USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 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 95:sc= 1.31 USER MOD Single : A 17 SER OG : rot 81:sc= 0.624 USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.377 K(o=-0.38,f=-1.7) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -60:sc= 1.29 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.558 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 173:sc= 0 (180deg=-0.13) USER MOD Single : A 86 THR OG1 : rot -96:sc= -1.13 USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= -0.0741 (180deg=-0.605) USER MOD Single : A 97 ASN : amide:sc= -0.0531 X(o=-0.053,f=0) 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 -140:sc= -0.0608 USER MOD Single : A 108 ASN : amide:sc= -0.275 K(o=-0.27,f=-1) USER MOD Single : A 109 MET CE :methyl -166:sc= -0.973 (180deg=-1.29) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 10.532 9.659 3.182 1.00 21.35 N ATOM 93 CA ARG A 7 10.874 8.940 4.404 1.00 14.22 C ATOM 94 C ARG A 7 9.904 7.787 4.646 1.00 50.02 C ATOM 95 O ARG A 7 10.319 6.648 4.859 1.00 23.14 O ATOM 96 CB ARG A 7 10.860 9.892 5.602 1.00 74.12 C ATOM 97 CG ARG A 7 12.237 10.154 6.188 1.00 44.04 C ATOM 98 CD ARG A 7 12.145 10.771 7.574 1.00 11.14 C ATOM 99 NE ARG A 7 13.383 11.445 7.957 1.00 13.12 N ATOM 100 CZ ARG A 7 14.450 10.810 8.428 1.00 20.02 C ATOM 101 NH1 ARG A 7 14.431 9.492 8.573 1.00 10.22 N ATOM 102 NH2 ARG A 7 15.540 11.493 8.755 1.00 53.13 N ATOM 0 HA ARG A 7 11.877 8.530 4.286 1.00 14.22 H new ATOM 0 HB2 ARG A 7 10.418 10.840 5.296 1.00 74.12 H new ATOM 0 HB3 ARG A 7 10.217 9.476 6.378 1.00 74.12 H new ATOM 0 HG2 ARG A 7 12.795 9.219 6.241 1.00 44.04 H new ATOM 0 HG3 ARG A 7 12.793 10.820 5.528 1.00 44.04 H new ATOM 0 HD2 ARG A 7 11.321 11.484 7.599 1.00 11.14 H new ATOM 0 HD3 ARG A 7 11.915 9.993 8.302 1.00 11.14 H new ATOM 0 HE ARG A 7 13.431 12.459 7.857 1.00 13.12 H new ATOM 0 HH11 ARG A 7 13.595 8.963 8.323 1.00 10.22 H new ATOM 0 HH12 ARG A 7 15.252 9.007 8.935 1.00 10.22 H new ATOM 0 HH21 ARG A 7 15.559 12.507 8.645 1.00 53.13 H new ATOM 0 HH22 ARG A 7 16.359 11.004 9.117 1.00 53.13 H new ATOM 116 N ASP A 8 8.611 8.091 4.611 1.00 23.01 N ATOM 117 CA ASP A 8 7.582 7.080 4.826 1.00 42.23 C ATOM 118 C ASP A 8 7.747 5.921 3.848 1.00 54.13 C ATOM 119 O ASP A 8 7.485 4.767 4.188 1.00 50.40 O ATOM 120 CB ASP A 8 6.191 7.698 4.675 1.00 62.05 C ATOM 121 CG ASP A 8 5.249 7.283 5.788 1.00 43.03 C ATOM 122 OD1 ASP A 8 4.643 6.197 5.677 1.00 11.23 O ATOM 123 OD2 ASP A 8 5.118 8.045 6.769 1.00 20.50 O ATOM 0 H ASP A 8 8.251 9.029 4.436 1.00 23.01 H new ATOM 0 HA ASP A 8 7.691 6.694 5.840 1.00 42.23 H new ATOM 0 HB2 ASP A 8 6.279 8.784 4.663 1.00 62.05 H new ATOM 0 HB3 ASP A 8 5.767 7.402 3.715 1.00 62.05 H new ATOM 128 N TRP A 9 8.180 6.236 2.633 1.00 41.34 N ATOM 129 CA TRP A 9 8.378 