USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 749 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 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 -94:sc= 1.23 USER MOD Single : A 17 SER OG : rot 36:sc= 0.617 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot -90:sc= -0.647! USER MOD Single : A 46 THR OG1 : rot -13:sc= 0.696 USER MOD Single : A 56 THR OG1 : rot -101:sc= -0.228 USER MOD Single : A 59 GLN : amide:sc= -0.349 K(o=-0.35,f=-3.7!) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= 0.539 F(o=-0.12,f=0.54) USER MOD Single : A 73 LYS NZ :NH3+ -129:sc= -0.17 (180deg=-0.678) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.382 USER MOD Single : A 78 LYS NZ :NH3+ 156:sc= -0.0622 (180deg=-0.447) USER MOD Single : A 82 MET CE :methyl 172:sc= 0 (180deg=-0.0972) USER MOD Single : A 86 THR OG1 : rot -23:sc= 0.469 USER MOD Single : A 88 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00474) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.36) 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= -0.495 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.19 USER MOD Single : A 108 ASN :FLIP amide:sc= 0.657 F(o=0,f=0.66) USER MOD Single : A 109 MET CE :methyl 143:sc= -0.193 (180deg=-0.938) USER MOD Single : A 110 TYR OH : rot 80:sc= -0.0307 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.35) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 11.287 9.602 3.038 1.00 70.12 N ATOM 93 CA ARG A 7 11.471 8.918 4.312 1.00 14.33 C ATOM 94 C ARG A 7 10.395 7.856 4.520 1.00 53.53 C ATOM 95 O ARG A 7 10.697 6.672 4.666 1.00 43.05 O ATOM 96 CB ARG A 7 11.438 9.924 5.464 1.00 1.52 C ATOM 97 CG ARG A 7 12.807 10.217 6.057 1.00 60.44 C ATOM 98 CD ARG A 7 12.941 11.678 6.457 1.00 74.50 C ATOM 99 NE ARG A 7 12.964 12.563 5.296 1.00 41.20 N ATOM 100 CZ ARG A 7 14.012 12.689 4.489 1.00 53.30 C ATOM 101 NH1 ARG A 7 15.115 11.990 4.715 1.00 21.13 N ATOM 102 NH2 ARG A 7 13.957 13.516 3.453 1.00 55.05 N ATOM 0 HA ARG A 7 12.444 8.426 4.294 1.00 14.33 H new ATOM 0 HB2 ARG A 7 10.998 10.856 5.109 1.00 1.52 H new ATOM 0 HB3 ARG A 7 10.785 9.543 6.249 1.00 1.52 H new ATOM 0 HG2 ARG A 7 12.970 9.584 6.929 1.00 60.44 H new ATOM 0 HG3 ARG A 7 13.580 9.965 5.331 1.00 60.44 H new ATOM 0 HD2 ARG A 7 12.110 11.954 7.107 1.00 74.50 H new ATOM 0 HD3 ARG A 7 13.856 11.813 7.034 1.00 74.50 H new ATOM 0 HE ARG A 7 12.130 13.115 5.093 1.00 41.20 H new ATOM 0 HH11 ARG A 7 15.161 11.353 5.510 1.00 21.13 H new ATOM 0 HH12 ARG A 7 15.918 12.089 4.094 1.00 21.13 H new ATOM 0 HH21 ARG A 7 13.110 14.056 3.276 1.00 55.05 H new ATOM 0 HH22 ARG A 7 14.762 13.612 2.834 1.00 55.05 H new ATOM 116 N ASP A 8 9.139 8.289 4.532 1.00 33.03 N ATOM 117 CA ASP A 8 8.017 7.376 4.721 1.00 24.13 C ATOM 118 C ASP A 8 8.084 6.220 3.728 1.00 41.45 C ATOM 119 O ASP A 8 7.625 5.115 4.015 1.00 53.05 O ATOM 120 CB ASP A 8 6.692 8.123 4.566 1.00 71.04 C ATOM 121 CG ASP A 8 6.228 8.756 5.863 1.00 60.41 C ATOM 122 OD1 ASP A 8 6.344 8.098 6.919 1.00 41.33 O ATOM 123 OD2 ASP A 8 5.750 9.908 5.823 1.00 52.23 O ATOM 0 H ASP A 8 8.872 9.266 4.413 1.00 33.03 H new ATOM 0 HA ASP A 8 8.078 6.968 5.730 1.00 24.13 H new ATOM 0 HB2 ASP A 8 6.802 8.897 3.806 1.00 71.04 H new ATOM 0 HB3 ASP A 8 5.928 7.432 4.209 1.00 71.04 H new ATOM 128 N TRP A 9 8.658 6.484 2.559 1.00 14.42 N ATOM 129 CA TRP A 9 8.783 5.466 1.522 1.00 1.33 C ATOM 130 C TRP A 9 9.907 4.490 1.851 1.00 44.31 C ATOM 131 O TRP A 9 9.665 3.309 2.097 1.00 63.50 O ATOM 132 CB TRP A 9 9.040 6.121 0.164 1.00 2.32 C ATOM 133 CG TRP A 9 9.351 5.136 -0.921 1.00 61.43 C ATOM 134 CD1 TRP A 9 10.590 4.740 -1.338 1.00 73.55 C ATOM 135 CD2 TRP A 9 8.407 4.424 -1.728 1.00 71.44 C ATOM 136 NE1 TRP A 9 10.472 3.824 -2.356 1.00 44.15 N ATOM 137 CE2 TRP A 9 9.144 3.613 -2.614 1.00 33.43 C ATOM 138 CE3 TRP A 9 7.011 4.390 -1.788 1.00 42.50 C ATOM 139 CZ2 TRP A 9 8.530 2.781 -3.546 1.00 71.33 C ATOM 140 CZ3 TRP A 9 6.404 3.565 -2.714 1.00 75.44 C ATOM 141 CH2 TRP A 9 7.162 2.768 -3.583 1.00 10.31 C ATOM 0 H TRP A 9 9.044 7.394 2.306 1.00 14.42 H new ATOM 0 HA TRP A 9 7.846 4.911 1.478 1.00 1.33 H new ATOM 0 HB2 TRP A 9 8.163 6.702 -0.123 1.00 2.32 H new ATOM 0 HB3 TRP A 9 9.870 6.821 0.258 1.00 2.32 H new ATOM 0 HD1 TRP A 9 11.524 5.094 -0.928 1.00 73.55 H new ATOM 0 HE1 TRP A 9 11.248 3.374 -2.841 1.00 44.15 H new ATOM 0 HE3 TRP A 9 6.417 4.998 -1.122 1.00 42.50 H new ATOM 0 HZ2 TRP A 9 9.113 2.167 -4.217 1.00 71.33 H new ATOM 0 HZ3 TRP A 9 5.326 3.533 -2.770 1.00 75.44 H new ATOM 0 HH2 TRP A 9 6.657 2.132 -4.295 1.00 10.31 H new ATOM 152 N LYS A 10 11.138 4.991 1.854 1.00 40.34 N ATOM 153 CA LYS A 10 12.301 4.164 2.154 1.00 53.24 C ATOM 154 C LYS A 10 12.109 3.412 3.467 1.00 60.13 C ATOM 155 O LYS A 10 12.636 2.314 3.646 1.00 11.44 O ATOM 156 CB LYS A 10 13.562 5.028 2.228 1.00 15.30 C ATOM 157 CG LYS A 10 13.963 5.634 0.894 1.00 2.34 C ATOM 158 CD LYS A 10 15.233 4.999 0.353 1.00 0.12 C ATOM 159 CE LYS A 10 15.289 5.071 -1.165 1.00 40.41 C ATOM 160 NZ LYS A 10 16.233 4.070 -1.734 1.00 20.14 N ATOM 0 H LYS A 10 11.356 5.967 1.652 1.00 40.34 H new ATOM 0 HA LYS A 10 12.414 3.435 1.351 1.00 53.24 H new ATOM 0 HB2 LYS A 10 13.401 5.830 2.948 1.00 15.30 H new ATOM 0 HB3 LYS A 10 14.386 4.422 2.605 1.00 15.30 H new ATOM 0 HG2 LYS A 10 13.154 5.502 0.175 1.00 2.34 H new ATOM 0 HG3 LYS A 10 14.113 6.707 1.011 1.00 2.34 H new ATOM 0 HD2 LYS A 10 16.102 5.504 0.775 1.00 0.12 H new ATOM 0 HD3 LYS A 10 15.284 3.958 0.671 1.00 0.12 H new ATOM 0 HE2 LYS A 10 14.292 4.903 -1.573 1.00 40.41 H new ATOM 0 HE3 LYS A 10 15.594 6.072 -1.470 1.00 40.41 H new ATOM 0 HZ1 LYS A 10 16.242 4.152 -2.771 1.00 20.14 H new ATOM 0 HZ2 LYS A 10 17.189 4.245 -1.364 1.00 20.14 H new ATOM 0 HZ3 LYS A 10 15.928 3.113 -1.465 1.00 20.14 H new ATOM 174 N MET A 11 11.351 4.009 4.380 1.00 13.02 N ATOM 175 CA MET A 11 11.088 3.393 5.676 1.00 53.13 C ATOM 176 C MET A 11 10.141 2.206 5.531 1.00 63.41 C ATOM 177 O MET A 11 10.469 1.087 5.925 1.00 2.04 O ATOM 178 CB MET A 11 10.493 4.420 6.641 1.00 34.22 C ATOM 179 CG MET A 11 10.386 3.918 8.072 1.00 33.10 C ATOM 180 SD MET A 11 11.986 3.831 8.899 1.00 14.30 S ATOM 181 CE MET A 11 11.550 4.404 10.539 1.00 3.03 C ATOM 0 H MET A 11 10.908 4.918 4.247 1.00 13.02 H new ATOM 0 HA MET A 11 12.035 3.033 6.078 1.00 53.13 H new ATOM 0 HB2 MET A 11 11.108 5.320 6.625 1.00 34.22 H new ATOM 0 HB3 MET A 11 9.501 4.705 6.289 1.00 34.22 H new ATOM 0 HG2 MET A 11 9.725 4.577 8.636 1.00 33.10 H new ATOM 0 HG3 MET A 11 9.927 2.929 8.073 1.00 33.10 H new ATOM 0 HE1 MET A 11 12.438 4.407 11.171 1.00 3.03 H new ATOM 0 HE2 MET A 11 11.146 5.414 10.476 1.00 3.03 H new ATOM 0 HE3 MET A 11 10.800 3.740 10.969 1.00 3.03 H new ATOM 191 N ALA A 12 8.966 2.457 4.963 1.00 22.13 N ATOM 192 CA ALA A 12 7.974 1.408 4.765 1.00 15.13 C ATOM 193 C ALA A 12 8.578 0.209 4.043 1.00 24.13 C ATOM 194 O ALA A 12 8.143 -0.927 4.235 1.00 42.12 O ATOM 195 CB ALA A 12 6.782 1.949 3.988 1.00 23.33 C ATOM 0 H ALA A 12 8.678 3.378 4.632 1.00 22.13 H new ATOM 0 HA ALA A 12 7.634 1.074 5.745 1.00 15.13 H new ATOM 0 HB1 ALA A 12 6.049 1.155 3.847 1.00 23.33 H new ATOM 0 HB2 ALA A 12 6.327 2.769 4.544 1.00 23.33 H new ATOM 0 HB3 ALA A 12 7.116 2.311 3.016 1.00 23.33 H new ATOM 201 N ILE A 13 9.583 0.469 3.213 1.00 33.00 N ATOM 202 CA ILE A 13 10.247 -0.590 2.463 1.00 51.30 C ATOM 203 C ILE A 13 11.299 -1.290 3.316 1.00 62.44 C ATOM 204 O ILE A 13 11.350 -2.519 3.373 1.00 25.22 O ATOM 205 CB ILE A 13 10.916 -0.042 1.189 1.00 63.13 C ATOM 206 CG1 ILE A 13 9.877 0.629 0.288 1.00 32.52 C ATOM 207 CG2 ILE A 13 11.629 -1.160 0.443 1.00 61.14 C ATOM 208 CD1 ILE A 13 8.834 -0.328 -0.247 1.00 43.22 C ATOM 0 H ILE A 13 9.955 1.403 3.043 1.00 33.00 H new ATOM 0 HA ILE A 13 9.477 -1.307 2.179 1.00 51.30 H new ATOM 0 HB ILE A 13 11.655 0.705 1.478 1.00 63.13 H new ATOM 0 HG12 ILE A 13 9.379 1.421 0.848 1.00 32.52 H new ATOM 0 HG13 ILE A 13 10.387 1.104 -0.550 1.00 32.52 H new ATOM 0 HG21 ILE A 13 12.097 -0.757 -0.455 1.00 61.14 H new ATOM 0 HG22 ILE A 13 12.393 -1.597 1.086 1.00 61.14 H new ATOM 0 HG23 ILE A 13 10.908 -1.928 0.163 1.00 61.14 H new ATOM 0 HD11 ILE A 13 8.130 0.216 -0.877 1.00 43.22 H new ATOM 0 HD12 ILE A 13 9.321 -1.106 -0.835 1.00 43.22 H new ATOM 0 HD13 ILE A 13 8.298 -0.784 0.585 1.00 43.22 H new ATOM 220 N LYS A 14 12.137 -0.501 3.979 1.00 41.33 N ATOM 221 CA LYS A 14 13.187 -1.043 4.832 1.00 24.50 C ATOM 222 C LYS A 14 12.615 -2.049 5.826 1.00 65.20 C ATOM 223 O LYS A 14 13.297 -2.991 6.232 1.00 10.54 O ATOM 224 CB LYS A 14 13.897 0.085 5.584 1.00 53.45 C ATOM 225 CG LYS A 14 15.311 0.346 5.095 1.00 1.33 C ATOM 226 CD LYS A 14 16.319 -0.544 5.803 1.00 14.13 C ATOM 227 CE LYS A 14 17.490 -0.890 4.897 1.00 21.11 C ATOM 228 NZ LYS A 14 18.754 -1.060 5.665 1.00 23.25 N ATOM 0 H LYS A 14 12.109 0.518 3.942 1.00 41.33 H new ATOM 0 HA LYS A 14 13.908 -1.556 4.195 1.00 24.50 H new ATOM 0 HB2 LYS A 14 13.313 1.000 5.486 1.00 53.45 H new ATOM 0 HB3 LYS A 14 13.928 -0.161 6.646 1.00 53.45 H new ATOM 0 HG2 LYS A 14 15.363 0.173 4.020 1.00 1.33 H new ATOM 0 HG3 LYS A 14 15.567 1.392 5.262 1.00 1.33 H new ATOM 0 HD2 LYS A 14 16.686 -0.040 6.697 1.00 14.13 H new ATOM 0 HD3 LYS A 14 15.829 -1.460 6.132 1.00 14.13 H new ATOM 0 HE2 LYS A 14 17.269 -1.808 4.353 1.00 21.11 H new ATOM 0 HE3 LYS A 14 17.619 -0.103 4.154 1.00 21.11 H new ATOM 0 HZ1 LYS A 14 19.528 -1.295 5.012 1.00 23.25 H new ATOM 0 HZ2 LYS A 14 18.979 -0.176 6.164 1.00 23.25 H new ATOM 0 HZ3 LYS A 14 18.639 -1.828 6.357 1.00 23.25 H new ATOM 242 N ARG A 15 11.360 -1.844 6.212 1.00 24.52 N ATOM 243 CA ARG A 15 10.697 -2.734 7.158 1.00 4.22 C ATOM 244 C ARG A 15 9.914 -3.819 6.426 1.00 31.52 C ATOM 245 O ARG A 15 9.849 -4.963 6.878 1.00 71.51 O ATOM 246 CB ARG A 15 9.759 -1.938 8.067 1.00 22.04 C ATOM 247 CG ARG A 15 10.210 -1.893 9.518 1.00 21.33 C ATOM 248 CD ARG A 15 10.996 -0.627 9.819 1.00 44.25 C ATOM 249 NE ARG A 15 10.130 0.544 9.922 1.00 34.13 N ATOM 250 CZ ARG A 15 9.293 0.752 10.933 1.00 22.22 C ATOM 251 NH1 ARG A 15 9.212 -0.128 11.922 1.00 54.30 N ATOM 252 NH2 ARG A 15 8.537 1.842 10.957 1.00 73.34 N ATOM 0 H ARG A 15 10.782 -1.070 5.885 1.00 24.52 H new ATOM 0 HA ARG A 15 11.464 -3.212 7.768 1.00 4.22 H new ATOM 0 HB2 ARG A 15 9.678 -0.919 7.689 1.00 22.04 H new ATOM 0 HB3 ARG A 15 8.762 -2.376 8.019 1.00 22.04 H new ATOM 0 HG2 ARG A 15 9.340 -1.946 10.172 1.00 21.33 H new ATOM 0 HG3 ARG A 15 10.826 -2.765 9.736 1.00 21.33 H new ATOM 0 HD2 ARG A 15 11.545 -0.755 10.752 1.00 44.25 H new ATOM 0 HD3 ARG A 15 11.734 -0.464 9.034 1.00 44.25 H new ATOM 0 HE ARG A 15 10.170 1.240 