.444 18.797 -4.502 1.00 12.33 H new ATOM 0 HB2 ALA A 106 -10.440 19.853 -5.935 1.00 12.33 H new ATOM 0 HB3 ALA A 106 -9.909 20.488 -4.359 1.00 12.33 H new ATOM 1607 N GLU A 107 -11.680 20.986 -2.267 1.00 2.23 N ATOM 1608 CA GLU A 107 -11.858 20.975 -0.820 1.00 22.32 C ATOM 1609 C GLU A 107 -13.320 21.213 -0.450 1.00 21.23 C ATOM 1610 O GLU A 107 -13.910 20.450 0.313 1.00 23.53 O ATOM 1611 CB GLU A 107 -10.975 22.039 -0.166 1.00 23.14 C ATOM 1612 CG GLU A 107 -11.255 22.238 1.314 1.00 62.11 C ATOM 1613 CD GLU A 107 -11.875 23.589 1.613 1.00 45.25 C ATOM 1614 OE1 GLU A 107 -11.119 24.577 1.721 1.00 45.13 O ATOM 1615 OE2 GLU A 107 -13.116 23.658 1.740 1.00 54.25 O ATOM 0 H GLU A 107 -11.042 21.705 -2.608 1.00 2.23 H new ATOM 0 HA GLU A 107 -11.563 19.993 -0.451 1.00 22.32 H new ATOM 0 HB2 GLU A 107 -9.929 21.760 -0.295 1.00 23.14 H new ATOM 0 HB3 GLU A 107 -11.118 22.987 -0.685 1.00 23.14 H new ATOM 0 HG2 GLU A 107 -11.923 21.450 1.663 1.00 62.11 H new ATOM 0 HG3 GLU A 107 -10.325 22.138 1.873 1.00 62.11 H new ATOM 1622 N ASN A 108 -13.896 22.279 -0.996 1.00 10.03 N ATOM 1623 CA ASN A 108 -15.287 22.621 -0.723 1.00 62.13 C ATOM 1624 C ASN A 108 -16.209 21.450 -1.052 1.00 74.30 C ATOM 1625 O ASN A 108 -17.264 21.287 -0.440 1.00 72.40 O ATOM 1626 CB ASN A 108 -15.700 23.852 -1.532 1.00 42.01 C ATOM 1627 CG ASN A 108 -15.260 25.147 -0.878 1.00 51.21 C ATOM 1628 OD1 ASN A 108 -14.287 25.771 -1.301 1.00 41.23 O ATOM 1629 ND2 ASN A 108 -15.978 25.559 0.161 1.00 72.34 N ATOM 0 H ASN A 108 -13.421 22.921 -1.630 1.00 10.03 H new ATOM 0 HA ASN A 108 -15.378 22.846 0.340 1.00 62.13 H new ATOM 0 HB2 ASN A 108 -15.269 23.788 -2.531 1.00 42.01 H new ATOM 0 HB3 ASN A 108 -16.783 23.858 -1.652 1.00 42.01 H new ATOM 0 HD21 ASN A 108 -15.730 26.424 0.641 1.00 72.34 H new ATOM 0 HD22 ASN A 108 -16.777 25.010 0.478 1.00 72.34 H new ATOM 1636 N MET A 109 -15.800 20.637 -2.021 1.00 41.25 N ATOM 1637 CA MET A 109 -16.589 19.480 -2.429 1.00 33.20 C ATOM 1638 C MET A 109 -16.545 18.389 -1.364 1.00 62.31 C ATOM 1639 O MET A 109 -17.583 17.929 -0.889 1.00 23.21 O ATOM 1640 CB MET A 109 -16.075 18.930 -3.761 1.00 0.12 C ATOM 1641 CG MET A 109 -17.069 18.022 -4.467 1.00 32.34 C ATOM 1642 SD MET A 109 -16.382 16.395 -4.834 1.00 25.52 S ATOM 1643 CE MET A 109 -17.601 15.332 -4.064 1.00 63.00 C ATOM 0 H MET A 109 -14.929 20.758 -2.537 1.00 41.25 H new ATOM 0 HA MET A 109 -17.623 19.802 -2.552 1.00 33.20 H new ATOM 0 HB2 MET A 109 -15.827 19.764 -4.418 1.00 0.12 H new ATOM 0 HB3 MET A 109 -15.152 18.378 -3.585 1.00 0.12 H new ATOM 0 HG2 MET A 109 -17.956 17.906 -3.844 1.00 32.34 H new ATOM 0 HG3 MET A 109 -17.391 18.494 -5.395 1.00 32.34 H new ATOM 0 HE1 MET A 109 -17.385 14.292 -4.310 1.00 63.00 H new ATOM 0 