5.221 1.605 1.00 61.33 C ATOM 130 C TRP A 9 9.523 4.285 1.977 1.00 1.31 C ATOM 131 O TRP A 9 9.345 3.070 2.056 1.00 35.35 O ATOM 132 CB TRP A 9 8.661 5.881 0.254 1.00 21.23 C ATOM 133 CG TRP A 9 8.929 4.896 -0.844 1.00 2.44 C ATOM 134 CD1 TRP A 9 10.144 4.395 -1.217 1.00 13.35 C ATOM 135 CD2 TRP A 9 7.962 4.296 -1.711 1.00 74.04 C ATOM 136 NE1 TRP A 9 9.989 3.519 -2.264 1.00 3.40 N ATOM 137 CE2 TRP A 9 8.660 3.440 -2.586 1.00 2.44 C ATOM 138 CE3 TRP A 9 6.573 4.396 -1.834 1.00 2.03 C ATOM 139 CZ2 TRP A 9 8.016 2.693 -3.568 1.00 32.45 C ATOM 140 CZ3 TRP A 9 5.935 3.653 -2.809 1.00 2.41 C ATOM 141 CH2 TRP A 9 6.656 2.810 -3.665 1.00 10.01 C ATOM 0 H TRP A 9 8.401 7.186 2.335 1.00 41.34 H new ATOM 0 HA TRP A 9 7.463 4.633 1.530 1.00 61.33 H new ATOM 0 HB2 TRP A 9 7.809 6.502 -0.024 1.00 21.23 H new ATOM 0 HB3 TRP A 9 9.520 6.545 0.355 1.00 21.23 H new ATOM 0 HD1 TRP A 9 11.087 4.650 -0.757 1.00 13.35 H new ATOM 0 HE1 TRP A 9 10.742 3.010 -2.727 1.00 3.40 H new ATOM 0 HE3 TRP A 9 6.008 5.043 -1.179 1.00 2.03 H new ATOM 0 HZ2 TRP A 9 8.570 2.044 -4.230 1.00 32.45 H new ATOM 0 HZ3 TRP A 9 4.862 3.723 -2.913 1.00 2.41 H new ATOM 0 HH2 TRP A 9 6.128 2.241 -4.416 1.00 10.01 H new ATOM 152 N LYS A 10 10.700 4.859 2.205 1.00 33.10 N ATOM 153 CA LYS A 10 11.875 4.077 2.571 1.00 73.21 C ATOM 154 C LYS A 10 11.571 3.159 3.751 1.00 63.44 C ATOM 155 O LYS A 10 12.128 2.067 3.858 1.00 24.51 O ATOM 156 CB LYS A 10 13.042 5.004 2.919 1.00 35.32 C ATOM 157 CG LYS A 10 14.400 4.440 2.541 1.00 21.41 C ATOM 158 CD LYS A 10 15.254 5.473 1.826 1.00 54.43 C ATOM 159 CE LYS A 10 16.722 5.340 2.200 1.00 33.04 C ATOM 160 NZ LYS A 10 17.513 4.690 1.120 1.00 61.45 N ATOM 0 H LYS A 10 10.865 5.864 2.143 1.00 33.10 H new ATOM 0 HA LYS A 10 12.152 3.461 1.716 1.00 73.21 H new ATOM 0 HB2 LYS A 10 12.900 5.959 2.412 1.00 35.32 H new ATOM 0 HB3 LYS A 10 13.027 5.207 3.990 1.00 35.32 H new ATOM 0 HG2 LYS A 10 14.916 4.099 3.439 1.00 21.41 H new ATOM 0 HG3 LYS A 10 14.267 3.569 1.899 1.00 21.41 H new ATOM 0 HD2 LYS A 10 15.140 5.357 0.748 1.00 54.43 H new ATOM 0 HD3 LYS A 10 14.903 6.474 2.078 1.00 54.43 H new ATOM 0 HE2 LYS A 10 17.134 6.327 2.408 1.00 33.04 H new ATOM 0 HE3 LYS A 10 16.812 4.757 3.117 1.00 33.04 H new ATOM 0 HZ1 LYS A 10 18.508 4.618 1.414 1.00 61.45 H new ATOM 0 HZ2 LYS A 10 17.136 3.738 0.938 1.00 61.45 H new ATOM 0 HZ3 LYS A 10 17.449 5.259 0.252 1.00 61.45 H new ATOM 174 N MET A 11 10.684 3.608 4.632 1.00 42.51 N ATOM 175 CA MET A 11 10.305 2.825 5.802 1.00 3.12 C ATOM 176 C MET A 11 9.515 1.586 5.394 1.00 22.32 C ATOM 177 O MET A 11 9.855 0.467 5.779 1.00 11.31 O ATOM 178 CB MET A 11 9.478 3.677 6.767 1.00 50.03 C ATOM 179 CG MET A 11 9.299 3.043 8.137 1.00 52.33 C ATOM 180 SD MET A 11 9.035 4.264 9.437 1.00 33.34 S ATOM 181 CE MET A 11 10.723 4.734 9.808 1.00 32.12 C ATOM 0 