9.178 1.00 34.13 H new ATOM 0 HH11 ARG A 15 9.793 -0.966 11.908 1.00 54.30 H new ATOM 0 HH12 ARG A 15 8.569 0.034 12.697 1.00 54.30 H new ATOM 0 HH21 ARG A 15 8.598 2.522 10.199 1.00 73.34 H new ATOM 0 HH22 ARG A 15 7.895 2.000 11.734 1.00 73.34 H new ATOM 266 N CYS A 16 9.321 -3.453 5.296 1.00 73.14 N ATOM 267 CA CYS A 16 8.540 -4.395 4.501 1.00 21.45 C ATOM 268 C CYS A 16 9.425 -5.513 3.959 1.00 30.13 C ATOM 269 O CYS A 16 8.954 -6.619 3.696 1.00 34.44 O ATOM 270 CB CYS A 16 7.848 -3.670 3.346 1.00 24.23 C ATOM 271 SG CYS A 16 6.961 -4.765 2.213 1.00 4.10 S ATOM 0 H CYS A 16 9.366 -2.510 4.909 1.00 73.14 H new ATOM 0 HA CYS A 16 7.782 -4.837 5.148 1.00 21.45 H new ATOM 0 HB2 CYS A 16 7.147 -2.943 3.756 1.00 24.23 H new ATOM 0 HB3 CYS A 16 8.595 -3.110 2.783 1.00 24.23 H new ATOM 0 HG CYS A 16 7.736 -5.081 1.219 1.00 4.10 H new ATOM 277 N SER A 17 10.710 -5.216 3.793 1.00 52.20 N ATOM 278 CA SER A 17 11.660 -6.194 3.277 1.00 41.14 C ATOM 279 C SER A 17 11.652 -7.461 4.127 1.00 51.41 C ATOM 280 O SER A 17 11.987 -8.544 3.650 1.00 43.44 O ATOM 281 CB SER A 17 13.069 -5.598 3.242 1.00 71.42 C ATOM 282 OG SER A 17 13.975 -6.471 2.589 1.00 3.33 O ATOM 0 H SER A 17 11.117 -4.306 4.008 1.00 52.20 H new ATOM 0 HA SER A 17 11.359 -6.457 2.263 1.00 41.14 H new ATOM 0 HB2 SER A 17 13.049 -4.638 2.727 1.00 71.42 H new ATOM 0 HB3 SER A 17 13.412 -5.407 4.259 1.00 71.42 H new ATOM 0 HG SER A 17 13.520 -6.919 1.846 1.00 3.33 H new ATOM 288 N ASN A 18 11.266 -7.315 5.390 1.00 21.14 N ATOM 289 CA ASN A 18 11.214 -8.447 6.309 1.00 43.31 C ATOM 290 C ASN A 18 10.355 -9.571 5.739 1.00 72.10 C ATOM 291 O ASN A 18 10.599 -10.749 6.003 1.00 12.50 O ATOM 292 CB ASN A 18 10.662 -8.005 7.665 1.00 15.53 C ATOM 293 CG ASN A 18 11.727 -7.387 8.550 1.00 20.35 C ATOM 294 OD1 ASN A 18 12.741 -6.887 8.063 1.00 20.05 O ATOM 295 ND2 ASN A 18 11.501 -7.420 9.859 1.00 62.33 N ATOM 0 H ASN A 18 10.985 -6.425 5.801 1.00 21.14 H new ATOM 0 HA ASN A 18 12.229 -8.822 6.443 1.00 43.31 H new ATOM 0 HB2 ASN A 18 9.859 -7.284 7.510 1.00 15.53 H new ATOM 0 HB3 ASN A 18 10.225 -8.864 8.174 1.00 15.53 H new ATOM 0 HD21 ASN A 18 12.182 -7.020 10.504 1.00 62.33 H new ATOM 0 HD22 ASN A 18 10.646 -7.845 10.218 1.00 62.33 H new ATOM 302 N VAL A 19 9.348 -9.199 4.955 1.00 73.50 N ATOM 303 CA VAL A 19 8.453 -10.176 4.346 1.00 54.12 C ATOM 304 C VAL A 19 9.237 -11.257 3.611 1.00 30.32 C ATOM 305 O VAL A 19 10.190 -10.965 2.890 1.00 63.20 O ATOM 306 CB VAL A 19 7.478 -9.505 3.360 1.00 34.10 C ATOM 307 CG1 VAL A 19 6.694 -8.400 4.052 1.00 4.10 C ATOM 308 CG2 VAL A 19 8.229 -8.962 2.154 1.00 23.40 C ATOM 0 H VAL A 19 9.132 -8.229 4.727 1.00 73.50 H new ATOM 0 HA VAL A 19 7.884 -10.632 5.156 1.00 54.12 H new ATOM 0 HB VAL A 19 6.769 -10.256 3.010 1.00 34.10 H new ATOM 0 HG11 VAL A 19 6.011 -7.938 3.340 1.00 4.10 H new ATOM 0 HG12 VAL A 19 6.124 -8.822 4.880 1.00 4.10 H new ATOM 0 HG13 VAL A 19 7.385 -7.648 4.433 1.00 4.10 H new ATOM 0 HG21 VAL A 19 7.524 -8.492 1.468 1.00 23.40 H new ATOM 0 HG22 VAL A 19 8.962 -8.225 2.483 1.00 23.40 H new ATOM 0 HG23 VAL A 19 8.740 -9.779 1.645 1.00 23.40 H new ATOM 318 N ALA A 20 8.829 -12.508 3.799 1.00 15.25 N ATOM 319 CA ALA A 20 9.491 -13.633 3.153 1.00 63.53 C ATOM 320 C ALA A 20 8.539 -14.364 2.212 1.00 64.31 C ATOM 321 O ALA A 20 7.333 -14.419 2.452 1.00 42.30 O ATOM 322 CB ALA A 20 10.043 -14.592 4.197 1.00 24.13 C ATOM 0 H ALA A 20 8.042 -12.767 4.394 1.00 15.25 H new ATOM 0 HA ALA A 20 10.318 -13.243 2.560 1.00 63.53 H new ATOM 0 HB1 ALA A 20 10.535 -15.428 3.699 1.00 24.13 H new ATOM 0 HB2 ALA A 20 10.763 -14.069 4.826 1.00 24.13 H new ATOM 0 HB3 ALA A 20 9.227 -14.967 4.814 1.00 24.13 H new ATOM 328 N VAL A 21 9.089 -14.925 1.139 1.00 2.22 N ATOM 329 CA VAL A 21 8.289 -15.653 0.162 1.00 12.00 C ATOM 330 C VAL A 21 7.556 -16.821 0.813 1.00 62.05 C ATOM 331 O VAL A 21 6.506 -17.251 0.337 1.00 0.03 O ATOM 332 CB VAL A 21 9.159 -16.186 -0.992 1.00 3.44 C ATOM 333 CG1 VAL A 21 8.290 -16.804 -2.075 1.00 74.43 C ATOM 334 CG2 VAL A 21 10.026 -15.073 -1.562 1.00 73.02 C ATOM 0 H VAL A 21 10.086 -14.889 0.925 1.00 2.22 H new ATOM 0 HA VAL A 21 7.561 -14.948 -0.239 1.00 12.00 H new ATOM 0 HB VAL A 21 9.816 -16.963 -0.601 1.00 3.44 H new ATOM 0 HG11 VAL A 21 8.923 -17.175 -2.882 1.00 74.43 H new ATOM 0 HG12 VAL A 21 7.717 -17.630 -1.654 1.00 74.43 H new ATOM 0 HG13 VAL A 21 7.607 -16.051 -2.467 1.00 74.43 H new ATOM 0 HG21 VAL A 21 10.634 -15.467 -2.376 1.00 73.02 H new ATOM 0 HG22 VAL A 21 9.389 -14.273 -1.939 1.00 73.02 H new ATOM 0 HG23 VAL A 21 10.676 -14.681 -0.780 1.00 73.02 H new ATOM 344 N GLY A 22 8.118 -17.331 1.905 1.00 41.25 N ATOM 345 CA GLY A 22 7.504 -18.445 2.603 1.00 5.25 C ATOM 346 C GLY A 22 7.377 -18.195 4.093 1.00 33.01 C ATOM 347 O GLY A 22 7.703 -17.112 4.579 1.00 55.34 O ATOM 0 H GLY A 22 8.987 -16.993 2.318 1.00 41.25 H new ATOM 0 HA2 GLY A 22 6.516 -18.633 2.183 1.00 5.25 H new ATOM 0 HA3 GLY A 22 8.097 -19.345 2.438 1.00 5.25 H new ATOM 351 N VAL A 23 6.899 -19.199 4.821 1.00 22.52 N ATOM 352 CA VAL A 23 6.728 -19.084 6.265 1.00 42.35 C ATOM 353 C VAL A 23 8.047 -18.743 6.949 1.00 64.14 C ATOM 354 O VAL A 23 8.068 -18.092 7.992 1.00 34.24 O ATOM 355 CB VAL A 23 6.170 -20.385 6.870 1.00 73.32 C ATOM 356 CG1 VAL A 23 7.140 -21.536 6.650 1.00 2.23 C ATOM 357 CG2 VAL A 23 5.875 -20.200 8.351 1.00 64.32 C ATOM 0 H VAL A 23 6.623 -20.102 4.435 1.00 22.52 H new ATOM 0 HA VAL A 23 6.014 -18.278 6.436 1.00 42.35 H new ATOM 0 HB VAL A 23 5.235 -20.629 6.365 1.00 73.32 H new ATOM 0 HG11 VAL A 23 6.728 -22.447 7.084 1.00 2.23 H new ATOM 0 HG12 VAL A 23 7.295 -21.682 5.581 1.00 2.23 H new ATOM 0 HG13 VAL A 23 8.093 -21.305 7.127 1.00 2.23 H new ATOM 0 HG21 VAL A 23 5.481 -21.129 8.762 1.00 64.32 H new ATOM 0 HG22 VAL A 23 6.793 -19.932 8.874 1.00 64.32 H new ATOM 0 HG23 VAL A 23 5.139 -19.406 8.479 1.00 64.32 H new ATOM 436 N LYS A 29 13.735 -13.268 1.209 1.00 41.14 N ATOM 437 CA LYS A 29 12.946 -12.079 1.509 1.00 62.00 C ATOM 438 C LYS A 29 12.829 -11.180 0.283 1.00 43.53 C ATOM 439 O LYS A 29 13.693 -11.193 -0.594 1.00 64.23 O ATOM 440 CB LYS A 29 13.578 -11.302 2.666 1.00 14.13 C ATOM 441 CG LYS A 29 14.002 -12.181 3.830 1.00 71.43 C ATOM 442 CD LYS A 29 14.486 -11.353 5.008 1.00 55.41 C ATOM 443 CE LYS A 29 15.880 -10.796 4.763 1.00 31.41 C ATOM 444 NZ LYS A 29 15.891 -9.307 4.766 1.00 24.24 N ATOM 0 HA LYS A 29 11.945 -12.401 1.798 1.00 62.00 H new ATOM 0 HB2 LYS A 29 14.448 -10.759 2.296 1.00 14.13 H new ATOM 0 HB3 LYS A 29 12.867 -10.558 3.024 1.00 14.13 H new ATOM 0 HG2 LYS A 29 13.163 -12.803 4.142 1.00 71.43 H new ATOM 0 HG3 LYS A 29 14.796 -12.855 3.508 1.00 71.43 H new ATOM 0 HD2 LYS A 29 13.791 -10.532 5.187 1.00 55.41 H new ATOM 0 HD3 LYS A 29 14.492 -11.968 5.908 1.00 55.41 H new ATOM 0 HE2 LYS A 29 16.559 -11.166 5.531 1.00 31.41 H new ATOM 0 HE3 LYS A 29 16.253 -11.160 3.806 1.00 31.41 H new ATOM 0 HZ1 LYS A 29 16.859 -8.967 4.596 1.00 24.24 H new ATOM 0 HZ2 LYS A 29 15.263 -8.954 4.016 1.00 24.24 H new ATOM 0 HZ3 LYS A 29 15.559 -8.959 5.688 1.00 24.24 H new ATOM 458 N PHE A 30 11.756 -10.397 0.228 1.00 23.43 N ATOM 459 CA PHE A 30 11.527 -9.491 -0.891 1.00 0.24 C ATOM 460 C PHE A 30 12.299 -8.188 -0.702 1.00 61.21 C ATOM 461 O PHE A 30 13.002 -8.009 0.291 1.00 2.43 O ATOM 462 CB PHE A 30 10.033 -9.195 -1.037 1.00 10.43 C ATOM 463 CG PHE A 30 9.300 -10.206 -1.871 1.00 21.11 C ATOM 464 CD1 PHE A 30 9.728 -10.507 -3.154 1.00 4.32 C ATOM 465 CD2 PHE A 30 8.183 -10.856 -1.372 1.00 55.12 C ATOM 466 CE1 PHE A 30 9.057 -11.437 -3.924 1.00 35.30 C ATOM 467 CE2 PHE A 30 7.507 -11.788 -2.137 1.00 50.44 C ATOM 468 CZ PHE A 30 7.944 -12.078 -3.415 1.00 53.23 C ATOM 0 H PHE A 30 11.032 -10.372 0.946 1.00 23.43 H new ATOM 0 HA PHE A 30 11.885 -9.977 -1.799 1.00 0.24 H new ATOM 0 HB2 PHE A 30 9.580 -9.156 -0.046 1.00 10.43 H new ATOM 0 HB3 PHE A 30 9.908 -8.208 -1.483 1.00 10.43 H new ATOM 0 HD1 PHE A 30 10.597 -10.008 -3.557 1.00 4.32 H new ATOM 0 HD2 PHE A 30 7.836 -10.632 -0.374 1.00 55.12 H new ATOM 0 HE1 PHE A 30 9.402 -11.663 -4.922 1.00 35.30 H new ATOM 0 HE2 PHE A 30 6.638 -12.289 -1.736 1.00 50.44 H new ATOM 0 HZ PHE A 30 7.416 -12.805 -4.015 1.00 53.23 H new ATOM 478 N GLY A 31 12.163 -7.282 -1.665 1.00 53.52 N ATOM 479 CA GLY A 31 12.853 -6.007 -1.588 1.00 21.43 C ATOM 480 C GLY A 31 12.162 -4.924 -2.391 1.00 43.25 C ATOM 481 O GLY A 31 11.210 -5.196 -3.121 1.00 72.13 O ATOM 0 H GLY A 31 11.587 -7.408 -2.498 1.00 53.52 H new ATOM 0 HA2 GLY A 31 12.919 -5.696 -0.546 1.00 21.43 H new ATOM 0 HA3 GLY A 31 13.874 -6.128 -1.950 1.00 21.43 H new ATOM 485 N GLU A 32 12.642 -3.692 -2.256 1.00 44.51 N ATOM 486 CA GLU A 32 12.062 -2.563 -2.975 1.00 20.15 C ATOM 487 C GLU A 32 11.964 -2.861 -4.468 1.00 32.31 C ATOM 488 O GLU A 32 11.046 -2.400 -5.145 1.00 43.21 O ATOM 489 CB GLU A 32 12.898 -1.302 -2.749 1.00 43.21 C ATOM 490 CG GLU A 32 14.218 -1.304 -3.502 1.00 2.01 C ATOM 491 CD GLU A 32 15.108 -0.136 -3.122 1.00 63.53 C ATOM 492 OE1 GLU A 32 14.579 0.866 -2.597 1.00 24.52 O ATOM 493 OE2 GLU A 32 16.333 -0.224 -3.351 1.00 33.43 O ATOM 0 H GLU A 32 13.430 -3.450 -1.656 1.00 44.51 H new ATOM 0 HA GLU A 32 11.056 -2.397 -2.589 1.00 20.15 H new ATOM 0 HB2 GLU A 32 12.317 -0.432 -3.054 1.00 43.21 H new ATOM 0 HB3 GLU A 32 13.098 -1.195 -1.683 1.00 43.21 H new ATOM 0 HG2 GLU A 32 14.745 -2.237 -3.302 1.00 2.01 H new ATOM 0 HG3 GLU A 32 14.021 -1.272 -4.574 1.00 2.01 H new ATOM 500 N GLY A 33 12.918 -3.637 -4.975 1.00 13.43 N ATOM 501 CA GLY A 33 12.921 -3.983 -6.384 1.00 45.10 C ATOM 502 C GLY A 33 11.693 -4.772 -6.790 1.00 71.43 C ATOM 503 O GLY A 33 11.036 -4.446 -7.778 1.00 30.11 O ATOM 0 H GLY A 33 13.688 -4.032 -4.435 1.00 13.43 H new ATOM 0 HA2 GLY A 33 12.976 -3.071 -6.979 1.00 45.10 H new ATOM 0 HA3 GLY A 33 13.814 -4.565 -6.610 1.00 45.10 H new ATOM 507 N ASN A 34 11.383 -5.816 -6.027 1.00 53.44 N ATOM 508 CA ASN A 34 10.226 -6.656 -6.315 1.00 12.31 C ATOM 509 C ASN A 34 8.929 -5.866 -6.165 1.00 42.44 C ATOM 510 O ASN A 34 8.056 -5.916 -7.032 1.00 14.25 O ATOM 511 CB ASN A 34 10.207 -7.870 -5.384 1.00 12.52 C ATOM 512 CG ASN A 34 11.289 -8.876 -5.723 1.00 42.25 C ATOM 513 OD1 ASN A 34 11.136 -9.684 -6.640 1.00 12.33 O ATOM 514 ND2 ASN A 34 12.391 -8.831 -4.984 1.00 64.21 N ATOM 0 H ASN A 34 11.917 -6.100 -5.205 1.00 53.44 H new ATOM 0 HA ASN A 34 10.305 -6.998 -7.347 1.00 12.31 H new ATOM 0 HB2 ASN A 34 10.335 -7.537 -4.354 1.00 12.52 H new ATOM 0 HB3 ASN A 34 9.233 -8.355 -5.444 1.00 12.52 H new ATOM 0 HD21 ASN A 34 13.154 -9.483 -5.166 1.00 64.21 H new ATOM 0 HD22 ASN A 34 12.475 -8.145 -4.234 1.00 64.21 H