HE2 MET A 109 -17.567 15.463 -2.982 1.00 63.00 H new ATOM 0 HE3 MET A 109 -18.594 15.592 -4.430 1.00 63.00 H new ATOM 1653 N TYR A 110 -15.337 17.978 -0.995 1.00 33.24 N ATOM 1654 CA TYR A 110 -15.158 16.938 0.012 1.00 13.43 C ATOM 1655 C TYR A 110 -15.941 17.267 1.280 1.00 30.33 C ATOM 1656 O TYR A 110 -16.452 16.375 1.955 1.00 61.33 O ATOM 1657 CB TYR A 110 -13.674 16.771 0.345 1.00 31.14 C ATOM 1658 CG TYR A 110 -13.271 15.339 0.611 1.00 21.43 C ATOM 1659 CD1 TYR A 110 -13.131 14.431 -0.432 1.00 51.14 C ATOM 1660 CD2 TYR A 110 -13.029 14.893 1.904 1.00 53.35 C ATOM 1661 CE1 TYR A 110 -12.764 13.121 -0.193 1.00 64.35 C ATOM 1662 CE2 TYR A 110 -12.660 13.585 2.152 1.00 13.45 C ATOM 1663 CZ TYR A 110 -12.529 12.703 1.101 1.00 22.24 C ATOM 1664 OH TYR A 110 -12.162 11.399 1.343 1.00 42.55 O ATOM 0 H TYR A 110 -14.467 18.349 -1.378 1.00 33.24 H new ATOM 0 HA TYR A 110 -15.540 16.002 -0.397 1.00 13.43 H new ATOM 0 HB2 TYR A 110 -13.079 17.160 -0.481 1.00 31.14 H new ATOM 0 HB3 TYR A 110 -13.436 17.375 1.221 1.00 31.14 H new ATOM 0 HD1 TYR A 110 -13.312 14.755 -1.446 1.00 51.14 H new ATOM 0 HD2 TYR A 110 -13.131 15.581 2.730 1.00 53.35 H new ATOM 0 HE1 TYR A 110 -12.661 12.427 -1.015 1.00 64.35 H new ATOM 0 HE2 TYR A 110 -12.475 13.255 3.164 1.00 13.45 H new ATOM 0 HH TYR A 110 -11.206 11.288 1.158 1.00 42.55 H new ATOM 1674 N SER A 111 -16.030 18.555 1.595 1.00 42.13 N ATOM 1675 CA SER A 111 -16.748 19.003 2.782 1.00 52.55 C ATOM 1676 C SER A 111 -18.239 19.158 2.491 1.00 35.25 C ATOM 1677 O SER A 111 -19.079 18.919 3.357 1.00 33.43 O ATOM 1678 CB SER A 111 -16.174 20.331 3.281 1.00 32.32 C ATOM 1679 OG SER A 111 -16.289 21.339 2.292 1.00 25.31 O ATOM 0 H SER A 111 -15.614 19.306 1.045 1.00 42.13 H new ATOM 0 HA SER A 111 -16.624 18.247 3.557 1.00 52.55 H new ATOM 0 HB2 SER A 111 -16.699 20.642 4.184 1.00 32.32 H new ATOM 0 HB3 SER A 111 -15.126 20.200 3.551 1.00 32.32 H new ATOM 0 HG SER A 111 -16.544 20.932 1.438 1.00 25.31 H new ATOM 1685 N GLN A 112 -18.556 19.559 1.264 1.00 22.15 N ATOM 1686 CA GLN A 112 -19.943 19.747 0.858 1.00 24.30 C ATOM 1687 C GLN A 112 -20.701 18.423 0.883 1.00 5.33 C ATOM 1688 O GLN A 112 -21.898 18.388 1.170 1.00 34.53 O ATOM 1689 CB GLN A 112 -20.009 20.359 -0.542 1.00 32.34 C ATOM 1690 CG GLN A 112 -20.111 21.875 -0.539 1.00 13.14 C ATOM 1691 CD GLN A 112 -21.503 22.368 -0.883 1.00 61.34 C ATOM 1692 OE1 GLN A 112 -22.500 21.841 -0.388 1.00 1.42 O ATOM 1693 NE2 GLN A 112 -21.579 23.383 -1.735 1.00 22.25 N ATOM 0 H GLN A 112 -17.872 19.760 0.535 1.00 22.15 H new ATOM 0 HA GLN A 112 -20.413 20.428 1.567 1.00 24.30 H new ATOM 0 HB2 GLN A 112 -19.121 20.064 -1.101 1.00 32.34 H new ATOM 0 HB3 GLN A 112 -20.869 19.946 -1.070 1.00 32.34 H new ATOM 0 HG2 GLN