H MET A 11 10.214 4.510 4.558 1.00 42.51 H new ATOM 0 HA MET A 11 11.218 2.503 6.304 1.00 3.12 H new ATOM 0 HB2 MET A 11 9.959 4.648 6.885 1.00 50.03 H new ATOM 0 HB3 MET A 11 8.497 3.859 6.329 1.00 50.03 H new ATOM 0 HG2 MET A 11 8.451 2.359 8.109 1.00 52.33 H new ATOM 0 HG3 MET A 11 10.181 2.448 8.376 1.00 52.33 H new ATOM 0 HE1 MET A 11 10.726 5.486 10.597 1.00 32.12 H new ATOM 0 HE2 MET A 11 11.280 3.858 10.140 1.00 32.12 H new ATOM 0 HE3 MET A 11 11.191 5.144 8.913 1.00 32.12 H new ATOM 191 N ALA A 12 8.460 1.793 4.613 1.00 31.44 N ATOM 192 CA ALA A 12 7.623 0.692 4.152 1.00 21.24 C ATOM 193 C ALA A 12 8.459 -0.383 3.465 1.00 1.25 C ATOM 194 O ALA A 12 8.158 -1.573 3.563 1.00 43.11 O ATOM 195 CB ALA A 12 6.545 1.207 3.211 1.00 70.15 C ATOM 0 H ALA A 12 8.165 2.713 4.286 1.00 31.44 H new ATOM 0 HA ALA A 12 7.145 0.242 5.022 1.00 21.24 H new ATOM 0 HB1 ALA A 12 5.928 0.374 2.875 1.00 70.15 H new ATOM 0 HB2 ALA A 12 5.922 1.933 3.734 1.00 70.15 H new ATOM 0 HB3 ALA A 12 7.012 1.684 2.349 1.00 70.15 H new ATOM 201 N ILE A 13 9.508 0.044 2.771 1.00 2.31 N ATOM 202 CA ILE A 13 10.387 -0.882 2.068 1.00 22.24 C ATOM 203 C ILE A 13 11.190 -1.729 3.050 1.00 64.13 C ATOM 204 O ILE A 13 11.237 -2.954 2.937 1.00 71.24 O ATOM 205 CB ILE A 13 11.360 -0.137 1.135 1.00 74.41 C ATOM 206 CG1 ILE A 13 10.583 0.690 0.109 1.00 72.14 C ATOM 207 CG2 ILE A 13 12.284 -1.124 0.438 1.00 45.34 C ATOM 208 CD1 ILE A 13 9.753 -0.148 -0.839 1.00 43.54 C ATOM 0 H ILE A 13 9.770 1.026 2.680 1.00 2.31 H new ATOM 0 HA ILE A 13 9.748 -1.531 1.469 1.00 22.24 H new ATOM 0 HB ILE A 13 11.969 0.540 1.734 1.00 74.41 H new ATOM 0 HG12 ILE A 13 9.928 1.385 0.635 1.00 72.14 H new ATOM 0 HG13 ILE A 13 11.286 1.290 -0.469 1.00 72.14 H new ATOM 0 HG21 ILE A 13 12.966 -0.583 -0.218 1.00 45.34 H new ATOM 0 HG22 ILE A 13 12.858 -1.674 1.184 1.00 45.34 H new ATOM 0 HG23 ILE A 13 11.691 -1.823 -0.152 1.00 45.34 H new ATOM 0 HD11 ILE A 13 9.230 0.504 -1.538 1.00 43.54 H new ATOM 0 HD12 ILE A 13 10.404 -0.825 -1.392 1.00 43.54 H new ATOM 0 HD13 ILE A 13 9.026 -0.728 -0.271 1.00 43.54 H new ATOM 220 N LYS A 14 11.821 -1.068 4.015 1.00 61.34 N ATOM 221 CA LYS A 14 12.621 -1.759 5.019 1.00 33.12 C ATOM 222 C LYS A 14 11.769 -2.750 5.806 1.00 74.02 C ATOM 223 O LYS A 14 12.279 -3.733 6.342 1.00 25.33 O ATOM 224 CB LYS A 14 13.260 -0.749 5.975 1.00 61.12 C ATOM 225 CG LYS A 14 14.427 -1.315 6.766 1.00 51.52 C ATOM 226 CD LYS A 14 14.695 -0.503 8.022 1.00 14.40 C ATOM 227 CE LYS A 14 15.810 0.508 7.805 1.00 2.22 C ATOM 228 NZ LYS A 14 16.169 1.217 9.065 1.00 41.03 N ATOM 0 H LYS A 14 11.794 -0.054 4.123 1.00 61.34 H new ATOM 0 HA LYS A 14 13.407 -2.311 4.504 1.00 33.12 H new ATOM 0 HB2 LYS A 14 13.603 0.113 5.403 1.00 61.12 H new ATOM 0 HB3 LYS A 14 12.501 -0.389 6.670 1.00 61.12 H new ATOM 0 HG2 LYS A 14 14.216 -2.349 