new ATOM 521 N PHE A 35 8.811 -5.136 -5.061 1.00 44.10 N ATOM 522 CA PHE A 35 7.622 -4.335 -4.797 1.00 73.02 C ATOM 523 C PHE A 35 7.400 -3.310 -5.905 1.00 53.51 C ATOM 524 O PHE A 35 6.302 -3.199 -6.452 1.00 44.40 O ATOM 525 CB PHE A 35 7.748 -3.625 -3.448 1.00 32.35 C ATOM 526 CG PHE A 35 8.118 -4.545 -2.319 1.00 45.41 C ATOM 527 CD1 PHE A 35 7.486 -5.768 -2.168 1.00 54.21 C ATOM 528 CD2 PHE A 35 9.100 -4.185 -1.409 1.00 35.20 C ATOM 529 CE1 PHE A 35 7.825 -6.616 -1.131 1.00 35.40 C ATOM 530 CE2 PHE A 35 9.443 -5.030 -0.370 1.00 50.33 C ATOM 531 CZ PHE A 35 8.804 -6.246 -0.230 1.00 71.23 C ATOM 0 H PHE A 35 9.525 -5.083 -4.334 1.00 44.10 H new ATOM 0 HA PHE A 35 6.763 -5.005 -4.768 1.00 73.02 H new ATOM 0 HB2 PHE A 35 8.500 -2.840 -3.528 1.00 32.35 H new ATOM 0 HB3 PHE A 35 6.802 -3.137 -3.213 1.00 32.35 H new ATOM 0 HD1 PHE A 35 6.719 -6.062 -2.869 1.00 54.21 H new ATOM 0 HD2 PHE A 35 9.602 -3.235 -1.513 1.00 35.20 H new ATOM 0 HE1 PHE A 35 7.325 -7.567 -1.025 1.00 35.40 H new ATOM 0 HE2 PHE A 35 10.211 -4.739 0.332 1.00 50.33 H new ATOM 0 HZ PHE A 35 9.069 -6.906 0.582 1.00 71.23 H new ATOM 541 N ARG A 36 8.449 -2.562 -6.230 1.00 3.21 N ATOM 542 CA ARG A 36 8.369 -1.544 -7.271 1.00 4.03 C ATOM 543 C ARG A 36 7.903 -2.151 -8.591 1.00 21.55 C ATOM 544 O ARG A 36 7.132 -1.538 -9.329 1.00 63.51 O ATOM 545 CB ARG A 36 9.730 -0.870 -7.460 1.00 15.43 C ATOM 546 CG ARG A 36 10.059 0.149 -6.381 1.00 4.01 C ATOM 547 CD ARG A 36 11.426 0.777 -6.607 1.00 32.02 C ATOM 548 NE ARG A 36 12.497 -0.215 -6.571 1.00 31.24 N ATOM 549 CZ ARG A 36 13.717 0.003 -7.049 1.00 32.42 C ATOM 550 NH1 ARG A 36 14.019 1.172 -7.597 1.00 32.35 N ATOM 551 NH2 ARG A 36 14.638 -0.950 -6.979 1.00 71.03 N ATOM 0 H ARG A 36 9.365 -2.642 -5.788 1.00 3.21 H new ATOM 0 HA ARG A 36 7.640 -0.796 -6.958 1.00 4.03 H new ATOM 0 HB2 ARG A 36 10.506 -1.635 -7.474 1.00 15.43 H new ATOM 0 HB3 ARG A 36 9.750 -0.377 -8.432 1.00 15.43 H new ATOM 0 HG2 ARG A 36 9.297 0.928 -6.370 1.00 4.01 H new ATOM 0 HG3 ARG A 36 10.036 -0.334 -5.404 1.00 4.01 H new ATOM 0 HD2 ARG A 36 11.436 1.286 -7.571 1.00 32.02 H new ATOM 0 HD3 ARG A 36 11.608 1.534 -5.844 1.00 32.02 H new ATOM 0 HE ARG A 36 12.297 -1.125 -6.156 1.00 31.24 H new ATOM 0 HH11 ARG A 36 13.314 1.907 -7.652 1.00 32.35 H new ATOM 0 HH12 ARG A 36 14.957 1.337 -7.963 1.00 32.35 H new ATOM 0 HH21 ARG A 36 14.409 -1.850 -6.558 1.00 71.03 H new ATOM 0 HH22 ARG A 36 15.575 -0.782 -7.346 1.00 71.03 H new ATOM 565 N TRP A 37 8.376 -3.358 -8.880 1.00 21.21 N ATOM 566 CA TRP A 37 8.008 -4.048 -10.111 1.00 70.10 C ATOM 567 C TRP A 37 6.501 -4.270 -10.181 1.00 41.32 C ATOM 568 O TRP A 37 5.860 -3.930 -11.175 1.00 43.04 O ATOM 569 CB TRP A 37 8.738 -5.389 -10.206 1.00 40.24 C ATOM 570 CG TRP A 37 8.278 -6.235 -11.354 1.00 73.53 C ATOM 571 CD1 TRP A 37 8.761 -6.218 -12.631 1.00 43.34 C ATOM 572 CD2 TRP A 37 7.241 -7.223 -11.329 1.00 43.13 C ATOM 573 NE1 TRP A 37 8.088 -7.135 -13.402 1.00 13.31 N ATOM 574 CE2 TRP A 37 7.151 -7.765 -12.626 1.00 51.03 C ATOM 575 CE3 TRP A 37 6.382 -7.703 -10.337 1.00 64.53 C ATOM 576 CZ2 TRP A 37 6.235 -8.761 -12.954 1.00 63.22 C ATOM 577 CZ3 TRP A 37 5.474 -8.692 -10.664 1.00 71.04 C ATOM 578 CH2 TRP A 37 5.406 -9.213 -11.963 1.00 45.15 C ATOM 0 H TRP A 37 9.015 -3.879 -8.279 1.00 21.21 H new ATOM 0 HA TRP A 37 8.304 -3.421 -10.952 1.00 70.10 H new ATOM 0 HB2 TRP A 37 9.808 -5.206 -10.305 1.00 40.24 H new ATOM 0 HB3 TRP A 37 8.593 -5.940 -9.277 1.00 40.24 H new ATOM 0 HD1 TRP A 37 9.556 -5.577 -12.984 1.00 43.34 H new ATOM 0 HE1 TRP A 37 8.258 -7.317 -14.391 1.00 13.31 H new ATOM 0 HE3 TRP A 37 6.427 -7.308 -9.333 1.00 64.53 H new ATOM 0 HZ2 TRP A 37 6.181 -9.163 -13.955 1.00 63.22 H new ATOM 0 HZ3 TRP A 37 4.805 -9.070 -9.905 1.00 71.04 H new ATOM 0 HH2 TRP A 37 4.686 -9.986 -12.187 1.00 45.15 H new ATOM 589 N ALA A 38 5.941 -4.841 -9.120 1.00 23.01 N ATOM 590 CA ALA A 38 4.509 -5.105 -9.061 1.00 60.42 C ATOM 591 C ALA A 38 3.713 -3.806 -9.007 1.00 33.15 C ATOM 592 O ALA A 38 2.814 -3.584 -9.818 1.00 14.30 O ATOM 593 CB ALA A 38 4.182 -5.978 -7.858 1.00 43.13 C ATOM 0 H ALA A 38 6.458 -5.130 -8.289 1.00 23.01 H new ATOM 0 HA ALA A 38 4.225 -5.637 -9.969 1.00 60.42 H new ATOM 0 HB1 ALA A 38 3.109 -6.167 -7.827 1.00 43.13 H new ATOM 0 HB2 ALA A 38 4.715 -6.925 -7.940 1.00 43.13 H new ATOM 0 HB3 ALA A 38 4.487 -5.468 -6.944 1.00 43.13 H new ATOM 599 N ILE A 39 4.048 -2.952 -8.045 1.00 61.14 N ATOM 600 CA ILE A 39 3.364 -1.675 -7.886 1.00 50.11 C ATOM 601 C ILE A 39 3.338 -0.898 -9.198 1.00 3.31 C ATOM 602 O ILE A 39 2.276 -0.489 -9.669 1.00 25.45 O ATOM 603 CB ILE A 39 4.033 -0.809 -6.802 1.00 62.15 C ATOM 604 CG1 ILE A 39 4.035 -1.544 -5.461 1.00 21.24 C ATOM 605 CG2 ILE A 39 3.320 0.529 -6.679 1.00 1.15 C ATOM 606 CD1 ILE A 39 5.066 -1.020 -4.486 1.00 1.12 C ATOM 0 H ILE A 39 4.789 -3.122 -7.365 1.00 61.14 H new ATOM 0 HA ILE A 39 2.342 -1.900 -7.580 1.00 50.11 H new ATOM 0 HB ILE A 39 5.067 -0.622 -7.093 1.00 62.15 H new ATOM 0 HG12 ILE A 39 3.046 -1.463 -5.010 1.00 21.24 H new ATOM 0 HG13 ILE A 39 4.219 -2.604 -5.637 1.00 21.24 H new ATOM 0 HG21 ILE A 39 3.804 1.130 -5.909 1.00 1.15 H new ATOM 0 HG22 ILE A 39 3.366 1.055 -7.633 1.00 1.15 H new ATOM 0 HG23 ILE A 39 2.278 0.362 -6.407 1.00 1.15 H new ATOM 0 HD11 ILE A 39 5.010 -1.588 -3.557 1.00 1.12 H new ATOM 0 HD12 ILE A 39 6.061 -1.126 -4.917 1.00 1.12 H new ATOM 0 HD13 ILE A 39 4.870 0.032 -4.280 1.00 1.12 H new ATOM 618 N ARG A 40 4.514 -0.698 -9.784 1.00 61.22 N ATOM 619 CA ARG A 40 4.627 0.029 -11.043 1.00 13.55 C ATOM 620 C ARG A 40 3.705 -0.569 -12.101 1.00 13.21 C ATOM 621 O ARG A 40 2.978 0.152 -12.784 1.00 12.00 O ATOM 622 CB ARG A 40 6.073 0.009 -11.540 1.00 41.14 C ATOM 623 CG ARG A 40 6.305 0.867 -12.774 1.00 32.33 C ATOM 624 CD ARG A 40 7.731 1.393 -12.826 1.00 55.03 C ATOM 625 NE ARG A 40 7.919 2.355 -13.908 1.00 41.55 N ATOM 626 CZ ARG A 40 8.968 3.166 -13.997 1.00 31.22 C ATOM 627 NH1 ARG A 40 9.918 3.130 -13.072 1.00 74.43 N ATOM 628 NH2 ARG A 40 9.068 4.015 -15.012 1.00 25.51 N ATOM 0 H ARG A 40 5.402 -1.029 -9.407 1.00 61.22 H new ATOM 0 HA ARG A 40 4.326 1.061 -10.866 1.00 13.55 H new ATOM 0 HB2 ARG A 40 6.728 0.354 -10.740 1.00 41.14 H new ATOM 0 HB3 ARG A 40 6.357 -1.019 -11.764 1.00 41.14 H new ATOM 0 HG2 ARG A 40 6.099 0.281 -13.670 1.00 32.33 H new ATOM 0 HG3 ARG A 40 5.607 1.704 -12.773 1.00 32.33 H new ATOM 0 HD2 ARG A 40 7.979 1.864 -11.875 1.00 55.03 H new ATOM 0 HD3 ARG A 40 8.421 0.559 -12.958 1.00 55.03 H new ATOM 0 HE ARG A 40 7.206 2.408 -14.636 1.00 41.55 H new ATOM 0 HH11 ARG A 40 9.844 2.479 -12.290 1.00 74.43 H new ATOM 0 HH12 ARG A 40 10.722 3.753 -13.142 1.00 74.43 H new ATOM 0 HH21 ARG A 40 8.339 4.046 -15.725 1.00 25.51 H new ATOM 0 HH22 ARG A 40 9.874 4.637 -15.079 1.00 25.51 H new ATOM 642 N MET A 41 3.741 -1.891 -12.231 1.00 11.12 N ATOM 643 CA MET A 41 2.908 -2.586 -13.206 1.00 1.24 C ATOM 644 C MET A 41 1.446 -2.174 -13.063 1.00 62.32 C ATOM 645 O MET A 41 0.753 -1.957 -14.057 1.00 4.33 O ATOM 646 CB MET A 41 3.043 -4.100 -13.036 1.00 34.32 C ATOM 647 CG MET A 41 4.133 -4.714 -13.899 1.00 21.13 C ATOM 648 SD MET A 41 3.485 -5.480 -15.397 1.00 32.34 S ATOM 649 CE MET A 41 4.459 -4.651 -16.650 1.00 61.10 C ATOM 0 H MET A 41 4.338 -2.502 -11.674 1.00 11.12 H new ATOM 0 HA MET A 41 3.249 -2.308 -14.203 1.00 1.24 H new ATOM 0 HB2 MET A 41 3.251 -4.323 -11.989 1.00 34.32 H new ATOM 0 HB3 MET A 41 2.090 -4.571 -13.279 1.00 34.32 H new ATOM 0 HG2 MET A 41 4.852 -3.942 -14.172 1.00 21.13 H new ATOM 0 HG3 MET A 41 4.673 -5.462 -13.318 1.00 21.13 H new ATOM 0 HE1 MET A 41 4.173 -5.019 -17.635 1.00 61.10 H new ATOM 0 HE2 MET A 41 4.281 -3.577 -16.598 1.00 61.10 H new ATOM 0 HE3 MET A 41 5.517 -4.852 -16.481 1.00 61.10 H new ATOM 659 N ALA A 42 0.984 -2.070 -11.822 1.00 13.14 N ATOM 660 CA ALA A 42 -0.395 -1.683 -11.550 1.00 51.10 C ATOM 661 C ALA A 42 -0.599 -0.187 -11.768 1.00 63.51 C ATOM 662 O ALA A 42 -1.615 0.237 -12.316 1.00 72.40 O ATOM 663 CB ALA A 42 -0.782 -2.069 -10.130 1.00 4.41 C ATOM 0 H ALA A 42 1.544 -2.248 -10.989 1.00 13.14 H new ATOM 0 HA ALA A 42 -1.040 -2.217 -12.248 1.00 51.10 H new ATOM 0 HB1 ALA A 42 -1.814 -1.774 -9.941 1.00 4.41 H new ATOM 0 HB2 ALA A 42 -0.685 -3.148 -10.007 1.00 4.41 H new ATOM 0 HB3 ALA A 42 -0.125 -1.562 -9.423 1.00 4.41 H new ATOM 669 N ASN A 43 0.375 0.607 -11.335 1.00 32.02 N ATOM 670 CA ASN A 43 0.301 2.056 -11.482 1.00 1.12 C ATOM 671 C ASN A 43 0.125 2.446 -12.946 1.00 75.02 C ATOM 672 O ASN A 43 -0.411 3.510 -13.256 1.00 41.34 O ATOM 673 CB ASN A 43 1.563 2.712 -10.916 1.00 73.35 C ATOM 674 CG ASN A 43 1.247 3.878 -10.000 1.00 21.00 C ATOM 675 OD1 ASN A 43 0.729 3.694 -8.899 1.00 35.33 O ATOM 676 ND2 ASN A 43 1.559 5.087 -10.452 1.00 63.12 N ATOM 0 H ASN A 43 1.224 0.272 -10.880 1.00 32.02 H new ATOM 0 HA ASN A 43 -0.566 2.409 -10.924 1.00 1.12 H new ATOM 0 HB2 ASN A 43 2.141 1.968 -10.367 1.00 73.35 H new ATOM 0 HB3 ASN A 43 2.189 3.059 -11.738 1.00 73.35 H new ATOM 0 HD21 ASN A 43 1.370 5.910 -9.880 1.00 63.12 H new ATOM 0 HD22 ASN A 43 1.987 5.193 -11.372 1.00 63.12 H new ATOM 683 N VAL A 44 0.578 1.576 -13.843 1.00 40.34 N ATOM 684 CA VAL A 44 0.469 1.828 -15.275 1.00 51.04 C ATOM 685 C VAL A 44 -0.655 1.004 -15.894 1.00 41.41 C ATOM 686 O VAL A 44 -1.647 1.552 -16.375 1.00 71.41 O ATOM 687 CB VAL A 44 1.787 1.506 -16.004 1.00 3.41 C ATOM 688 CG1 VAL A 44 1.681 1.856 -17.480 1.00 74.35 C ATOM 689 CG2 VAL A 44 2.948 2.245 -15.355 1.00 51.52 C ATOM 0 H VAL A 44 1.024 0.691 -13.603 1.00 40.34 H new ATOM 0 HA VAL A 44 0.247 2.888 -15.393 1.00 51.04 H new ATOM 0 HB VAL A 44 1.975 0.435 -15.922 1.00 3.41 H new ATOM 0 HG11 VAL A 44 2.622 1.621 -17.978 1.00 74.35 H new ATOM 0 HG12 VAL A 44 0.876 1.278 -17.934 1.00 74.35 H new ATOM 0 HG13 VAL A 44 1.469 2.920 -17.587 1.00 74.35 H new ATOM 0 HG21 VAL A 44 3.872 2.006 -15.882 1.00 51.52 H new ATOM 0 HG22 VAL A 44 2.769 3.319 -15.405 1.00 51.52 H new ATOM 0 HG23 VAL A 44 3.036 1.940 -14.312 1.00 51.52 H new ATOM 699 N SER A 45 -0.492 -0.315 -15.878 1.00 15.32 N ATOM 700 CA SER A 45 -1.492 -1.215 -16.440 1.00 72.04 C ATOM 701 C SER A 45 -2.875 -0.915 -15.871 1.00 54.31 C ATOM 702 O SER A 45 -3.876 -0.944 -16.589 1.00 23.31 O ATOM 703 CB SER A 45 -1.116 -2.670 -16.156 1.00 71.51 C ATOM 704 OG SER A 45 -1.534 -3.061 -14.860 1.00 22.25 O ATOM 0 H SER A 45 0.323 -0.784 -15.482 1.00 15.32 H new ATOM 0 HA SER A 45 -1.521 -1.058 -17.518 1.00 72.04 H new ATOM 0 HB2 SER A 45 -1.575 -3.320 -16.901 1.00 71.51 H new ATOM 0 HB3 SER A 45 -0.037 -2.794 -16.246 1.00 71.51 H new ATOM 0 HG SER A 45 -0.818 -2.878 -14.216 1.00 