A 112 -19.829 22.252 0.444 1.00 13.14 H new ATOM 0 HG3 GLN A 112 -19.398 22.285 -1.254 1.00 13.14 H new ATOM 0 HE21 GLN A 112 -20.727 23.790 -2.121 1.00 22.25 H new ATOM 0 HE22 GLN A 112 -22.489 23.756 -2.004 1.00 22.25 H new ATOM 1702 N MET A 113 -19.997 17.338 0.579 1.00 71.35 N ATOM 1703 CA MET A 113 -20.604 16.012 0.567 1.00 50.50 C ATOM 1704 C MET A 113 -20.500 15.354 1.940 1.00 30.32 C ATOM 1705 O MET A 113 -20.839 14.183 2.105 1.00 12.20 O ATOM 1706 CB MET A 113 -19.933 15.129 -0.487 1.00 51.10 C ATOM 1707 CG MET A 113 -20.580 15.223 -1.859 1.00 41.02 C ATOM 1708 SD MET A 113 -21.513 13.741 -2.289 1.00 11.50 S ATOM 1709 CE MET A 113 -20.187 12.562 -2.529 1.00 15.43 C ATOM 0 H MET A 113 -19.006 17.351 0.338 1.00 71.35 H new ATOM 0 HA MET A 113 -21.659 16.125 0.317 1.00 50.50 H new ATOM 0 HB2 MET A 113 -18.883 15.410 -0.569 1.00 51.10 H new ATOM 0 HB3 MET A 113 -19.960 14.092 -0.152 1.00 51.10 H new ATOM 0 HG2 MET A 113 -21.245 16.086 -1.885 1.00 41.02 H new ATOM 0 HG3 MET A 113 -19.808 15.392 -2.610 1.00 41.02 H new ATOM 0 HE1 MET A 113 -20.283 12.102 -3.513 1.00 15.43 H new ATOM 0 HE2 MET A 113 -19.227 13.074 -2.460 1.00 15.43 H new ATOM 0 HE3 MET A 113 -20.243 11.791 -1.761 1.00 15.43 H new ATOM 1719 N GLY A 114 -20.027 16.116 2.922 1.00 40.43 N ATOM 1720 CA GLY A 114 -19.887 15.589 4.266 1.00 14.42 C ATOM 1721 C GLY A 114 -18.798 14.539 4.367 1.00 43.40 C ATOM 1722 O GLY A 114 -18.765 13.757 5.318 1.00 1.12 O ATOM 0 H GLY A 114 -19.739 17.088 2.810 1.00 40.43 H new ATOM 0 HA2 GLY A 114 -19.664 16.406 4.952 1.00 14.42 H new ATOM 0 HA3 GLY A 114 -20.835 15.156 4.584 1.00 14.42 H new ATOM 1726 N LEU A 115 -17.904 14.520 3.384 1.00 41.33 N ATOM 1727 CA LEU A 115 -16.809 13.558 3.364 1.00 74.13 C ATOM 1728 C LEU A 115 -15.711 13.961 4.343 1.00 53.35 C ATOM 1729 O LEU A 115 -14.960 13.117 4.832 1.00 34.10 O ATOM 1730 CB LEU A 115 -16.231 13.440 1.953 1.00 4.44 C ATOM 1731 CG LEU A 115 -17.246 13.463 0.809 1.00 75.32 C ATOM 1732 CD1 LEU A 115 -16.535 13.482 -0.535 1.00 33.53 C ATOM 1733 CD2 LEU A 115 -18.180 12.265 0.902 1.00 22.02 C ATOM 0 H LEU A 115 -17.917 15.161 2.590 1.00 41.33 H new ATOM 0 HA LEU A 115 -17.205 12.590 3.669 1.00 74.13 H new ATOM 0 HB2 LEU A 115 -15.524 14.256 1.802 1.00 4.44 H new ATOM 0 HB3 LEU A 115 -15.664 12.511 1.891 1.00 4.44 H new ATOM 0 HG LEU A 115 -17.842 14.372 0.895 1.00 75.32 H new ATOM 0 HD11 LEU A 115 -17.273 13.498 -1.337 1.00 33.53 H new ATOM 0 HD12 LEU A 115 -15.907 14.370 -0.602 1.00 33.53 H new ATOM 0 HD13 LEU A 115 -15.915 12.591 -0.631 1.00 33.53 H new ATOM 0 HD21 LEU A 115 -18.896 12.297 0.081 1.00 22.02 H new ATOM 0 HD22 LEU A 115 -17.599 11.345 0.841 1.00 22.02 H new ATOM 0 HD23 LEU A 115 -18.715 12.294 1.851 1.00 22.02 H new