7.038 1.00 51.52 H new ATOM 0 HG3 LYS A 14 15.320 -1.326 6.141 1.00 51.52 H new ATOM 0 HD2 LYS A 14 13.785 0.016 8.322 1.00 14.40 H new ATOM 0 HD3 LYS A 14 14.964 -1.173 8.839 1.00 14.40 H new ATOM 0 HE2 LYS A 14 16.690 -0.001 7.411 1.00 2.22 H new ATOM 0 HE3 LYS A 14 15.500 1.235 7.055 1.00 2.22 H new ATOM 0 HZ1 LYS A 14 16.932 1.897 8.875 1.00 41.03 H new ATOM 0 HZ2 LYS A 14 15.336 1.723 9.428 1.00 41.03 H new ATOM 0 HZ3 LYS A 14 16.489 0.526 9.773 1.00 41.03 H new ATOM 242 N ARG A 15 10.468 -2.485 5.869 1.00 72.32 N ATOM 243 CA ARG A 15 9.545 -3.354 6.589 1.00 23.35 C ATOM 244 C ARG A 15 9.282 -4.637 5.806 1.00 41.11 C ATOM 245 O ARG A 15 9.651 -5.729 6.241 1.00 41.51 O ATOM 246 CB ARG A 15 8.226 -2.626 6.854 1.00 43.10 C ATOM 247 CG ARG A 15 8.311 -1.600 7.973 1.00 74.25 C ATOM 248 CD ARG A 15 8.359 -2.268 9.338 1.00 50.20 C ATOM 249 NE ARG A 15 8.587 -1.304 10.411 1.00 41.52 N ATOM 250 CZ ARG A 15 8.785 -1.648 11.678 1.00 10.35 C ATOM 251 NH1 ARG A 15 8.783 -2.926 12.030 1.00 61.22 N ATOM 252 NH2 ARG A 15 8.986 -0.712 12.598 1.00 72.13 N ATOM 0 H ARG A 15 10.029 -1.675 5.430 1.00 72.32 H new ATOM 0 HA ARG A 15 10.004 -3.618 7.542 1.00 23.35 H new ATOM 0 HB2 ARG A 15 7.906 -2.128 5.939 1.00 43.10 H new ATOM 0 HB3 ARG A 15 7.459 -3.360 7.103 1.00 43.10 H new ATOM 0 HG2 ARG A 15 9.200 -0.984 7.837 1.00 74.25 H new ATOM 0 HG3 ARG A 15 7.450 -0.933 7.923 1.00 74.25 H new ATOM 0 HD2 ARG A 15 7.422 -2.795 9.517 1.00 50.20 H new ATOM 0 HD3 ARG A 15 9.152 -3.016 9.348 1.00 50.20 H new ATOM 0 HE ARG A 15 8.595 -0.312 10.174 1.00 41.52 H new ATOM 0 HH11 ARG A 15 8.629 -3.648 11.327 1.00 61.22 H new ATOM 0 HH12 ARG A 15 8.935 -3.187 13.004 1.00 61.22 H new ATOM 0 HH21 ARG A 15 8.988 0.273 12.332 1.00 72.13 H new ATOM 0 HH22 ARG A 15 9.138 -0.978 13.571 1.00 72.13 H new ATOM 266 N CYS A 16 8.642 -4.497 4.650 1.00 23.23 N ATOM 267 CA CYS A 16 8.328 -5.645 3.806 1.00 5.25 C ATOM 268 C CYS A 16 9.602 -6.359 3.364 1.00 54.31 C ATOM 269 O CYS A 16 9.581 -7.549 3.051 1.00 20.13 O ATOM 270 CB CYS A 16 7.527 -5.200 2.582 1.00 11.03 C ATOM 271 SG CYS A 16 8.353 -3.946 1.575 1.00 15.32 S ATOM 0 H CYS A 16 8.331 -3.601 4.276 1.00 23.23 H new ATOM 0 HA CYS A 16 7.727 -6.342 4.390 1.00 5.25 H new ATOM 0 HB2 CYS A 16 7.320 -6.071 1.960 1.00 11.03 H new ATOM 0 HB3 CYS A 16 6.565 -4.809 2.913 1.00 11.03 H new ATOM 0 HG CYS A 16 9.000 -4.524 0.607 1.00 15.32 H new ATOM 277 N SER A 17 10.708 -5.623 3.338 1.00 1.34 N ATOM 278 CA SER A 17 11.990 -6.184 2.929 1.00 41.14 C ATOM 279 C SER A 17 12.300 -7.457 3.710 1.00 63.24 C ATOM 280 O SER A 17 12.973 -8.357 3.209 1.00 43.02 O ATOM 281 CB SER A 17 13.108 -5.160 3.135 1.00 22.31 C ATOM 282 OG SER A 17 13.357 -4.430 1.946 1.00 24.42 O ATOM 0 H SER A 17 10.742 -4.637 3.595 1.00 1.34 H new ATOM 0 HA SER A 17 11.928 -6.435 1.870 1.00 41.14 H new