22.25 H new ATOM 710 N THR A 46 -2.925 -0.625 -14.574 1.00 62.44 N ATOM 711 CA THR A 46 -4.184 -0.321 -13.907 1.00 0.33 C ATOM 712 C THR A 46 -4.137 1.051 -13.243 1.00 64.21 C ATOM 713 O THR A 46 -4.615 1.226 -12.123 1.00 45.12 O ATOM 714 CB THR A 46 -4.527 -1.381 -12.844 1.00 31.34 C ATOM 715 OG1 THR A 46 -3.675 -1.226 -11.703 1.00 41.45 O ATOM 716 CG2 THR A 46 -4.373 -2.785 -13.410 1.00 54.30 C ATOM 0 H THR A 46 -2.107 -0.594 -13.965 1.00 62.44 H new ATOM 0 HA THR A 46 -4.957 -0.324 -14.675 1.00 0.33 H new ATOM 0 HB THR A 46 -5.565 -1.238 -12.544 1.00 31.34 H new ATOM 0 HG1 THR A 46 -2.936 -0.623 -11.926 1.00 41.45 H new ATOM 0 HG21 THR A 46 -4.621 -3.517 -12.641 1.00 54.30 H new ATOM 0 HG22 THR A 46 -5.044 -2.910 -14.260 1.00 54.30 H new ATOM 0 HG23 THR A 46 -3.344 -2.935 -13.736 1.00 54.30 H new ATOM 851 N THR A 56 -4.034 6.661 -0.138 1.00 73.22 N ATOM 852 CA THR A 56 -5.216 6.274 0.622 1.00 2.04 C ATOM 853 C THR A 56 -5.438 4.767 0.565 1.00 40.04 C ATOM 854 O THR A 56 -5.304 4.149 -0.493 1.00 4.43 O ATOM 855 CB THR A 56 -6.478 6.988 0.102 1.00 64.12 C ATOM 856 OG1 THR A 56 -6.874 6.428 -1.155 1.00 43.12 O ATOM 857 CG2 THR A 56 -6.228 8.480 -0.058 1.00 12.02 C ATOM 0 HA THR A 56 -5.039 6.573 1.655 1.00 2.04 H new ATOM 0 HB THR A 56 -7.276 6.846 0.831 1.00 64.12 H new ATOM 0 HG1 THR A 56 -6.582 7.017 -1.882 1.00 43.12 H new ATOM 0 HG21 THR A 56 -7.133 8.963 -0.426 1.00 12.02 H new ATOM 0 HG22 THR A 56 -5.955 8.909 0.906 1.00 12.02 H new ATOM 0 HG23 THR A 56 -5.417 8.639 -0.769 1.00 12.02 H new ATOM 865 N LEU A 57 -5.779 4.180 1.706 1.00 32.13 N ATOM 866 CA LEU A 57 -6.021 2.743 1.785 1.00 12.55 C ATOM 867 C LEU A 57 -7.070 2.311 0.766 1.00 63.14 C ATOM 868 O LEU A 57 -7.047 1.181 0.278 1.00 23.41 O ATOM 869 CB LEU A 57 -6.475 2.360 3.195 1.00 74.21 C ATOM 870 CG LEU A 57 -5.432 1.665 4.071 1.00 50.25 C ATOM 871 CD1 LEU A 57 -4.961 0.375 3.418 1.00 61.03 C ATOM 872 CD2 LEU A 57 -4.255 2.592 4.334 1.00 4.44 C ATOM 0 H LEU A 57 -5.894 4.676 2.590 1.00 32.13 H new ATOM 0 HA LEU A 57 -5.087 2.229 1.558 1.00 12.55 H new ATOM 0 HB2 LEU A 57 -6.806 3.264 3.707 1.00 74.21 H new ATOM 0 HB3 LEU A 57 -7.343 1.706 3.110 1.00 74.21 H new ATOM 0 HG LEU A 57 -5.894 1.417 5.026 1.00 50.25 H new ATOM 0 HD11 LEU A 57 -4.219 -0.106 4.056 1.00 61.03 H new ATOM 0 HD12 LEU A 57 -5.810 -0.295 3.281 1.00 61.03 H new ATOM 0 HD13 LEU A 57 -4.516 0.599 2.449 1.00 61.03 H new ATOM 0 HD21 LEU A 57 -3.522 2.081 4.959 1.00 4.44 H new ATOM 0 HD22 LEU A 57 -3.793 2.871 3.387 1.00 4.44 H new ATOM 0 HD23 LEU A 57 -4.605 3.489 4.845 1.00 4.44 H new ATOM 884 N ASP A 58 -7.986 3.218 0.446 1.00 31.01 N ATOM 885 CA ASP A 58 -9.042 2.932 -0.519 1.00 25.33 C ATOM 886 C ASP A 58 -8.459 2.702 -1.910 1.00 4.24 C ATOM 887 O ASP A 58 -8.694 1.664 -2.527 1.00 64.02 O ATOM 888 CB ASP A 58 -10.051 4.080 -0.558 1.00 40.03 C ATOM 889 CG ASP A 58 -10.457 4.542 0.827 1.00 2.24 C ATOM 890 OD1 ASP A 58 -10.380 3.727 1.770 1.00 3.33 O ATOM 891 OD2 ASP A 58 -10.852 5.718 0.969 1.00 54.42 O ATOM 0 H ASP A 58 -8.019 4.158 0.841 1.00 31.01 H new ATOM 0 HA ASP A 58 -9.552 2.022 -0.204 1.00 25.33 H new ATOM 0 HB2 ASP A 58 -9.622 4.919 -1.106 1.00 40.03 H new ATOM 0 HB3 ASP A 58 -10.938 3.762 -1.106 1.00 40.03 H new ATOM 896 N GLN A 59 -7.699 3.678 -2.396 1.00 0.52 N ATOM 897 CA GLN A 59 -7.084 3.583 -3.715 1.00 34.24 C ATOM 898 C GLN A 59 -6.231 2.324 -3.828 1.00 33.34 C ATOM 899 O GLN A 59 -6.270 1.624 -4.841 1.00 23.25 O ATOM 900 CB GLN A 59 -6.228 4.820 -3.993 1.00 35.25 C ATOM 901 CG GLN A 59 -6.859 5.786 -4.983 1.00 23.32 C ATOM 902 CD GLN A 59 -8.132 6.415 -4.454 1.00 54.21 C ATOM 903 OE1 GLN A 59 -9.032 5.720 -3.980 1.00 43.24 O ATOM 904 NE2 GLN A 59 -8.216 7.738 -4.532 1.00 41.22 N ATOM 0 H GLN A 59 -7.494 4.543 -1.896 1.00 0.52 H new ATOM 0 HA GLN A 59 -7.881 3.528 -4.456 1.00 34.24 H new ATOM 0 HB2 GLN A 59 -6.044 5.343 -3.054 1.00 35.25 H new ATOM 0 HB3 GLN A 59 -5.258 4.502 -4.376 1.00 35.25 H new ATOM 0 HG2 GLN A 59 -6.143 6.572 -5.225 1.00 23.32 H new ATOM 0 HG3 GLN A 59 -7.078 5.258 -5.911 1.00 23.32 H new ATOM 0 HE21 GLN A 59 -7.447 8.275 -4.932 1.00 41.22 H new ATOM 0 HE22 GLN A 59 -9.050 8.217 -4.192 1.00 41.22 H new ATOM 913 N LEU A 60 -5.462 2.041 -2.782 1.00 64.14 N ATOM 914 CA LEU A 60 -4.598 0.865 -2.764 1.00 41.41 C ATOM 915 C LEU A 60 -5.421 -0.416 -2.845 1.00 62.34 C ATOM 916 O LEU A 60 -5.201 -1.252 -3.722 1.00 24.53 O ATOM 917 CB LEU A 60 -3.743 0.856 -1.496 1.00 3.42 C ATOM 918 CG LEU A 60 -2.337 0.271 -1.638 1.00 73.11 C ATOM 919 CD1 LEU A 60 -2.402 -1.143 -2.194 1.00 20.31 C ATOM 920 CD2 LEU A 60 -1.478 1.157 -2.528 1.00 71.12 C ATOM 0 H LEU A 60 -5.419 2.609 -1.936 1.00 64.14 H new ATOM 0 HA LEU A 60 -3.945 0.911 -3.635 1.00 41.41 H new ATOM 0 HB2 LEU A 60 -3.654 1.881 -1.135 1.00 3.42 H new ATOM 0 HB3 LEU A 60 -4.273 0.293 -0.728 1.00 3.42 H new ATOM 0 HG LEU A 60 -1.879 0.231 -0.650 1.00 73.11 H new ATOM 0 HD11 LEU A 60 -1.393 -1.544 -2.288 1.00 20.31 H new ATOM 0 HD12 LEU A 60 -2.981 -1.773 -1.519 1.00 20.31 H new ATOM 0 HD13 LEU A 60 -2.879 -1.127 -3.174 1.00 20.31 H new ATOM 0 HD21 LEU A 60 -0.481 0.725 -2.618 1.00 71.12 H new ATOM 0 HD22 LEU A 60 -1.932 1.230 -3.516 1.00 71.12 H new ATOM 0 HD23 LEU A 60 -1.404 2.152 -2.089 1.00 71.12 H new ATOM 932 N ARG A 61 -6.371 -0.563 -1.927 1.00 43.35 N ATOM 933 CA ARG A 61 -7.227 -1.742 -1.896 1.00 55.10 C ATOM 934 C ARG A 61 -7.987 -1.897 -3.210 1.00 62.44 C ATOM 935 O ARG A 61 -8.267 -3.014 -3.649 1.00 54.44 O ATOM 936 CB ARG A 61 -8.215 -1.650 -0.732 1.00 15.33 C ATOM 937 CG ARG A 61 -9.040 -2.911 -0.531 1.00 40.23 C ATOM 938 CD ARG A 61 -10.114 -2.712 0.527 1.00 51.24 C ATOM 939 NE ARG A 61 -11.403 -3.255 0.107 1.00 52.34 N ATOM 940 CZ ARG A 61 -12.153 -2.713 -0.846 1.00 55.23 C ATOM 941 NH1 ARG A 61 -11.745 -1.619 -1.475 1.00 21.31 N ATOM 942 NH2 ARG A 61 -13.315 -3.265 -1.172 1.00 60.35 N ATOM 0 H ARG A 61 -6.567 0.120 -1.195 1.00 43.35 H new ATOM 0 HA ARG A 61 -6.592 -2.617 -1.758 1.00 55.10 H new ATOM 0 HB2 ARG A 61 -7.665 -1.436 0.184 1.00 15.33 H new ATOM 0 HB3 ARG A 61 -8.888 -0.810 -0.903 1.00 15.33 H new ATOM 0 HG2 ARG A 61 -9.506 -3.197 -1.474 1.00 40.23 H new ATOM 0 HG3 ARG A 61 -8.386 -3.732 -0.237 1.00 40.23 H new ATOM 0 HD2 ARG A 61 -9.803 -3.193 1.454 1.00 51.24 H new ATOM 0 HD3 ARG A 61 -10.221 -1.648 0.740 1.00 51.24 H new ATOM 0 HE ARG A 61 -11.746 -4.096 0.571 1.00 52.34 H new ATOM 0 HH11 ARG A 61 -10.853 -1.191 -1.227 1.00 21.31 H new ATOM 0 HH12 ARG A 61 -12.323 -1.205 -2.206 1.00 21.31 H new ATOM 0 HH21 ARG A 61 -13.633 -4.106 -0.691 1.00 60.35 H new ATOM 0 HH22 ARG A 61 -13.890 -2.848 -1.904 1.00 60.35 H new ATOM 956 N LEU A 62 -8.317 -0.772 -3.833 1.00 52.44 N ATOM 957 CA LEU A 62 -9.045 -0.782 -5.098 1.00 23.12 C ATOM 958 C LEU A 62 -8.168 -1.315 -6.226 1.00 43.13 C ATOM 959 O LEU A 62 -8.609 -2.128 -7.039 1.00 10.50 O ATOM 960 CB LEU A 62 -9.534 0.626 -5.439 1.00 14.43 C ATOM 961 CG LEU A 62 -10.793 0.709 -6.304 1.00 24.41 C ATOM 962 CD1 LEU A 62 -10.546 0.078 -7.666 1.00 32.25 C ATOM 963 CD2 LEU A 62 -11.965 0.034 -5.606 1.00 3.31 C ATOM 0 H LEU A 62 -8.092 0.160 -3.483 1.00 52.44 H new ATOM 0 HA LEU A 62 -9.906 -1.442 -4.988 1.00 23.12 H new ATOM 0 HB2 LEU A 62 -9.722 1.159 -4.507 1.00 14.43 H new ATOM 0 HB3 LEU A 62 -8.730 1.154 -5.952 1.00 14.43 H new ATOM 0 HG LEU A 62 -11.041 1.760 -6.452 1.00 24.41 H new ATOM 0 HD11 LEU A 62 -11.452 0.146 -8.268 1.00 32.25 H new ATOM 0 HD12 LEU A 62 -9.735 0.605 -8.169 1.00 32.25 H new ATOM 0 HD13 LEU A 62 -10.273 -0.970 -7.538 1.00 32.25 H new ATOM 0 HD21 LEU A 62 -12.852 0.103 -6.236 1.00 3.31 H new ATOM 0 HD22 LEU A 62 -11.727 -1.015 -5.427 1.00 3.31 H new ATOM 0 HD23 LEU A 62 -12.156 0.530 -4.654 1.00 3.31 H new ATOM 975 N VAL A 63 -6.922 -0.853 -6.269 1.00 61.12 N ATOM 976 CA VAL A 63 -5.981 -1.286 -7.296 1.00 12.42 C ATOM 977 C VAL A 63 -5.737 -2.788 -7.219 1.00 65.41 C ATOM 978 O VAL A 63 -5.583 -3.455 -8.243 1.00 21.43 O ATOM 979 CB VAL A 63 -4.634 -0.550 -7.168 1.00 40.02 C ATOM 980 CG1 VAL A 63 -3.657 -1.038 -8.227 1.00 24.03 C ATOM 981 CG2 VAL A 63 -4.837 0.954 -7.271 1.00 42.11 C ATOM 0 H VAL A 63 -6.541 -0.179 -5.605 1.00 61.12 H new ATOM 0 HA VAL A 63 -6.429 -1.043 -8.260 1.00 12.42 H new ATOM 0 HB VAL A 63 -4.211 -0.770 -6.188 1.00 40.02 H new ATOM 0 HG11 VAL A 63 -2.711 -0.507 -8.121 1.00 24.03 H new ATOM 0 HG12 VAL A 63 -3.489 -2.108 -8.102 1.00 24.03 H new ATOM 0 HG13 VAL A 63 -4.070 -0.849 -9.218 1.00 24.03 H new ATOM 0 HG21 VAL A 63 -3.875 1.458 -7.178 1.00 42.11 H new ATOM 0 HG22 VAL A 63 -5.282 1.196 -8.236 1.00 42.11 H new ATOM 0 HG23 VAL A 63 -5.500 1.287 -6.472 1.00 42.11 H new ATOM 991 N ILE A 64 -5.702 -3.315 -6.000 1.00 30.03 N ATOM 992 CA ILE A 64 -5.478 -4.740 -5.790 1.00 4.14 C ATOM 993 C ILE A 64 -6.620 -5.568 -6.370 1.00 4.45 C ATOM 994 O ILE A 64 -6.401 -6.447 -7.204 1.00 11.22 O ATOM 995 CB ILE A 64 -5.327 -5.071 -4.293 1.00 63.42 C ATOM 996 CG1 ILE A 64 -4.163 -4.283 -3.689 1.00 21.13 C ATOM 997 CG2 ILE A 64 -5.118 -6.566 -4.100 1.00 70.03 C ATOM 998 CD1 ILE A 64 -4.216 -4.189 -2.180 1.00 21.01 C ATOM 0 H ILE A 64 -5.826 -2.777 -5.143 1.00 30.03 H new ATOM 0 HA ILE A 64 -4.551 -4.993 -6.305 1.00 4.14 H new ATOM 0 HB ILE A 64 -6.243 -4.782 -3.778 1.00 63.42 H new ATOM 0 HG12 ILE A 64 -3.225 -4.754 -3.983 1.00 21.13 H new ATOM 0 HG13 ILE A 64 -4.160 -3.277 -4.108 1.00 21.13 H new ATOM 0 HG21 ILE A 64 -5.013 -6.784 -3.037 1.00 70.03 H new ATOM 0 HG22 ILE A 64 -5.976 -7.108 -4.499 1.00 70.03 H new ATOM 0 HG23 ILE A 64 -4.215 -6.878 -4.626 1.00 70.03 H new ATOM 0 HD11 ILE A 64 -3.360 -3.617 -1.821 1.00 21.01 H new ATOM 0 HD12 ILE A 64 -5.138 -3.691 -1.879 1.00 21.01 H new ATOM 0 HD13 ILE A 64 -4.188 -5.191 -1.752 1.00 21.01 H new ATOM 1010 N CYS A 65 -7.837 -5.279 -5.924 1.00 32.43 N ATOM 1011 CA CYS A 65 -9.015 -5.997 -6.399 1.00 51.52 C ATOM 1012 C CYS A 65 -9.072 -5.998 -7.923 1.00 70.43 C ATOM 1013 O CYS A 65 -9.434 -7.001 -8.540 1.00 4.22 O ATOM 1014 CB CYS A 65 -10.286 -5.365 -5.830 1.00 74.20 C ATOM 1015 SG CYS A 65 -10.953 -6.223 -4.385 1.00 12.14 S ATOM 0 H CYS A 65 -8.034 -4.553 -5.235 1.00 32.43 H new ATOM 0 HA CYS A 65 -8.945 -7.029 -6.055 1.00 51.52 H new ATOM 0 HB2 CYS A 65 -10.075 -4.330 -5.560 1.00 74.20 H new ATOM 0 HB3 CYS A 65 -11.048 -5.342 -6.609 1.00 74.20 H new ATOM 0 HG CYS A 65 -12.025 -5.613 -3.975 1.00 12.14 H new ATOM 1021 N ASP A 66 -8.714 -4.869 -8.525 1.00 33.23 N ATOM 1022 CA ASP A 66 -8.725 -4.740 -9.977 1.00 52.22 C ATOM 1023 C ASP A 66 -7.597 -5.554 -10.604 1.00 34.03 C ATOM 1024 O ASP A 66 -7.815 -6.307 -11.554 1.00 44.33 O ATOM 1025 CB ASP A 66 -8.595 -3.270 -10.381 1.00 20.33 C ATOM 1026 CG ASP A 66 -9.911 -2.524 -10.283 1.00 73.44 C ATOM 1027 OD1 ASP A 66 -10.700 -2.831 -9.365 1.00 41.03 O ATOM 1028 OD2 ASP A 66 -10.153 -1.635 -11.126 1.00 52.30 O ATOM 0 H ASP A 66 -8.413 -4.030 -8.029 1.00 33.23 H new ATOM 0 HA ASP A 66 -9.676 -5.127 -10.344 1.00 52.22 H new ATOM 0 HB2 ASP A 66 -7.857 -2.785 -9.742 1.00 20.33 H new ATOM 0 HB3 ASP A 66 -8.221 -3.209 -11.403 1.00 20.33 H new ATOM 1033 N LEU A 67 -6.393 -5.398 -10.066 1.00 43.31 N ATOM 1034 CA LEU A 67 -5.230 -6.118 -10.573 1.00 5.31 C ATOM 1035 C LEU A 67 -5.465 -7.624 -10.540 1.00 24.44 C ATOM 1036 O LEU A 67 -5.201 -8.324 -11.517 1.00 33.31 O ATOM 1037 CB LEU A 67 -3.989 -5.765 -9.750 1.00 61.34 C ATOM 1038 CG LEU A 67 -2.646 -5.901 -10.469 1.00 71.12 C ATOM 1039 CD1 LEU A 67 -2.394 -7.349 -10.860 1.00 51.12 C ATOM 1040 CD2 LEU A 67 -2.604 -5.001 -11.695 1.00 50.51 C ATOM 0 H LEU A 67 -6.196 -4.780 -9.279 1.00 43.31 H new ATOM 0 HA LEU A 67 -5.070 -5.817 -11.608 1.00 5.31 H new ATOM 0 HB2 LEU A 67 -4.089 -4.737 -9.401 1.00 61.34 H new ATOM 0 HB3 LEU A 67 -3.971 -6.402 -8.865 1.00 61.34 H new ATOM 0 HG LEU A 67 -1.857 -5.588 -9.786 1.00 71.12 H new ATOM 0 HD11 LEU A 67 -1.434 -7.426 -11.370 1.00 51.12 H new ATOM 0 HD12 LEU A 67 -2.380 -7.970 -9.965 1.00 51.12 H new ATOM 0 HD13 LEU A 67 -3.187 -7.689 -11.526 1.00 51.12 H new ATOM 0 HD21 LEU A 67 -1.641 -5.111 -12.194 1.00 50.51 H new ATOM 0 HD22 LEU A 67 -3.403 -5.283 -12.381 1.00 50.51 H new ATOM 0 HD23 LEU A 67 -2.738 -3.963 -11.389 1.00 50.51 H new ATOM 1052 N GLN A 68 -5.963 -8.115 -9.410 1.00 33.53 N ATOM 1053 CA GLN A 68 -6.235 -9.539 -9.251 1.00 33.15 C ATOM 1054 C GLN A 68 -7.452 -9.956 -10.070 1.00 13.22 C ATOM 1055 O GLN A 68 -7.580 -11.115 -10.462 1.00 50.14 O ATOM 1056 CB GLN A 68 -6.460 -9.875 -7.775 1.00 65.22 C ATOM 1057 CG GLN A 68 -6.007 -11.276 -7.395 1.00 1.44 C ATOM 1058 CD GLN A 68 -7.160 -12.254 -7.291 1.00 14.33 C ATOM 1059 OE1 GLN A 68 -7.553 -12.579 -6.064 1.00 53.24 O flip ATOM 1060 NE2 GLN A 68 -7.693 -12.713 -8.301 1.00 42.53 N flip ATOM 0 H GLN A 68 -6.186 -7.549 -8.592 1.00 33.53 H new ATOM 0 HA GLN A 68 -5.368 -10.091 -9.615 1.00 33.15 H new ATOM 0 HB2 GLN A 68 -5.926 -9.150 -7.160 1.00 65.22 H new ATOM 0 HB3 GLN A 68 -7.520 -9.770 -7.544 1.00 65.22 H new ATOM 0 HG2 GLN A 68 -5.295 -11.637 -8.137 1.00 1.44 H new ATOM 0 HG3 GLN A 68 -5.481 -11.237 -6.441 1.00 1.44 H new ATOM 0 HE21 GLN A 68 -7.359 -12.436 -9.224 1.00 42.53 H new ATOM 0 HE22 GLN A 68 -8.468 -13.370 -8.215 1.00 42.53 H new ATOM 1069 N GLU A 69 -8.344 -9.002 -10.323 1.00 64.54 N ATOM 1070 CA GLU A 69 -9.551 -9.272 -11.095 1.00 60.31 C ATOM 1071 C GLU A 69 -9.212 -9.545 -12.558 1.00 31.32 C ATOM 1072 O GLU A 69 -9.485 -10.628 -13.077 1.00 45.34 O ATOM 1073 CB GLU A 69 -10.520 -8.092 -10.996 1.00 73.55 C ATOM 1074 CG GLU A 69 -11.706 -8.198 -11.941 1.00 43.02 C ATOM 1075 CD GLU A 69 -12.750 -7.128 -11.688 1.00 73.33 C ATOM 1076 OE1 GLU A 69 -12.519 -5.967 -12.085 1.00 32.04 O ATOM 1077 OE2 GLU A 69 -13.799 -7.453 -11.094 1.00 34.52 O ATOM 0 H GLU A 69 -8.253 -8.037 -10.005 1.00 64.54 H new ATOM 0 HA GLU A 69 -10.027 -10.160 -10.679 1.00 60.31 H new ATOM 0 HB2 GLU A 69 -10.887 -8.019 -9.972 1.00 73.55 H new ATOM 0 HB3 GLU A 69 -9.979 -7.170 -11.207 1.00 73.55 H new ATOM 0 HG2 GLU A 69 -11.354 -8.121 -12.970 1.00 43.02 H new ATOM 0 HG3 GLU A 69 -12.165 -9.181 -11.834 1.00 43.02 H new ATOM 1084 N ARG A 70 -8.617 -8.556 -13.216 1.00 0.12 N ATOM 1085 CA ARG A 70 -8.242 -8.688 -14.619 1.00 14.14 C ATOM 1086 C ARG A 70 -7.266 -9.844 -14.814 1.00 73.41 C ATOM 1087 O ARG A 70 -7.473 -10.707 -15.668 1.00 15.12 O ATOM 1088 CB ARG A 70 -7.617 -7.387 -15.126 1.00 71.31 C ATOM 1089 CG ARG A 70 -8.151 -6.942 -16.478 1.00 2.23 C ATOM 1090 CD ARG A 70 -7.432 -5.699 -16.978 1.00 43.14 C ATOM 1091 NE ARG A 70 -8.088 -4.471 -16.536 1.00 71.44 N ATOM 1092 CZ ARG A 70 -7.835 -3.275 -17.055 1.00 4.13 C ATOM 1093 NH1 ARG A 70 -6.944 -3.146 -18.028 1.00 51.35 N ATOM 1094 NH2 ARG A 70 -8.473 -2.204 -16.599 1.00 60.53 N ATOM 0 H ARG A 70 -8.384 -7.654 -12.800 1.00 0.12 H new ATOM 0 HA ARG A 70 -9.145 -8.897 -15.193 1.00 14.14 H new ATOM 0 HB2 ARG A 70 -7.798 -6.598 -14.396 1.00 71.31 H new ATOM 0 HB3 ARG A 70 -6.537 -7.516 -15.196 1.00 71.31 H new ATOM 0 HG2 ARG A 70 -8.032 -7.749 -17.201 1.00 2.23 H new ATOM 0 HG3 ARG A 70 -9.219 -6.739 -16.400 1.00 2.23 H new ATOM 0 HD2 ARG A 70 -6.402 -5.708 -16.621 1.00 43.14 H new ATOM 0 HD3 ARG A 70 -7.392 -5.717 -18.067 1.00 43.14 H new ATOM 0 HE ARG A 70 -8.778 -4.536 -15.788 1.00 71.44 H new ATOM 0 HH11 ARG A 70 -6.451 -3.967 -18.380 1.00 51.35 H new ATOM 0 HH12 ARG A 70 -6.752 -2.226 -18.425 1.00 51.35 H new ATOM 0 HH21 ARG A 70 -9.158 -2.299 -15.849 1.00 60.53 H new ATOM 0 HH22 ARG A 70 -8.278 -1.286 -16.998 1.00 60.53 H new ATOM 1108 N ARG A 71 -6.202 -9.855 -14.018 1.00 12.20 N ATOM 1109 CA ARG A 71 -5.193 -10.904 -14.105 1.00 14.23 C ATOM 1110 C ARG A 71 -5.833 -12.284 -13.991 1.00 74.33 C ATOM 1111 O ARG A 71 -5.474 -13.207 -14.722 1.00 53.21 O ATOM 1112 CB ARG A 71 -4.145 -10.724 -13.006 1.00 25.23 C ATOM 1113 CG ARG A 71 -3.137 -9.624 -13.299 1.00 33.41 C ATOM 1114 CD ARG A 71 -2.324 -9.932 -14.546 1.00 51.25 C ATOM 1115 NE ARG A 71 -2.652 -9.032 -15.649 1.00 4.41 N ATOM 1116 CZ ARG A 71 -2.007 -9.027 -16.810 1.00 60.34 C ATOM 1117 NH1 ARG A 71 -1.006 -9.871 -17.020 1.00 70.10 N ATOM 1118 NH2 ARG A 71 -2.364 -8.178 -17.765 1.00 42.14 N ATOM 0 H ARG A 71 -6.016 -9.149 -13.305 1.00 12.20 H new ATOM 0 HA ARG A 71 -4.707 -10.827 -15.078 1.00 14.23 H new ATOM 0 HB2 ARG A 71 -4.651 -10.501 -12.067 1.00 25.23 H new ATOM 0 HB3 ARG A 71 -3.613 -11.665 -12.866 1.00 25.23 H new ATOM 0 HG2 ARG A 71 -3.659 -8.676 -13.428 1.00 33.41 H new ATOM 0 HG3 ARG A 71 -2.468 -9.506 -12.447 1.00 33.41 H new ATOM 0 HD2 ARG A 71 -1.262 -9.851 -14.315 1.00 51.25 H new ATOM 0 HD3 ARG A 71 -2.506 -10.962 -14.852 1.00 51.25 H new ATOM 0 HE ARG A 71 -3.418 -8.371 -15.520 1.00 4.41 H new ATOM 0 HH11 ARG A 71 -0.730 -10.526 -16.289 1.00 70.10 H new ATOM 0 HH12 ARG A 71 -0.513 -9.865 -17.913 1.00 70.10 H new ATOM 0 HH21 ARG A 71 -3.134 -7.528 -17.608 1.00 42.14 H new ATOM 0 HH22 ARG A 71 -1.868 -8.175 -18.656 1.00 42.14 H new ATOM 1132 N GLU A 72 -6.782 -12.417 -13.070 1.00 34.22 N ATOM 1133 CA GLU A 72 -7.471 -13.685 -12.860 1.00 63.55 C ATOM 1134 C GLU A 72 -8.161 -14.147 -14.140 1.00 73.44 C ATOM 1135 O GLU A 72 -8.003 -15.292 -14.567 1.00 51.50 O ATOM 1136 CB GLU A 72 -8.497 -13.554 -11.733 1.00 61.31 C ATOM 1137 CG GLU A 72 -9.385 -14.777 -11.573 1.00 50.31 C ATOM 1138 CD GLU A 72 -8.591 -16.065 -11.468 1.00 14.41 C ATOM 1139 OE1 GLU A 72 -7.433 -16.011 -11.005 1.00 1.55 O ATOM 1140 OE2 GLU A 72 -9.128 -17.126 -11.849 1.00 12.33 O ATOM 0 H GLU A 72 -7.091 -11.662 -12.457 1.00 34.22 H new ATOM 0 HA GLU A 72 -6.727 -14.431 -12.579 1.00 63.55 H new ATOM 0 HB2 GLU A 72 -7.973 -13.371 -10.795 1.00 61.31 H new ATOM 0 HB3 GLU A 72 -9.124 -12.683 -11.923 1.00 61.31 H new ATOM 0 HG2 GLU A 72 -10.000 -14.660 -10.681 1.00 50.31 H new ATOM 0 HG3 GLU A 72 -10.064 -14.842 -12.423 1.00 50.31 H new ATOM 1147 N LYS A 73 -8.929 -13.249 -14.749 1.00 23.42 N ATOM 1148 CA LYS A 73 -9.644 -13.562 -15.980 1.00 70.12 C ATOM 1149 C LYS A 73 -8.682 -14.047 -17.060 1.00 70.01 C ATOM 1150 O LYS A 73 -9.014 -14.931 -17.850 1.00 54.11 O ATOM 1151 CB LYS A 73 -10.407 -12.332 -16.477 1.00 74.32 C ATOM 1152 CG LYS A 73 -11.896 -12.378 -16.178 1.00 62.51 C ATOM 1153 CD LYS A 73 -12.630 -11.212 -16.818 1.00 5.44 C ATOM 1154 CE LYS A 73 -14.115 -11.502 -16.968 1.00 20.04 C ATOM 1155 NZ LYS A 73 -14.365 -12.672 -17.854 1.00 64.13 N ATOM 0 H LYS A 73 -9.072 -12.298 -14.409 1.00 23.42 H new ATOM 0 HA LYS A 73 -10.354 -14.361 -15.765 1.00 70.12 H new ATOM 0 HB2 LYS A 73 -9.980 -11.440 -16.018 1.00 74.32 H new ATOM 0 HB3 LYS A 73 -10.264 -12.236 -17.553 1.00 74.32 H new ATOM 0 HG2 LYS A 73 -12.313 -13.316 -16.544 1.00 62.51 H new ATOM 0 HG3 LYS A 73 -12.052 -12.359 -15.099 1.00 62.51 H new ATOM 0 HD2 LYS A 73 -12.493 -10.317 -16.211 1.00 5.44 H new ATOM 0 HD3 LYS A 73 -12.199 -11.002 -17.797 1.00 5.44 H new ATOM 0 HE2 LYS A 73 -14.549 -11.691 -15.986 1.00 20.04 H new ATOM 0 HE3 LYS A 73 -14.617 -10.624 -17.375 1.00 20.04 H new ATOM 0 HZ1 LYS A 73 -15.060 -12.413 -18.583 1.00 64.13 H new ATOM 0 HZ2 LYS A 73 -13.475 -12.958 -18.310 1.00 64.13 H new ATOM 0 HZ3 LYS A 73 -14.734 -13.463 -17.289 1.00 64.13 H new ATOM 1169 N PHE A 74 -7.488 -13.464 -17.088 1.00 31.24 N ATOM 1170 CA PHE A 74 -6.478 -13.838 -18.070 1.00 45.44 C ATOM 1171 C PHE A 74 -5.792 -15.143 -17.676 1.00 42.45 C ATOM 1172 O PHE A 74 -5.282 -15.870 -18.527 1.00 61.24 O ATOM 1173 CB PHE A 74 -5.437 -12.724 -18.212 1.00 34.40 C ATOM 1174 CG PHE A 74 -4.621 -12.824 -19.469 1.00 5.55 C ATOM 1175 CD1 PHE A 74 -5.078 -12.269 -20.653 1.00 61.43 C ATOM 1176 CD2 PHE A 74 -3.395 -13.470 -19.465 1.00 32.22 C ATOM 1177 CE1 PHE A 74 -4.328 -12.360 -21.811 1.00 55.00 C ATOM 1178 CE2 PHE A 74 -2.641 -13.563 -20.619 1.00 71.55 C ATOM 1179 CZ PHE A 74 -3.108 -13.007 -21.794 1.00 11.31 C ATOM 0 H PHE A 74 -7.197 -12.731 -16.442 1.00 31.24 H new ATOM 0 HA PHE A 74 -6.976 -13.985 -19.028 1.00 45.44 H new ATOM 0 HB2 PHE A 74 -5.944 -11.759 -18.193 1.00 34.40 H new ATOM 0 HB3 PHE A 74 -4.769 -12.750 -17.351 1.00 34.40 H new ATOM 0 HD1 PHE A 74 -6.030 -11.760 -20.672 1.00 61.43 H new ATOM 0 HD2 PHE A 74 -3.025 -13.906 -18.549 1.00 32.22 H new ATOM 0 HE1 PHE A 74 -4.696 -11.925 -22.729 1.00 55.00 H new ATOM 0 HE2 PHE A 74 -1.687 -14.070 -20.602 1.00 71.55 H new ATOM 0 HZ PHE A 74 -2.520 -13.078 -22.697 1.00 11.31 H new ATOM 1189 N GLY A 75 -5.784 -15.432 -16.379 1.00 4.24 N ATOM 1190 CA GLY A 75 -5.158 -16.648 -15.894 1.00 3.14 C ATOM 1191 C GLY A 75 -4.217 -16.393 -14.733 1.00 2.41 C ATOM 1192 O GLY A 75 -3.888 -15.245 -14.432 1.00 73.02 O ATOM 0 H GLY A 75 -6.200 -14.846 -15.655 1.00 4.24 H new ATOM 0 HA2 GLY A 75 -5.930 -17.352 -15.584 1.00 3.14 H new ATOM 0 HA3 GLY A 75 -4.607 -17.119 -16.708 1.00 3.14 H new ATOM 1196 N SER A 76 -3.783 -17.465 -14.078 1.00 12.33 N ATOM 1197 CA SER A 76 -2.879 -17.351 -12.940 1.00 4.04 C ATOM 1198 C SER A 76 -1.426 -17.498 -13.383 1.00 73.31 C ATOM 1199 O SER A 76 -1.142 -18.070 -14.435 1.00 70.33 O ATOM 1200 CB SER A 76 -3.213 -18.411 -11.888 1.00 4.31 C ATOM 1201 OG SER A 76 -4.596 -18.407 -11.581 1.00 52.25 O ATOM 0 H SER A 76 -4.043 -18.422 -14.316 1.00 12.33 H new ATOM 0 HA SER A 76 -3.009 -16.361 -12.502 1.00 4.04 H new ATOM 0 HB2 SER A 76 -2.921 -19.395 -12.254 1.00 4.31 H new ATOM 0 HB3 SER A 76 -2.636 -18.224 -10.983 