ATOM 0 HB2 SER A 17 12.834 -4.474 3.936 1.00 22.31 H new ATOM 0 HB3 SER A 17 14.019 -5.670 3.450 1.00 22.31 H new ATOM 0 HG SER A 17 12.693 -3.715 1.856 1.00 24.42 H new ATOM 288 N ASN A 18 11.804 -7.525 4.941 1.00 52.54 N ATOM 289 CA ASN A 18 12.028 -8.687 5.793 1.00 53.14 C ATOM 290 C ASN A 18 10.866 -9.670 5.687 1.00 21.43 C ATOM 291 O ASN A 18 10.459 -10.275 6.679 1.00 34.12 O ATOM 292 CB ASN A 18 12.211 -8.251 7.248 1.00 42.13 C ATOM 293 CG ASN A 18 13.579 -7.647 7.502 1.00 13.22 C ATOM 294 OD1 ASN A 18 14.234 -7.157 6.582 1.00 22.23 O ATOM 295 ND2 ASN A 18 14.016 -7.679 8.756 1.00 74.12 N ATOM 0 H ASN A 18 11.244 -6.789 5.371 1.00 52.54 H new ATOM 0 HA ASN A 18 12.936 -9.186 5.454 1.00 53.14 H new ATOM 0 HB2 ASN A 18 11.442 -7.523 7.506 1.00 42.13 H new ATOM 0 HB3 ASN A 18 12.069 -9.111 7.903 1.00 42.13 H new ATOM 0 HD21 ASN A 18 14.929 -7.287 8.988 1.00 74.12 H new ATOM 0 HD22 ASN A 18 13.439 -8.095 9.487 1.00 74.12 H new ATOM 302 N VAL A 19 10.337 -9.826 4.478 1.00 43.13 N ATOM 303 CA VAL A 19 9.224 -10.737 4.241 1.00 32.05 C ATOM 304 C VAL A 19 9.595 -11.805 3.219 1.00 24.43 C ATOM 305 O VAL A 19 10.305 -11.533 2.252 1.00 51.15 O ATOM 306 CB VAL A 19 7.976 -9.982 3.748 1.00 54.23 C ATOM 307 CG1 VAL A 19 6.835 -10.952 3.480 1.00 63.23 C ATOM 308 CG2 VAL A 19 7.559 -8.923 4.758 1.00 25.40 C ATOM 0 H VAL A 19 10.662 -9.333 3.646 1.00 43.13 H new ATOM 0 HA VAL A 19 8.998 -11.214 5.195 1.00 32.05 H new ATOM 0 HB VAL A 19 8.223 -9.481 2.812 1.00 54.23 H new ATOM 0 HG11 VAL A 19 5.962 -10.400 3.132 1.00 63.23 H new ATOM 0 HG12 VAL A 19 7.138 -11.669 2.717 1.00 63.23 H new ATOM 0 HG13 VAL A 19 6.586 -11.484 4.398 1.00 63.23 H new ATOM 0 HG21 VAL A 19 6.675 -8.400 4.393 1.00 25.40 H new ATOM 0 HG22 VAL A 19 7.330 -9.399 5.711 1.00 25.40 H new ATOM 0 HG23 VAL A 19 8.372 -8.210 4.895 1.00 25.40 H new ATOM 318 N ALA A 20 9.110 -13.023 3.441 1.00 4.31 N ATOM 319 CA ALA A 20 9.389 -14.132 2.538 1.00 62.31 C ATOM 320 C ALA A 20 8.413 -14.145 1.366 1.00 22.13 C ATOM 321 O ALA A 20 7.413 -13.428 1.371 1.00 52.32 O ATOM 322 CB ALA A 20 9.330 -15.453 3.291 1.00 65.22 C ATOM 0 H ALA A 20 8.522 -13.266 4.238 1.00 4.31 H new ATOM 0 HA ALA A 20 10.394 -13.999 2.138 1.00 62.31 H new ATOM 0 HB1 ALA A 20 9.540 -16.273 2.604 1.00 65.22 H new ATOM 0 HB2 ALA A 20 10.071 -15.450 4.090 1.00 65.22 H new ATOM 0 HB3 ALA A 20 8.336 -15.584 3.719 1.00 65.22 H new ATOM 328 N VAL A 21 8.711 -14.965 0.363 1.00 11.20 N ATOM 329 CA VAL A 21 7.859 -15.071 -0.816 1.00 22.24 C ATOM 330 C VAL A 21 6.960 -16.299 -0.735 1.00 34.34 C ATOM 331 O VAL A 21 5.768 -16.230 -1.033 1.00 42.12 O ATOM 332 CB VAL A 21 8.695 -15.145 -2.107 1.00 41.02 C ATOM 333 CG1 VAL A 21 7.790 -15.149 -3.330 1.00 20.23 C ATOM 334 CG2 VAL A 21 9.683 -13.990 -2.169 1.00 12.32 C ATOM 0 H VAL A 21 9.535 -15.565 0.343 1.00 11.20 H new ATOM 0 HA VAL A 21 7.242 -14.173 -0.843 1.00 22.24 H new ATOM 0 HB VAL A 21 9.260 -16.077 -2.100 1.00 41.02 H new ATOM 0 HG11 VAL A 21 8.399 -15.202 -4.233 1.00 20.23 H new ATOM 0 HG12 VAL A 21 7.126 -16.013 -3.289 1.00 20.23 H new ATOM 0 HG13 VAL A 21 7.196 -14.235 -3.346 1.00 20.23 H new ATOM 0 HG21 VAL A 21 10.265 -14.058 -3.088 1.00 12.32 H new ATOM 0 HG22 VAL A 21 9.140 -13.045 -2.153 1.00 12.32 H new ATOM 0 HG23 VAL A 21 10.353 -14.038 -1.311 1.00 12.32 H new ATOM 344 N GLY A 22 7.539 -17.425 -0.328 1.00 11.15 N ATOM 345 CA GLY A 22 6.775 -18.653 -0.214 1.00 32.41 C ATOM 346 C GLY A 22 6.244 -18.878 1.188 1.00 72.30 C ATOM 347 O GLY A 22 6.428 -18.041 2.071 1.00 10.23 O ATOM 0 H GLY A 22 8.524 -17.508 -0.075 1.00 11.15 H new ATOM 0 HA2 GLY A 22 5.941 -18.624 -0.915 1.00 32.41 H new ATOM 0 HA3 GLY A 22 7.403 -19.496 -0.501 1.00 32.41 H new ATOM 351 N VAL A 23 5.581 -20.012 1.393 1.00 31.13 N ATOM 352 CA VAL A 23 5.021 -20.345 2.698 1.00 54.34 C ATOM 353 C VAL A 23 5.445 -21.741 3.138 1.00 2.02 C ATOM 354 O VAL A 23 4.729 -22.415 3.877 1.00 11.23 O ATOM 355 CB VAL A 23 3.482 -20.268 2.684 1.00 63.33 C ATOM 356 CG1 VAL A 23 3.020 -18.866 2.316 1.00 65.54 C ATOM 357 CG2 VAL A 23 2.907 -21.298 1.723 1.00 51.43 C ATOM 0 H VAL A 23 5.419 -20.715 0.672 1.00 31.13 H new ATOM 0 HA VAL A 23 5.408 -19.611 3.405 1.00 54.34 H new ATOM 0 HB VAL A 23 3.115 -20.493 3.685 1.00 63.33 H new ATOM 0 HG11 VAL A 23 1.931 -18.831 2.311 1.00 65.54 H new ATOM 0 HG12 VAL A 23 3.403 -18.153 3.047 1.00 65.54 H new ATOM 0 HG13 VAL A 23 3.395 -18.607 1.326 1.00 65.54 H new ATOM 0 HG21 VAL A 23 1.819 -21.230 1.725 1.00 51.43 H new ATOM 0 HG22 VAL A 23 3.281 -21.106 0.717 1.00 51.43 H new ATOM 0 HG23 VAL A 23 3.209 -22.297 2.037 1.00 51.43 H new ATOM 436 N LYS A 29 13.082 -14.416 -0.283 1.00 75.33 N ATOM 437 CA LYS A 29 12.325 -13.258 0.177 1.00 40.11 C ATOM 438 C LYS A 29 12.221 -12.204 -0.921 1.00 64.32 C ATOM 439 O LYS A 29 12.850 -12.326 -1.973 1.00 11.30 O ATOM 440 CB LYS A 29 12.984 -12.653 1.418 1.00 4.33 C ATOM 441 CG LYS A 29 14.480 -12.436 1.268 1.00 42.11 C ATOM 442 CD LYS A 29 15.272 -13.608 1.823 1.00 1.23 C ATOM 443 CE LYS A 29 15.425 -13.512 3.334 1.00 52.35 C ATOM 444 NZ LYS A 29 16.774 -13.016 3.724 1.00 14.02 N ATOM 0 HA LYS A 29 11.319 -13.591 0.433 1.00 40.11 H new ATOM 0 HB2 LYS A 29 12.508 -11.699 1.643 1.00 4.33 H new ATOM 0 HB3 LYS A 29 12.804 -13.308 2.270 1.00 4.33 H new ATOM 0 HG2 LYS A 29 14.725 -12.297 0.215 1.00 42.11 H new ATOM 0 HG3 LYS A 29 14.770 -11.522 1.786 1.00 42.11 H new ATOM 0 HD2 LYS A 29 14.771 -14.541 1.566 1.00 1.23 H new ATOM 0 HD3 LYS A 29 16.257 -13.636 1.357 1.00 1.23 H new ATOM 0 HE2 LYS A 29 14.663 -12.844 3.735 1.00 52.35 H new ATOM 0 HE3 LYS A 29 15.256 -14.492 3.779 1.00 52.35 H new ATOM 0 HZ1 LYS A 29 16.839 -12.965 4.761 1.00 14.02 