1.00 4.31 H new ATOM 0 HG SER A 76 -4.784 -19.094 -10.908 1.00 52.25 H new ATOM 1207 N SER A 77 -0.511 -16.978 -12.572 1.00 42.42 N ATOM 1208 CA SER A 77 0.912 -17.047 -12.882 1.00 5.14 C ATOM 1209 C SER A 77 1.748 -16.537 -11.712 1.00 2.34 C ATOM 1210 O SER A 77 1.293 -15.709 -10.922 1.00 32.11 O ATOM 1211 CB SER A 77 1.223 -16.232 -14.139 1.00 21.04 C ATOM 1212 OG SER A 77 1.562 -14.896 -13.809 1.00 64.14 O ATOM 0 H SER A 77 -0.729 -16.504 -11.695 1.00 42.42 H new ATOM 0 HA SER A 77 1.169 -18.091 -13.062 1.00 5.14 H new ATOM 0 HB2 SER A 77 2.046 -16.696 -14.683 1.00 21.04 H new ATOM 0 HB3 SER A 77 0.359 -16.238 -14.803 1.00 21.04 H new ATOM 0 HG SER A 77 1.758 -14.396 -14.629 1.00 64.14 H new ATOM 1218 N LYS A 78 2.975 -17.037 -11.607 1.00 12.45 N ATOM 1219 CA LYS A 78 3.877 -16.632 -10.535 1.00 21.41 C ATOM 1220 C LYS A 78 3.990 -15.113 -10.463 1.00 1.11 C ATOM 1221 O LYS A 78 4.085 -14.540 -9.378 1.00 42.12 O ATOM 1222 CB LYS A 78 5.262 -17.248 -10.747 1.00 0.10 C ATOM 1223 CG LYS A 78 5.273 -18.764 -10.662 1.00 60.45 C ATOM 1224 CD LYS A 78 6.021 -19.383 -11.832 1.00 12.32 C ATOM 1225 CE LYS A 78 7.486 -19.615 -11.496 1.00 60.13 C ATOM 1226 NZ LYS A 78 7.656 -20.660 -10.449 1.00 63.45 N ATOM 0 H LYS A 78 3.367 -17.723 -12.251 1.00 12.45 H new ATOM 0 HA LYS A 78 3.466 -16.992 -9.592 1.00 21.41 H new ATOM 0 HB2 LYS A 78 5.640 -16.945 -11.723 1.00 0.10 H new ATOM 0 HB3 LYS A 78 5.947 -16.846 -10.001 1.00 0.10 H new ATOM 0 HG2 LYS A 78 5.739 -19.073 -9.726 1.00 60.45 H new ATOM 0 HG3 LYS A 78 4.249 -19.136 -10.646 1.00 60.45 H new ATOM 0 HD2 LYS A 78 5.554 -20.330 -12.104 1.00 12.32 H new ATOM 0 HD3 LYS A 78 5.945 -18.729 -12.701 1.00 12.32 H new ATOM 0 HE2 LYS A 78 8.022 -19.913 -12.397 1.00 60.13 H new ATOM 0 HE3 LYS A 78 7.932 -18.681 -11.153 1.00 60.13 H new ATOM 0 HZ1 LYS A 78 8.605 -21.079 -10.527 1.00 63.45 H new ATOM 0 HZ2 LYS A 78 7.544 -20.231 -9.508 1.00 63.45 H new ATOM 0 HZ3 LYS A 78 6.938 -21.402 -10.579 1.00 63.45 H new ATOM 1240 N GLU A 79 3.978 -14.467 -11.625 1.00 35.31 N ATOM 1241 CA GLU A 79 4.078 -13.014 -11.692 1.00 21.13 C ATOM 1242 C GLU A 79 2.834 -12.355 -11.102 1.00 65.00 C ATOM 1243 O GLU A 79 2.926 -11.340 -10.411 1.00 52.22 O ATOM 1244 CB GLU A 79 4.271 -12.560 -13.140 1.00 61.01 C ATOM 1245 CG GLU A 79 5.729 -12.442 -13.552 1.00 30.02 C ATOM 1246 CD GLU A 79 5.897 -12.184 -15.036 1.00 52.55 C ATOM 1247 OE1 GLU A 79 5.689 -11.029 -15.464 1.00 54.32 O ATOM 1248 OE2 GLU A 79 6.236 -13.135 -15.770 1.00 71.14 O ATOM 0 H GLU A 79 3.900 -14.927 -12.532 1.00 35.31 H new ATOM 0 HA GLU A 79 4.944 -12.708 -11.105 1.00 21.13 H new ATOM 0 HB2 GLU A 79 3.771 -13.266 -13.803 1.00 61.01 H new ATOM 0 HB3 GLU A 79 3.784 -11.594 -13.277 1.00 61.01 H new ATOM 0 HG2 GLU A 79 6.197 -11.633 -12.991 1.00 30.02 H new ATOM 0 HG3 GLU A 79 6.253 -13.359 -13.285 1.00 30.02 H new ATOM 1255 N ILE A 80 1.674 -12.939 -11.380 1.00 61.43 N ATOM 1256 CA ILE A 80 0.413 -12.410 -10.878 1.00 14.25 C ATOM 1257 C ILE A 80 0.303 -12.591 -9.367 1.00 61.45 C ATOM 1258 O ILE A 80 0.137 -11.623 -8.626 1.00 13.21 O ATOM 1259 CB ILE A 80 -0.793 -13.089 -11.554 1.00 23.52 C ATOM 1260 CG1 ILE A 80 -0.748 -12.868 -13.067 1.00 52.30 C ATOM 1261 CG2 ILE A 80 -2.095 -12.558 -10.973 1.00 63.22 C ATOM 1262 CD1 ILE A 80 -1.298 -14.030 -13.864 1.00 51.44 C ATOM 0 H ILE A 80 1.581 -13.779 -11.951 1.00 61.43 H new ATOM 0 HA ILE A 80 0.401 -11.346 -11.116 1.00 14.25 H new ATOM 0 HB ILE A 80 -0.743 -14.161 -11.361 1.00 23.52 H new ATOM 0 HG12 ILE A 80 -1.315 -11.970 -13.312 1.00 52.30 H new ATOM 0 HG13 ILE A 80 0.283 -12.687 -13.369 1.00 52.30 H new ATOM 0 HG21 ILE A 80 -2.938 -13.048 -11.461 1.00 63.22 H new ATOM 0 HG22 ILE A 80 -2.126 -12.763 -9.903 1.00 63.22 H new ATOM 0 HG23 ILE A 80 -2.155 -11.482 -11.138 1.00 63.22 H new ATOM 0 HD11 ILE A 80 -1.235 -13.804 -14.928 1.00 51.44 H new ATOM 0 HD12 ILE A 80 -0.717 -14.927 -13.648 1.00 51.44 H new ATOM 0 HD13 ILE A 80 -2.340 -14.198 -13.590 1.00 51.44 H new ATOM 1274 N ASP A 81 0.399 -13.838 -8.919 1.00 3.04 N ATOM 1275 CA ASP A 81 0.314 -14.147 -7.496 1.00 61.10 C ATOM 1276 C ASP A 81 1.289 -13.290 -6.694 1.00 73.13 C ATOM 1277 O ASP A 81 0.984 -12.862 -5.581 1.00 73.35 O ATOM 1278 CB ASP A 81 0.603 -15.630 -7.256 1.00 41.23 C ATOM 1279 CG ASP A 81 0.889 -15.936 -5.799 1.00 42.33 C ATOM 1280 OD1 ASP A 81 2.054 -15.778 -5.377 1.00 41.31 O ATOM 1281 OD2 ASP A 81 -0.052 -16.332 -5.081 1.00 21.31 O ATOM 0 H ASP A 81 0.536 -14.651 -9.520 1.00 3.04 H new ATOM 0 HA ASP A 81 -0.699 -13.923 -7.161 1.00 61.10 H new ATOM 0 HB2 ASP A 81 -0.250 -16.222 -7.588 1.00 41.23 H new ATOM 0 HB3 ASP A 81 1.456 -15.934 -7.862 1.00 41.23 H new ATOM 1286 N MET A 82 2.462 -13.044 -7.267 1.00 64.54 N ATOM 1287 CA MET A 82 3.482 -12.238 -6.606 1.00 33.43 C ATOM 1288 C MET A 82 3.059 -10.774 -6.539 1.00 75.33 C ATOM 1289 O MET A 82 3.212 -10.121 -5.508 1.00 15.30 O ATOM 1290 CB MET A 82 4.817 -12.362 -7.341 1.00 64.43 C ATOM 1291 CG MET A 82 5.602 -13.610 -6.970 1.00 20.20 C ATOM 1292 SD MET A 82 7.116 -13.791 -7.932 1.00 42.51 S ATOM 1293 CE MET A 82 7.493 -15.519 -7.650 1.00 53.23 C ATOM 0 H MET A 82 2.730 -13.391 -8.188 1.00 64.54 H new ATOM 0 HA MET A 82 3.600 -12.611 -5.589 1.00 33.43 H new ATOM 0 HB2 MET A 82 4.632 -12.365 -8.415 1.00 64.43 H new ATOM 0 HB3 MET A 82 5.424 -11.483 -7.125 1.00 64.43 H new ATOM 0 HG2 MET A 82 5.852 -13.575 -5.910 1.00 20.20 H new ATOM 0 HG3 MET A 82 4.974 -14.488 -7.121 1.00 20.20 H new ATOM 0 HE1 MET A 82 8.321 -15.820 -8.292 1.00 53.23 H new ATOM 0 HE2 MET A 82 7.771 -15.665 -6.606 1.00 53.23 H new ATOM 0 HE3 MET A 82 6.617 -16.125 -7.880 1.00 53.23 H new ATOM 1303 N ALA A 83 2.526 -10.266 -7.646 1.00 23.01 N ATOM 1304 CA ALA A 83 2.080 -8.880 -7.712 1.00 32.10 C ATOM 1305 C ALA A 83 1.058 -8.580 -6.621 1.00 13.01 C ATOM 1306 O ALA A 83 1.147 -7.560 -5.937 1.00 42.33 O ATOM 1307 CB ALA A 83 1.494 -8.579 -9.084 1.00 3.04 C ATOM 0 H ALA A 83 2.393 -10.794 -8.509 1.00 23.01 H new ATOM 0 HA ALA A 83 2.945 -8.237 -7.550 1.00 32.10 H new ATOM 0 HB1 ALA A 83 1.165 -7.540 -9.119 1.00 3.04 H new ATOM 0 HB2 ALA A 83 2.253 -8.745 -9.848 1.00 3.04 H new ATOM 0 HB3 ALA A 83 0.644 -9.235 -9.268 1.00 3.04 H new ATOM 1313 N ILE A 84 0.087 -9.474 -6.464 1.00 3.03 N ATOM 1314 CA ILE A 84 -0.951 -9.304 -5.455 1.00 72.11 C ATOM 1315 C ILE A 84 -0.361 -9.322 -4.049 1.00 65.44 C ATOM 1316 O ILE A 84 -0.646 -8.447 -3.233 1.00 13.33 O ATOM 1317 CB ILE A 84 -2.026 -10.402 -5.563 1.00 25.32 C ATOM 1318 CG1 ILE A 84 -2.598 -10.449 -6.981 1.00 11.21 C ATOM 1319 CG2 ILE A 84 -3.132 -10.162 -4.547 1.00 30.24 C ATOM 1320 CD1 ILE A 84 -3.215 -9.142 -7.427 1.00 1.43 C ATOM 0 H ILE A 84 -0.002 -10.323 -7.022 1.00 3.03 H new ATOM 0 HA ILE A 84 -1.413 -8.334 -5.639 1.00 72.11 H new ATOM 0 HB ILE A 84 -1.564 -11.365 -5.347 1.00 25.32 H new ATOM 0 HG12 ILE A 84 -1.804 -10.722 -7.676 1.00 11.21 H new ATOM 0 HG13 ILE A 84 -3.352 -11.234 -7.034 1.00 11.21 H new ATOM 0 HG21 ILE A 84 -3.884 -10.946 -4.636 1.00 30.24 H new ATOM 0 HG22 ILE A 84 -2.711 -10.175 -3.541 1.00 30.24 H new ATOM 0 HG23 ILE A 84 -3.594 -9.193 -4.735 1.00 30.24 H new ATOM 0 HD11 ILE A 84 -3.600 -9.249 -8.441 1.00 1.43 H new ATOM 0 HD12 ILE A 84 -4.031 -8.877 -6.755 1.00 1.43 H new ATOM 0 HD13 ILE A 84 -2.459 -8.357 -7.407 1.00 1.43 H new ATOM 1332 N VAL A 85 0.467 -10.326 -3.774 1.00 52.30 N ATOM 1333 CA VAL A 85 1.101 -10.457 -2.468 1.00 20.22 C ATOM 1334 C VAL A 85 1.948 -9.232 -2.142 1.00 62.14 C ATOM 1335 O VAL A 85 1.825 -8.646 -1.067 1.00 2.45 O ATOM 1336 CB VAL A 85 1.988 -11.714 -2.399 1.00 22.45 C ATOM 1337 CG1 VAL A 85 2.665 -11.816 -1.040 1.00 63.13 C ATOM 1338 CG2 VAL A 85 1.167 -12.962 -2.689 1.00 44.21 C ATOM 0 H VAL A 85 0.714 -11.060 -4.438 1.00 52.30 H new ATOM 0 HA VAL A 85 0.299 -10.546 -1.735 1.00 20.22 H new ATOM 0 HB VAL A 85 2.764 -11.632 -3.160 1.00 22.45 H new ATOM 0 HG11 VAL A 85 3.288 -12.710 -1.010 1.00 63.13 H new ATOM 0 HG12 VAL A 85 3.286 -10.936 -0.876 1.00 63.13 H new ATOM 0 HG13 VAL A 85 1.907 -11.875 -0.259 1.00 63.13 H new ATOM 0 HG21 VAL A 85 1.810 -13.841 -2.636 1.00 44.21 H new ATOM 0 HG22 VAL A 85 0.368 -13.051 -1.952 1.00 44.21 H new ATOM 0 HG23 VAL A 85 0.734 -12.889 -3.687 1.00 44.21 H new ATOM 1348 N THR A 86 2.809 -8.849 -3.080 1.00 5.01 N ATOM 1349 CA THR A 86 3.678 -7.694 -2.893 1.00 43.25 C ATOM 1350 C THR A 86 2.872 -6.453 -2.526 1.00 63.22 C ATOM 1351 O THR A 86 3.280 -5.666 -1.671 1.00 40.00 O ATOM 1352 CB THR A 86 4.502 -7.400 -4.161 1.00 62.04 C ATOM 1353 OG1 THR A 86 3.627 -7.160 -5.269 1.00 64.04 O ATOM 1354 CG2 THR A 86 5.431 -8.561 -4.484 1.00 50.32 C ATOM 0 H THR A 86 2.923 -9.322 -3.977 1.00 5.01 H new ATOM 0 HA THR A 86 4.357 -7.938 -2.076 1.00 43.25 H new ATOM 0 HB THR A 86 5.107 -6.512 -3.977 1.00 62.04 H new ATOM 0 HG1 THR A 86 2.761 -7.586 -5.100 1.00 64.04 H new ATOM 0 HG21 THR A 86 6.002 -8.330 -5.383 1.00 50.32 H new ATOM 0 HG22 THR A 86 6.115 -8.722 -3.651 1.00 50.32 H new ATOM 0 HG23 THR A 86 4.842 -9.463 -4.650 1.00 50.32 H new ATOM 1362 N LEU A 87 1.726 -6.284 -3.176 1.00 63.24 N ATOM 1363 CA LEU A 87 0.861 -5.138 -2.917 1.00 64.33 C ATOM 1364 C LEU A 87 0.353 -5.154 -1.479 1.00 75.35 C ATOM 1365 O LEU A 87 0.329 -4.124 -0.806 1.00 40.20 O ATOM 1366 CB LEU A 87 -0.320 -5.136 -3.889 1.00 33.34 C ATOM 1367 CG LEU A 87 -0.020 -4.660 -5.310 1.00 41.12 C ATOM 1368 CD1 LEU A 87 -1.270 -4.735 -6.174 1.00 3.45 C ATOM 1369 CD2 LEU A 87 0.534 -3.243 -5.292 1.00 11.42 C ATOM 0 H LEU A 87 1.374 -6.926 -3.886 1.00 63.24 H new ATOM 0 HA LEU A 87 1.446 -4.230 -3.065 1.00 64.33 H new ATOM 0 HB2 LEU A 87 -0.721 -6.148 -3.944 1.00 33.34 H new ATOM 0 HB3 LEU A 87 -1.105 -4.504 -3.474 1.00 33.34 H new ATOM 0 HG LEU A 87 0.734 -5.318 -5.741 1.00 41.12 H new ATOM 0 HD11 LEU A 87 -1.037 -4.392 -7.182 1.00 3.45 H new ATOM 0 HD12 LEU A 87 -1.623 -5.765 -6.214 1.00 3.45 H new ATOM 0 HD13 LEU A 87 -2.047 -4.101 -5.746 1.00 3.45 H new ATOM 0 HD21 LEU A 87 0.742 -2.921 -6.312 1.00 11.42 H new ATOM 0 HD22 LEU A 87 -0.197 -2.572 -4.841 1.00 11.42 H new ATOM 0 HD23 LEU A 87 1.455 -3.220 -4.709 1.00 11.42 H new ATOM 1381 N LYS A 88 -0.053 -6.331 -1.014 1.00 4.12 N ATOM 1382 CA LYS A 88 -0.558 -6.484 0.345 1.00 1.53 C ATOM 1383 C LYS A 88 0.556 -6.277 1.366 1.00 2.05 C ATOM 1384 O LYS A 88 0.483 -5.380 2.207 1.00 64.22 O ATOM 1385 CB LYS A 88 -1.180 -7.870 0.527 1.00 15.33 C ATOM 1386 CG LYS A 88 -2.690 -7.885 0.363 1.00 14.43 C ATOM 1387 CD LYS A 88 -3.139 -8.997 -0.570 1.00 10.40 C ATOM 1388 CE LYS A 88 -4.578 -8.799 -1.021 1.00 33.44 C ATOM 1389 NZ LYS A 88 -5.179 -10.064 -1.527 1.00 33.32 N ATOM 0 H LYS A 