H new ATOM 0 HZ2 LYS A 29 17.501 -13.667 3.364 1.00 14.02 H new ATOM 0 HZ3 LYS A 29 16.926 -12.070 3.320 1.00 14.02 H new ATOM 458 N PHE A 30 11.426 -11.170 -0.670 1.00 33.24 N ATOM 459 CA PHE A 30 11.241 -10.095 -1.637 1.00 54.21 C ATOM 460 C PHE A 30 12.129 -8.901 -1.300 1.00 10.12 C ATOM 461 O PHE A 30 12.511 -8.704 -0.147 1.00 42.53 O ATOM 462 CB PHE A 30 9.774 -9.660 -1.673 1.00 42.43 C ATOM 463 CG PHE A 30 8.916 -10.516 -2.560 1.00 23.53 C ATOM 464 CD1 PHE A 30 9.238 -10.694 -3.896 1.00 0.13 C ATOM 465 CD2 PHE A 30 7.788 -11.145 -2.057 1.00 5.00 C ATOM 466 CE1 PHE A 30 8.450 -11.481 -4.714 1.00 32.14 C ATOM 467 CE2 PHE A 30 6.997 -11.934 -2.870 1.00 54.11 C ATOM 468 CZ PHE A 30 7.328 -12.103 -4.200 1.00 5.10 C ATOM 0 H PHE A 30 10.899 -11.054 0.196 1.00 33.24 H new ATOM 0 HA PHE A 30 11.526 -10.471 -2.620 1.00 54.21 H new ATOM 0 HB2 PHE A 30 9.372 -9.683 -0.660 1.00 42.43 H new ATOM 0 HB3 PHE A 30 9.718 -8.626 -2.015 1.00 42.43 H new ATOM 0 HD1 PHE A 30 10.115 -10.212 -4.303 1.00 0.13 H new ATOM 0 HD2 PHE A 30 7.524 -11.017 -1.018 1.00 5.00 H new ATOM 0 HE1 PHE A 30 8.711 -11.610 -5.754 1.00 32.14 H new ATOM 0 HE2 PHE A 30 6.120 -12.418 -2.466 1.00 54.11 H new ATOM 0 HZ PHE A 30 6.711 -12.720 -4.837 1.00 5.10 H new ATOM 478 N GLY A 31 12.454 -8.107 -2.316 1.00 24.12 N ATOM 479 CA GLY A 31 13.296 -6.943 -2.108 1.00 33.13 C ATOM 480 C GLY A 31 12.696 -5.682 -2.696 1.00 51.43 C ATOM 481 O GLY A 31 11.722 -5.742 -3.446 1.00 13.44 O ATOM 0 H GLY A 31 12.149 -8.249 -3.279 1.00 24.12 H new ATOM 0 HA2 GLY A 31 13.457 -6.801 -1.039 1.00 33.13 H new ATOM 0 HA3 GLY A 31 14.273 -7.120 -2.557 1.00 33.13 H new ATOM 485 N GLU A 32 13.278 -4.536 -2.355 1.00 62.22 N ATOM 486 CA GLU A 32 12.792 -3.255 -2.854 1.00 5.12 C ATOM 487 C GLU A 32 12.667 -3.275 -4.375 1.00 22.04 C ATOM 488 O GLU A 32 11.820 -2.591 -4.948 1.00 21.43 O ATOM 489 CB GLU A 32 13.731 -2.126 -2.423 1.00 42.13 C ATOM 490 CG GLU A 32 15.102 -2.193 -3.075 1.00 4.33 C ATOM 491 CD GLU A 32 15.196 -1.341 -4.326 1.00 21.03 C ATOM 492 OE1 GLU A 32 15.197 -0.099 -4.200 1.00 12.22 O ATOM 493 OE2 GLU A 32 15.269 -1.918 -5.431 1.00 41.21 O ATOM 0 H GLU A 32 14.086 -4.469 -1.736 1.00 62.22 H new ATOM 0 HA GLU A 32 11.804 -3.079 -2.428 1.00 5.12 H new ATOM 0 HB2 GLU A 32 13.269 -1.169 -2.665 1.00 42.13 H new ATOM 0 HB3 GLU A 32 13.851 -2.158 -1.340 1.00 42.13 H new ATOM 0 HG2 GLU A 32 15.857 -1.866 -2.360 1.00 4.33 H new ATOM 0 HG3 GLU A 32 15.330 -3.229 -3.327 1.00 4.33 H new ATOM 500 N GLY A 33 13.519 -4.065 -5.022 1.00 53.44 N ATOM 501 CA GLY A 33 13.488 -4.159 -6.470 1.00 70.12 C ATOM 502 C GLY A 33 12.161 -4.675 -6.990 1.00 15.35 C ATOM 503 O GLY A 33 11.575 -4.092 -7.901 1.00 34.20 O ATOM 0 H GLY A 33 14.229 -4.641 -4.570 1.00 53.44 H new ATOM 0 HA2 GLY A 33 13.685 -3.177 -6.899 1.00 70.12 H new ATOM 0 HA3 GLY A 