88 -0.042 -7.193 -1.559 1.00 4.12 H new ATOM 0 HA LYS A 88 -1.323 -5.725 0.509 1.00 1.53 H new ATOM 0 HB2 LYS A 88 -0.738 -8.555 -0.196 1.00 15.33 H new ATOM 0 HB3 LYS A 88 -0.927 -8.245 1.519 1.00 15.33 H new ATOM 0 HG2 LYS A 88 -3.161 -8.014 1.337 1.00 14.43 H new ATOM 0 HG3 LYS A 88 -3.024 -6.924 -0.028 1.00 14.43 H new ATOM 0 HD2 LYS A 88 -2.485 -9.029 -1.441 1.00 10.40 H new ATOM 0 HD3 LYS A 88 -3.044 -9.958 -0.065 1.00 10.40 H new ATOM 0 HE2 LYS A 88 -5.171 -8.423 -0.188 1.00 33.44 H new ATOM 0 HE3 LYS A 88 -4.612 -8.042 -1.804 1.00 33.44 H new ATOM 0 HZ1 LYS A 88 -6.136 -9.874 -1.887 1.00 33.32 H new ATOM 0 HZ2 LYS A 88 -4.590 -10.446 -2.294 1.00 33.32 H new ATOM 0 HZ3 LYS A 88 -5.232 -10.757 -0.753 1.00 33.32 H new ATOM 1403 N VAL A 89 1.588 -7.112 1.287 1.00 14.23 N ATOM 1404 CA VAL A 89 2.718 -7.019 2.203 1.00 44.20 C ATOM 1405 C VAL A 89 3.271 -5.599 2.251 1.00 2.22 C ATOM 1406 O VAL A 89 3.798 -5.160 3.274 1.00 33.41 O ATOM 1407 CB VAL A 89 3.848 -7.984 1.799 1.00 24.43 C ATOM 1408 CG1 VAL A 89 3.325 -9.410 1.706 1.00 41.44 C ATOM 1409 CG2 VAL A 89 4.475 -7.550 0.483 1.00 72.22 C ATOM 0 H VAL A 89 1.664 -7.860 0.598 1.00 14.23 H new ATOM 0 HA VAL A 89 2.349 -7.296 3.190 1.00 44.20 H new ATOM 0 HB VAL A 89 4.619 -7.955 2.569 1.00 24.43 H new ATOM 0 HG11 VAL A 89 4.138 -10.078 1.419 1.00 41.44 H new ATOM 0 HG12 VAL A 89 2.928 -9.716 2.674 1.00 41.44 H new ATOM 0 HG13 VAL A 89 2.534 -9.459 0.958 1.00 41.44 H new ATOM 0 HG21 VAL A 89 5.271 -8.243 0.213 1.00 72.22 H new ATOM 0 HG22 VAL A 89 3.715 -7.548 -0.299 1.00 72.22 H new ATOM 0 HG23 VAL A 89 4.888 -6.547 0.590 1.00 72.22 H new ATOM 1419 N PHE A 90 3.148 -4.884 1.138 1.00 53.40 N ATOM 1420 CA PHE A 90 3.635 -3.512 1.052 1.00 25.04 C ATOM 1421 C PHE A 90 2.639 -2.540 1.677 1.00 33.34 C ATOM 1422 O PHE A 90 3.024 -1.601 2.373 1.00 60.02 O ATOM 1423 CB PHE A 90 3.892 -3.129 -0.407 1.00 34.43 C ATOM 1424 CG PHE A 90 4.168 -1.666 -0.603 1.00 72.22 C ATOM 1425 CD1 PHE A 90 5.035 -0.992 0.241 1.00 11.15 C ATOM 1426 CD2 PHE A 90 3.561 -0.965 -1.633 1.00 31.14 C ATOM 1427 CE1 PHE A 90 5.290 0.355 0.063 1.00 21.33 C ATOM 1428 CE2 PHE A 90 3.813 0.382 -1.816 1.00 34.40 C ATOM 1429 CZ PHE A 90 4.679 1.042 -0.967 1.00 62.03 C ATOM 0 H PHE A 90 2.715 -5.232 0.282 1.00 53.40 H new ATOM 0 HA PHE A 90 4.571 -3.451 1.606 1.00 25.04 H new ATOM 0 HB2 PHE A 90 4.739 -3.704 -0.781 1.00 34.43 H new ATOM 0 HB3 PHE A 90 3.026 -3.411 -1.006 1.00 34.43 H new ATOM 0 HD1 PHE A 90 5.517 -1.525 1.047 1.00 11.15 H new ATOM 0 HD2 PHE A 90 2.883 -1.477 -2.300 1.00 31.14 H new ATOM 0 HE1 PHE A 90 5.967 0.870 0.729 1.00 21.33 H new ATOM 0 HE2 PHE A 90 3.333 0.917 -2.622 1.00 34.40 H new ATOM 0 HZ PHE A 90 4.878 2.094 -1.108 1.00 62.03 H new ATOM 1439 N ALA A 91 1.355 -2.774 1.423 1.00 3.24 N ATOM 1440 CA ALA A 91 0.303 -1.921 1.961 1.00 33.15 C ATOM 1441 C ALA A 91 0.218 -2.044 3.479 1.00 23.40 C ATOM 1442 O ALA A 91 -0.003 -1.057 4.181 1.00 60.41 O ATOM 1443 CB ALA A 91 -1.035 -2.270 1.326 1.00 13.15 C ATOM 0 H ALA A 91 1.019 -3.547 0.848 1.00 3.24 H new ATOM 0 HA ALA A 91 0.549 -0.887 1.720 1.00 33.15 H new ATOM 0 HB1 ALA A 91 -1.812 -1.625 1.737 1.00 13.15 H new ATOM 0 HB2 ALA A 91 -0.975 -2.124 0.248 1.00 13.15 H new ATOM 0 HB3 ALA A 91 -1.278 -3.311 1.538 1.00 13.15 H new ATOM 1449 N VAL A 92 0.395 -3.263 3.980 1.00 44.10 N ATOM 1450 CA VAL A 92 0.340 -3.515 5.415 1.00 74.11 C ATOM 1451 C VAL A 92 1.637 -3.097 6.097 1.00 1.53 C ATOM 1452 O VAL A 92 1.642 -2.218 6.959 1.00 34.43 O ATOM 1453 CB VAL A 92 0.072 -5.002 5.713 1.00 20.34 C ATOM 1454 CG1 VAL A 92 0.013 -5.244 7.214 1.00 4.30 C ATOM 1455 CG2 VAL A 92 -1.215 -5.457 5.041 1.00 24.02 C ATOM 0 H VAL A 92 0.578 -4.091 3.413 1.00 44.10 H new ATOM 0 HA VAL A 92 -0.482 -2.919 5.810 1.00 74.11 H new ATOM 0 HB VAL A 92 0.895 -5.590 5.306 1.00 20.34 H new ATOM 0 HG11 VAL A 92 -0.177 -6.300 7.405 1.00 4.30 H new ATOM 0 HG12 VAL A 92 0.963 -4.959 7.666 1.00 4.30 H new ATOM 0 HG13 VAL A 92 -0.789 -4.647 7.648 1.00 4.30 H new ATOM 0 HG21 VAL A 92 -1.388 -6.510 5.262 1.00 24.02 H new ATOM 0 HG22 VAL A 92 -2.050 -4.865 5.416 1.00 24.02 H new ATOM 0 HG23 VAL A 92 -1.130 -5.322 3.963 1.00 24.02 H new ATOM 1465 N ALA A 93 2.737 -3.731 5.705 1.00 71.01 N ATOM 1466 CA ALA A 93 4.042 -3.423 6.277 1.00 52.12 C ATOM 1467 C ALA A 93 4.446 -1.983 5.978 1.00 31.11 C ATOM 1468 O ALA A 93 5.350 -1.438 6.610 1.00 53.10 O ATOM 1469 CB ALA A 93 5.092 -4.388 5.747 1.00 35.51 C ATOM 0 H ALA A 93 2.750 -4.461 4.993 1.00 71.01 H new ATOM 0 HA ALA A 93 3.973 -3.537 7.359 1.00 52.12 H new ATOM 0 HB1 ALA A 93 6.061 -4.146 6.183 1.00 35.51 H new ATOM 0 HB2 ALA A 93 4.818 -5.408 6.016 1.00 35.51 H new ATOM 0 HB3 ALA A 93 5.150 -4.302 4.662 1.00 35.51 H new ATOM 1475 N GLY A 94 3.770 -1.372 5.009 1.00 21.34 N ATOM 1476 CA GLY A 94 4.074 -0.001 4.644 1.00 64.35 C ATOM 1477 C GLY A 94 3.138 0.995 5.298 1.00 21.12 C ATOM 1478 O GLY A 94 3.535 1.728 6.205 1.00 50.43 O ATOM 0 H GLY A 94 3.018 -1.802 4.471 1.00 21.34 H new ATOM 0 HA2 GLY A 94 5.101 0.228 4.930 1.00 64.35 H new ATOM 0 HA3 GLY A 94 4.013 0.105 3.561 1.00 64.35 H new ATOM 1482 N LEU A 95 1.892 1.024 4.838 1.00 21.33 N ATOM 1483 CA LEU A 95 0.896 1.939 5.384 1.00 1.22 C ATOM 1484 C LEU A 95 0.688 1.692 6.875 1.00 71.42 C ATOM 1485 O LEU A 95 0.626 2.631 7.669 1.00 52.55 O ATOM 1486 CB LEU A 95 -0.431 1.783 4.639 1.00 0.34 C ATOM 1487 CG LEU A 95 -0.339 1.693 3.116 1.00 60.42 C ATOM 1488 CD1 LEU A 95 -1.727 1.597 2.502 1.00 51.00 C ATOM 1489 CD2 LEU A 95 0.413 2.891 2.555 1.00 70.33 C ATOM 0 H LEU A 95 1.547 0.424 4.088 1.00 21.33 H new ATOM 0 HA LEU A 95 1.263 2.957 5.252 1.00 1.22 H new ATOM 0 HB2 LEU A 95 -0.928 0.885 5.007 1.00 0.34 H new ATOM 0 HB3 LEU A 95 -1.070 2.628 4.895 1.00 0.34 H new ATOM 0 HG LEU A 95 0.213 0.790 2.858 1.00 60.42 H new ATOM 0 HD11 LEU A 95 -1.641 1.534 1.417 1.00 51.00 H new ATOM 0 HD12 LEU A 95 -2.231 0.707 2.879 1.00 51.00 H new ATOM 0 HD13 LEU A 95 -2.305 2.482 2.769 1.00 51.00 H new ATOM 0 HD21 LEU A 95 0.469 2.810 1.469 1.00 70.33 H new ATOM 0 HD22 LEU A 95 -0.111 3.808 2.824 1.00 70.33 H new ATOM 0 HD23 LEU A 95 1.421 2.914 2.969 1.00 70.33 H new ATOM 1501 N LEU A 96 0.583 0.421 7.249 1.00 12.31 N ATOM 1502 CA LEU A 96 0.384 0.049 8.646 1.00 50.15 C ATOM 1503 C LEU A 96 1.721 -0.116 9.361 1.00 61.44 C ATOM 1504 O LEU A 96 1.765 -0.398 10.557 1.00 24.32 O ATOM 1505 CB LEU A 96 -0.421 -1.248 8.738 1.00 30.34 C ATOM 1506 CG LEU A 96 -1.814 -1.131 9.358 1.00 52.14 C ATOM 1507 CD1 LEU A 96 -1.714 -0.843 10.847 1.00 4.25 C ATOM 1508 CD2 LEU A 96 -2.620 -0.047 8.656 1.00 20.31 C ATOM 0 H LEU A 96 0.632 -0.369 6.605 1.00 12.31 H new ATOM 0 HA LEU A 96 -0.171 0.849 9.135 1.00 50.15 H new ATOM 0 HB2 LEU A 96 -0.525 -1.659 7.734 1.00 30.34 H new ATOM 0 HB3 LEU A 96 0.154 -1.969 9.319 1.00 30.34 H new ATOM 0 HG LEU A 96 -2.330 -2.082 9.228 1.00 52.14 H new ATOM 0 HD11 LEU A 96 -2.715 -0.763 11.270 1.00 4.25 H new ATOM 0 HD12 LEU A 96 -1.176 -1.653 11.339 1.00 4.25 H new ATOM 0 HD13 LEU A 96 -1.179 0.094 11.001 1.00 4.25 H new ATOM 0 HD21 LEU A 96 -3.609 0.023 9.110 1.00 20.31 H new ATOM 0 HD22 LEU A 96 -2.107 0.910 8.755 1.00 20.31 H new ATOM 0 HD23 LEU A 96 -2.722 -0.296 7.600 1.00 20.31 H new ATOM 1520 N ASN A 97 2.809 0.063 8.619 1.00 42.03 N ATOM 1521 CA ASN A 97 4.148 -0.065 9.182 1.00 2.24 C ATOM 1522 C ASN A 97 4.301 -1.388 9.926 1.00 63.20 C ATOM 1523 O ASN A 97 5.061 -1.486 10.889 1.00 65.43 O ATOM 1524 CB ASN A 97 4.439 1.101 10.129 1.00 1.50 C ATOM 1525 CG ASN A 97 4.164 2.448 9.489 1.00 42.34 C ATOM 1526 OD1 ASN A 97 3.017 2.889 9.412 1.00 42.12 O ATOM 1527 ND2 ASN A 97 5.219 3.109 9.025 1.00 74.03 N ATOM 0 H ASN A 97 2.790 0.297 7.626 1.00 42.03 H new ATOM 0 HA ASN A 97 4.864 -0.045 8.360 1.00 2.24 H new ATOM 0 HB2 ASN A 97 3.830 0.997 11.027 1.00 1.50 H new ATOM 0 HB3 ASN A 97 5.481 1.058 10.445 1.00 1.50 H new ATOM 0 HD21 ASN A 97 5.096 4.020 8.584 1.00 74.03 H new ATOM 0 HD22 ASN A 97 6.152 2.705 9.110 1.00 74.03 H new ATOM 1534 N MET A 98 3.574 -2.404 9.472 1.00 41.55 N ATOM 1535 CA MET A 98 3.631 -3.722 10.093 1.00 54.24 C ATOM 1536 C MET A 98 5.018 -4.337 9.937 1.00 73.01 C ATOM 1537 O MET A 98 5.823 -3.882 9.124 1.00 0.41 O ATOM 1538 CB MET A 98 2.578 -4.645 9.476 1.00 62.21 C ATOM 1539 CG MET A 98 1.390 -4.907 10.388 1.00 43.15 C ATOM 1540 SD MET A 98 1.768 -6.085 11.699 1.00 34.12 S ATOM 1541 CE MET A 98 0.887 -5.352 13.076 1.00 22.21 C ATOM 0 H MET A 98 2.939 -2.340 8.677 1.00 41.55 H new ATOM 0 HA MET A 98 3.423 -3.605 11.157 1.00 54.24 H new ATOM 0 HB2 MET A 98 2.221 -4.204 8.545 1.00 62.21 H new ATOM 0 HB3 MET A 98 3.045 -5.596 9.220 1.00 62.21 H new ATOM 0 HG2 MET A 98 1.064 -3.967 10.833 1.00 43.15 H new ATOM 0 HG3 MET A 98 0.557 -5.285 9.794 1.00 43.15 H new ATOM 0 HE1 MET A 98 1.024 -5.968 13.965 1.00 22.21 H new ATOM 0 HE2 MET A 98 1.275 -4.351 13.264 1.00 22.21 H new ATOM 0 HE3 MET A 98 -0.175 -5.291 12.838 1.00 22.21 H new ATOM 1551 N THR A 99 5.292 -5.375 10.721 1.00 15.15 N ATOM 1552 CA THR A 99 6.581 -6.051 10.672 1.00 65.33 C ATOM 1553 C THR A 99 6.416 -7.527 10.326 1.00 53.42 C ATOM 1554 O THR A 99 6.984 -8.397 10.985 1.00 30.04 O ATOM 1555 CB THR A 99 7.331 -5.931 12.012 1.00 70.00 C ATOM 1556 OG1 THR A 99 6.547 -6.504 13.065 1.00 43.14 O ATOM 1557 CG2 THR A 99 7.635 -4.475 12.333 1.00 33.54 C ATOM 0 H THR A 99 4.637 -5.766 11.398 1.00 15.15 H new ATOM 0 HA THR A 99 7.164 -5.561 9.893 1.00 65.33 H new ATOM 0 HB THR A 99 8.273 -6.472 11.926 1.00 70.00 H new ATOM 0 HG1 THR A 99 7.031 -6.425 13.913 1.00 43.14 H new ATOM 0 HG21 THR A 99 8.165 -4.415 13.284 1.00 33.54 H new ATOM 0 HG22 THR A 99 8.256 -4.050 11.544 1.00 33.54 H new ATOM 0 HG23 THR A 99 6.702 -3.915 12.402 1.00 33.54 H new ATOM 1565 N VAL A 100 5.634 -7.802 9.287 1.00 52.14 N ATOM 1566 CA VAL A 100 5.395 -9.173 8.852 1.00 53.23 C ATOM 1567 C VAL A 100 6.578 -9.711 8.056 1.00 63.31 C ATOM 1568 O VAL A 100 7.136 -9.017 7.206 1.00 14.20 O ATOM 1569 CB VAL A 100 4.122 -9.274 7.990 1.00 20.51 C ATOM 1570 CG1 VAL A 100 2.884 -9.009 8.833 1.00 72.22 C ATOM 1571 CG2 VAL A 100 4.195 -8.309 6.817 1.00 62.24 C ATOM 0 H VAL A 100 5.155 -7.094 8.731 1.00 52.14 H new ATOM 0 HA VAL A 100 5.264 -9.773 9.753 1.00 53.23 H new ATOM 0 HB VAL A 100 4.052 -10.287 7.593 1.00 20.51 H new ATOM 0 HG11 VAL A 100 1.995 -9.085 8.207 1.00 72.22 H new ATOM 0 HG12 VAL A 100 2.826 -9.744 9.636 1.00 72.22 H new ATOM 0 HG13 VAL A 100 2.943 -8.008 9.261 1.00 72.22 H new ATOM 0 HG21 VAL A 100 3.288 -8.394 6.219 1.00 62.24 H new ATOM 0 HG22 VAL A 100 4.290 -7.289 7.190 1.00 62.24 H new ATOM 0 HG23 VAL A 100 5.060 -8.551 6.200 1.00 62.24 H new ATOM 1581 N SER A 101 6.957 -10.954 8.337 1.00 2.01 N ATOM 1582 CA SER A 101 8.077 -11.586 7.650 1.00 45.53 C ATOM 1583 C SER A 101 7.600 -12.753 6.791 1.00 32.05 C ATOM 1584 O SER A 101 8.395 -13.590 6.362 1.00 34.11 O ATOM 1585 CB SER A 101 9.115 -12.073 8.663 1.00 61.44 C ATOM 1586 OG SER A 101 10.008 -11.032 9.019 1.00 20.55 O ATOM 0 H SER A 101 6.505 -11.543 9.036 1.00 2.01 H new ATOM 0 HA SER A 101 8.537 -10.843 6.998 1.00 45.53 H new ATOM 0 HB2 SER A 101 8.611 -12.445 9.555 1.00 61.44 H new ATOM 0 HB3 SER A 101 9.675 -12.908 8.242 1.00 61.44 H new ATOM 0 HG SER A 101 10.660 -11.368 9.668 1.00 20.55 H new ATOM 1592 N THR A 102 6.294 -12.803 6.545 1.00 44.11 N ATOM 1593 CA THR A 102 5.709 -13.867 5.740 1.00 72.15 C ATOM 1594 C THR A 102 4.529 -13.353 4.923 1.00 52.20 C ATOM 1595 O THR A 102 3.619 -12.721 5.459 1.00 2.22 O ATOM 1596 CB THR A 102 5.238 -15.042 6.618 1.00 52.34 C ATOM 1597 OG1 THR A 102 4.050 -14.676 7.329 1.00 21.11 O ATOM 1598 CG2 THR A 102 6.322 -15.448 7.605 1.00 74.02 C ATOM 0 H THR A 102 5.622 -12.119 6.892 1.00 44.11 H new ATOM 0 HA THR A 102 6.490 -14.218 5.065 1.00 72.15 H new ATOM 0 HB THR A 102 5.025 -15.891 5.968 1.00 52.34 H new ATOM 0 HG1 THR A 102 3.756 -15.429 7.884 1.00 21.11 H new ATOM 0 HG21 THR A 102 5.967 -16.279 8.214 1.00 74.02 H new ATOM 0 HG22 THR A 102 7.215 -15.753 7.059 1.00 74.02 H new ATOM 0 HG23 THR A 102 6.562 -14.603 8.250 1.00 74.02 H new ATOM 1606 N ALA A 103 4.550 -13.628 3.623 1.00 32.50 N ATOM 1607 CA ALA A 103 3.480 -13.196 2.733 1.00 54.30 C ATOM 1608 C ALA A 103 2.115 -13.614 3.271 1.00 44.21 C ATOM 1609 O ALA A 103 1.111 -12.945 3.029 1.00 30.23 O ATOM 1610 CB ALA A 103 3.694 -13.760 1.336 1.00 20.24 C ATOM 0 H ALA A 103 5.297 -14.148 3.163 1.00 32.50 H new ATOM 0 HA ALA A 103 3.503 -12.108 2.681 1.00 54.30 H new ATOM 0 HB1 ALA A 103 2.887 -13.429 0.682 1.00 20.24 H new ATOM 0 HB2 ALA A 103 4.647 -13.407 0.943 1.00 20.24 H new ATOM 0 HB3 ALA A 103 3.701 -14.849 1.380 1.00 20.24 H new ATOM 1616 N ALA A 104 2.087 -14.724 4.001 1.00 62.34 N ATOM 1617 CA ALA A 104 0.846 -15.230 4.574 1.00 62.43 C ATOM 1618 C ALA A 104 0.332 -14.306 5.672 1.00 32.54 C ATOM 1619 O ALA A 104 -0.862 -14.015 5.743 1.00 44.33 O ATOM 1620 CB ALA A 104 1.051 -16.637 5.117 1.00 52.20 C ATOM 0 H ALA A 104 2.910 -15.290 4.210 1.00 62.34 H new ATOM 0 HA ALA A 104 0.096 -15.263 3.784 1.00 62.43 H new ATOM 0 HB1 ALA A 104 0.116 -17.003 5.542 1.00 52.20 H new ATOM 0 HB2 ALA A 104 1.365 -17.297 4.308 1.00 52.20 H new ATOM 0 HB3 ALA A 104 1.819 -16.620 5.890 1.00 52.20 H new ATOM 1626 N ALA A 105 1.240 -13.850 6.528 1.00 1.15 N ATOM 1627 CA ALA A 105 0.878 -12.958 7.623 1.00 72.00 C ATOM 1628 C ALA A 105 0.335 -11.634 7.096 1.00 63.04 C ATOM 1629 O ALA A 105 -0.631 -11.092 7.630 1.00 55.31 O ATOM 1630 CB ALA A 105 2.078 -12.717 8.526 1.00 1.53 C ATOM 0 H ALA A 105 2.232 -14.083 6.485 1.00 1.15 H new ATOM 0 HA ALA A 105 0.091 -13.438 8.204 1.00 72.00 H new ATOM 0 HB1 ALA A 105 1.793 -12.049 9.339 1.00 1.53 H new ATOM 0 HB2 ALA A 105 2.419 -13.666 8.939 1.00 1.53 H new ATOM 0 HB3 ALA A 105 2.883 -12.262 7.948 1.00 1.53 H new ATOM 1636 N ALA A 106 0.965 -11.119 6.045 1.00 54.44 N ATOM 1637 CA ALA A 106 0.544 -9.859 5.445 1.00 52.34 C ATOM 1638 C ALA A 106 -0.882 -9.954 4.912 1.00 42.45 C ATOM 1639 O ALA A 106 -1.734 -9.130 5.243 1.00 45.42 O ATOM 1640 CB ALA A 106 1.500 -9.459 4.331 1.00 63.01 C ATOM 0 H ALA A 106 1.768 -11.555 5.592 1.00 54.44 H new ATOM 0 HA ALA A 106 0.565 -9.092 6.219 1.00 52.34 H new ATOM 0 HB1 ALA A 106 1.173 -8.516 3.892 1.00 63.01 H new ATOM 0 HB2 ALA A 106 2.504 -9.341 4.738 1.00 63.01 H new ATOM 0 HB3 ALA A 106 1.508 -10.233 3.563 1.00 63.01 H new ATOM 1646 N GLU A 107 -1.133 -10.963 4.084 1.00 33.10 N ATOM 1647 CA GLU A 107 -2.456 -11.163 3.504 1.00 33.44 C ATOM 1648 C GLU A 107 -3.495 -11.417 4.593 1.00 2.45 C ATOM 1649 O GLU A 107 -4.605 -10.890 4.541 1.00 33.12 O ATOM 1650 CB GLU A 107 -2.435 -12.336 2.522 1.00 21.31 C ATOM 1651 CG GLU A 107 -3.814 -12.748 2.036 1.00 73.04 C ATOM 1652 CD GLU A 107 -3.767 -13.913 1.067 1.00 73.44 C ATOM 1653 OE1 GLU A 107 -2.839 -14.742 1.180 1.00 14.33 O ATOM 1654 OE2 GLU A 107 -4.657 -13.997 0.195 1.00 73.22 O ATOM 0 H GLU A 107 -0.439 -11.654 3.800 1.00 33.10 H new ATOM 0 HA GLU A 107 -2.730 -10.254 2.968 1.00 33.44 H new ATOM 0 HB2 GLU A 107 -1.821 -12.068 1.662 1.00 21.31 H new ATOM 0 HB3 GLU A 107 -1.957 -13.191 3.001 1.00 21.31 H new ATOM 0 HG2 GLU A 107 -4.431 -13.018 2.893 1.00 73.04 H new ATOM 0 HG3 GLU A 107 -4.294 -11.897 1.552 1.00 73.04 H new ATOM 1661 N ASN A 108 -3.124 -12.228 5.579 1.00 12.41 N ATOM 1662 CA ASN A 108 -4.023 -12.552 6.681 1.00 73.45 C ATOM 1663 C ASN A 108 -4.499 -11.286 7.386 1.00 52.02 C ATOM 1664 O ASN A 108 -5.666 -11.173 7.760 1.00 31.21 O ATOM 1665 CB ASN A 108 -3.325 -13.475 7.681 1.00 21.14 C ATOM 1666 CG ASN A 108 -3.702 -14.931 7.486 1.00 64.01 C ATOM 1667 OD1 ASN A 108 -4.700 -15.389 8.232 1.00 31.23 O flip ATOM 1668 ND2 ASN A 108 -3.102 -15.635 6.673 1.00 10.12 N flip ATOM 0 H ASN A 108 -2.208 -12.672 5.637 1.00 12.41 H new ATOM 0 HA ASN A 108 -4.892 -13.065 6.269 1.00 73.45 H new ATOM 0 HB2 ASN A 108 -2.245 -13.366 7.580 1.00 21.14 H new ATOM 0 HB3 ASN A 108 -3.583 -13.169 8.695 1.00 21.14 H new ATOM 0 HD21 ASN A 108 -2.341 -15.240 6.121 1.00 10.12 H new ATOM 0 HD22 ASN A 108 -3.366 -16.613 6.552 1.00 10.12 H new ATOM 1675 N MET A 109 -3.587 -10.336 7.563 1.00 52.41 N ATOM 1676 CA MET A 109 -3.914 -9.076 8.222 1.00 74.35 C ATOM 1677 C MET A 109 -4.846 -8.235 7.355 1.00 60.35 C ATOM 1678 O MET A 109 -5.816 -7.659 7.847 1.00 1.32 O ATOM 1679 CB MET A 109 -2.638 -8.291 8.530 1.00 53.10 C ATOM 1680 CG MET A 109 -2.424 -8.038 10.013 1.00 21.15 C ATOM 1681 SD MET A 109 -2.251 -6.286 10.402 1.00 51.24 S ATOM 1682 CE MET A 109 -3.785 -5.640 9.741 1.00 54.23 C ATOM 0 H MET A 109 -2.616 -10.414 7.260 1.00 52.41 H new ATOM 0 HA MET A 109 -4.425 -9.305 9.157 1.00 74.35 H new ATOM 0 HB2 MET A 109 -1.781 -8.837 8.135 1.00 53.10 H new ATOM 0 HB3 MET A 109 -2.674 -7.335 8.008 1.00 53.10 H new ATOM 0 HG2 MET A 109 -3.264 -8.449 10.572 1.00 21.15 H new ATOM 0 HG3 MET A 109 -1.531 -8.569 10.343 1.00 21.15 H new ATOM 0 HE1 MET A 109 -4.156 -4.848 10.391 1.00 54.23 H new ATOM 0 HE2 MET A 109 -3.611 -5.238 8.743 1.00 54.23 H new ATOM 0 HE3 MET A 109 -4.523 -6.440 9.686 1.00 54.23 H new ATOM 1692 N TYR A 110 -4.545 -8.170 6.062 1.00 12.54 N ATOM 1693 CA TYR A 110 -5.354 -7.397 5.128 1.00 54.43 C ATOM 1694 C TYR A 110 -6.794 -7.900 5.108 1.00 34.11 C ATOM 1695 O TYR A 110 -7.730 -7.130 4.892 1.00 72.35 O ATOM 1696 CB TYR A 110 -4.757 -7.471 3.721 1.00 13.44 C ATOM 1697 CG TYR A 110 -4.979 -6.219 2.903 1.00 43.31 C ATOM 1698 CD1 TYR A 110 -4.314 -5.038 3.209 1.00 44.02 C ATOM 1699 CD2 TYR A 110 -5.853 -6.217 1.823 1.00 63.25 C ATOM 1700 CE1 TYR A 110 -4.514 -3.892 2.464 1.00 3.11 C ATOM 1701 CE2 TYR A 110 -6.058 -5.076 1.071 1.00 22.13 C ATOM 1702 CZ TYR A 110 -5.386 -3.916 1.396 1.00 14.13 C ATOM 1703 OH TYR A 110 -5.587 -2.777 0.651 1.00 13.31 O ATOM 0 H TYR A 110 -3.747 -8.643 5.638 1.00 12.54 H new ATOM 0 HA TYR A 110 -5.355 -6.359 5.461 1.00 54.43 H new ATOM 0 HB2 TYR A 110 -3.686 -7.659 3.799 1.00 13.44 H new ATOM 0 HB3 TYR A 110 -5.192 -8.321 3.195 1.00 13.44 H new ATOM 0 HD1 TYR A 110 -3.629 -5.016 4.044 1.00 44.02 H new ATOM 0 HD2 TYR A 110 -6.382 -7.123 1.567 1.00 63.25 H new ATOM 0 HE1 TYR A 110 -3.990 -2.982 2.717 1.00 3.11 H new ATOM 0 HE2 TYR A 110 -6.740 -5.092 0.234 1.00 22.13 H new ATOM 0 HH TYR A 110 -4.849 -2.667 0.016 1.00 13.31 H new ATOM 1713 N SER A 111 -6.963 -9.199 5.337 1.00 55.53 N ATOM 1714 CA SER A 111 -8.288 -9.807 5.343 1.00 74.54 C ATOM 1715 C SER A 111 -8.938 -9.682 6.718 1.00 63.35 C ATOM 1716 O SER A 111 -10.079 -9.238 6.838 1.00 72.52 O ATOM 1717 CB SER A 111 -8.197 -11.281 4.941 1.00 15.02 C ATOM 1718 OG SER A 111 -9.486 -11.860 4.832 1.00 71.31 O ATOM 0 H SER A 111 -6.199 -9.850 5.521 1.00 55.53 H new ATOM 0 HA SER A 111 -8.907 -9.277 4.619 1.00 74.54 H new ATOM 0 HB2 SER A 111 -7.673 -11.370 3.989 1.00 15.02 H new ATOM 0 HB3 SER A 111 -7.611 -11.827 5.680 1.00 15.02 H new ATOM 0 HG SER A 111 -9.401 -12.801 4.573 1.00 71.31 H new ATOM 1724 N GLN A 112 -8.201 -10.077 7.751 1.00 71.20 N ATOM 1725 CA GLN A 112 -8.705 -10.010 9.118 1.00 60.14 C ATOM 1726 C GLN A 112 -9.146 -8.592 9.466 1.00 23.43 C ATOM 1727 O GLN A 112 -10.050 -8.395 10.277 1.00 32.11 O ATOM 1728 CB GLN A 112 -7.633 -10.480 10.102 1.00 32.54 C ATOM 1729 CG GLN A 112 -8.157 -10.701 11.512 1.00 11.13 C ATOM 1730 CD GLN A 112 -7.346 -9.963 12.559 1.00 44.55 C ATOM 1731 OE1 GLN A 112 -6.124 -9.853 12.450 1.00 50.54 O ATOM 1732 NE2 GLN A 112 -8.022 -9.451 13.580 1.00 20.25 N ATOM 0 H GLN A 112 -7.254 -10.446 7.668 1.00 71.20 H new ATOM 0 HA GLN A 112 -9.570 -10.669 9.193 1.00 60.14 H new ATOM 0 HB2 GLN A 112 -7.197 -11.409 9.735 1.00 32.54 H new ATOM 0 HB3 GLN A 112 -6.831 -9.742 10.133 1.00 32.54 H new ATOM 0 HG2 GLN A 112 -9.195 -10.374 11.565 1.00 11.13 H new ATOM 0 HG3 GLN A 112 -8.147 -11.768 11.736 1.00 11.13 H new ATOM 0 HE21 GLN A 112 -9.034 -9.566 13.630 1.00 20.25 H new ATOM 0 HE22 GLN A 112 -7.529 -8.943 14.314 1.00 20.25 H new ATOM 1741 N MET A 113 -8.500 -7.609 8.849 1.00 52.54 N ATOM 1742 CA MET A 113 -8.827 -6.209 9.094 1.00 42.52 C ATOM 1743 C MET A 113 -10.108 -5.814 8.367 1.00 54.04 C ATOM 1744 O MET A 113 -10.846 -4.939 8.819 1.00 43.04 O ATOM 1745 CB MET A 113 -7.674 -5.308 8.646 1.00 53.34 C ATOM 1746 CG MET A 113 -7.869 -3.845 9.011 1.00 62.10 C ATOM 1747 SD MET A 113 -6.494 -3.180 9.969 1.00 1.23 S ATOM 1748 CE MET A 113 -7.170 -1.602 10.481 1.00 31.22 C ATOM 0 H MET A 113 -7.748 -7.755 8.176 1.00 52.54 H new ATOM 0 HA MET A 113 -8.984 -6.081 10.165 1.00 42.52 H new ATOM 0 HB2 MET A 113 -6.748 -5.666 9.096 1.00 53.34 H new ATOM 0 HB3 MET A 113 -7.557 -5.392 7.566 1.00 53.34 H new ATOM 0 HG2 MET A 113 -7.988 -3.260 8.099 1.00 62.10 H new ATOM 0 HG3 MET A 113 -8.791 -3.737 9.582 1.00 62.10 H new ATOM 0 HE1 MET A 113 -6.435 -1.070 11.084 1.00 31.22 H new ATOM 0 HE2 MET A 113 -7.415 -1.008 9.600 1.00 31.22 H new ATOM 0 HE3 MET A 113 -8.072 -1.767 11.070 1.00 31.22 H new ATOM 1758 N GLY A 114 -10.367 -6.465 7.237 1.00 73.52 N ATOM 1759 CA GLY A 114 -11.560 -6.168 6.465 1.00 11.25 C ATOM 1760 C GLY A 114 -11.248 -5.440 5.173 1.00 11.10 C ATOM 1761 O GLY A 114 -12.081 -4.695 4.655 1.00 43.33 O ATOM 0 H GLY A 114 -9.772 -7.193 6.842 1.00 73.52 H new ATOM 0 HA2 GLY A 114 -12.083 -7.097 6.238 1.00 11.25 H new ATOM 0 HA3 GLY A 114 -12.236 -5.561 7.066 1.00 11.25 H new