33 14.288 -4.820 -6.805 1.00 70.12 H new ATOM 507 N ASN A 34 11.686 -5.772 -6.409 1.00 13.00 N ATOM 508 CA ASN A 34 10.420 -6.368 -6.821 1.00 14.45 C ATOM 509 C ASN A 34 9.240 -5.580 -6.259 1.00 31.24 C ATOM 510 O ASN A 34 8.208 -5.434 -6.915 1.00 23.04 O ATOM 511 CB ASN A 34 10.343 -7.824 -6.357 1.00 14.31 C ATOM 512 CG ASN A 34 10.874 -8.791 -7.397 1.00 51.43 C ATOM 513 OD1 ASN A 34 11.943 -8.578 -7.970 1.00 53.11 O ATOM 514 ND2 ASN A 34 10.128 -9.860 -7.646 1.00 75.35 N ATOM 0 H ASN A 34 12.158 -6.266 -5.652 1.00 13.00 H new ATOM 0 HA ASN A 34 10.369 -6.338 -7.909 1.00 14.45 H new ATOM 0 HB2 ASN A 34 10.912 -7.939 -5.434 1.00 14.31 H new ATOM 0 HB3 ASN A 34 9.308 -8.075 -6.127 1.00 14.31 H new ATOM 0 HD21 ASN A 34 10.434 -10.546 -8.336 1.00 75.35 H new ATOM 0 HD22 ASN A 34 9.249 -9.996 -7.147 1.00 75.35 H new ATOM 521 N PHE A 35 9.400 -5.074 -5.040 1.00 72.23 N ATOM 522 CA PHE A 35 8.348 -4.302 -4.389 1.00 42.42 C ATOM 523 C PHE A 35 7.985 -3.072 -5.216 1.00 44.24 C ATOM 524 O PHE A 35 6.810 -2.795 -5.454 1.00 74.32 O ATOM 525 CB PHE A 35 8.792 -3.875 -2.988 1.00 62.34 C ATOM 526 CG PHE A 35 8.767 -4.993 -1.985 1.00 53.14 C ATOM 527 CD1 PHE A 35 7.616 -5.739 -1.788 1.00 53.44 C ATOM 528 CD2 PHE A 35 9.894 -5.297 -1.239 1.00 73.51 C ATOM 529 CE1 PHE A 35 7.589 -6.768 -0.866 1.00 71.14 C ATOM 530 CE2 PHE A 35 9.873 -6.326 -0.316 1.00 40.01 C ATOM 531 CZ PHE A 35 8.719 -7.061 -0.129 1.00 31.34 C ATOM 0 H PHE A 35 10.248 -5.185 -4.484 1.00 72.23 H new ATOM 0 HA PHE A 35 7.465 -4.936 -4.306 1.00 42.42 H new ATOM 0 HB2 PHE A 35 9.802 -3.470 -3.043 1.00 62.34 H new ATOM 0 HB3 PHE A 35 8.144 -3.070 -2.640 1.00 62.34 H new ATOM 0 HD1 PHE A 35 6.729 -5.514 -2.362 1.00 53.44 H new ATOM 0 HD2 PHE A 35 10.799 -4.724 -1.380 1.00 73.51 H new ATOM 0 HE1 PHE A 35 6.686 -7.342 -0.722 1.00 71.14 H new ATOM 0 HE2 PHE A 35 10.758 -6.555 0.258 1.00 40.01 H new ATOM 0 HZ PHE A 35 8.700 -7.864 0.593 1.00 31.34 H new ATOM 541 N ARG A 36 9.004 -2.337 -5.651 1.00 70.13 N ATOM 542 CA ARG A 36 8.793 -1.136 -6.450 1.00 44.21 C ATOM 543 C ARG A 36 8.332 -1.494 -7.860 1.00 24.32 C ATOM 544 O ARG A 36 7.419 -0.872 -8.402 1.00 1.33 O ATOM 545 CB ARG A 36 10.079 -0.310 -6.517 1.00 65.20 C ATOM 546 CG ARG A 36 10.643 0.051 -5.152 1.00 64.44 C ATOM 547 CD ARG A 36 12.133 0.346 -5.226 1.00 3.03 C ATOM 548 NE ARG A 36 12.443 1.707 -4.795 1.00 62.33 N ATOM 549 CZ ARG A 36 12.286 2.776 -5.568 1.00 35.22 C ATOM 550 NH1 ARG A 36 11.824 2.643 -6.803 1.00 74.44 N ATOM 551 NH2 ARG A 36 12.590 3.981 -5.104 1.00 53.44 N ATOM 0 H ARG A 36 9.983 -2.552 -5.463 1.00 70.13 H new ATOM 0 HA ARG A 36 8.013 -0.544 -5.971 1.00 44.21 H new ATOM 0 HB2 ARG A 36 10.831 -0.868 -7.075 1.00 65.20 H new ATOM 0 HB3 ARG A 36 9.884 0.606 -7.074 1.00 65.20 H new ATOM 0 HG2 ARG A 36 10.118 0.921 -4.758 1.00 64.44 H new ATOM 0 HG3 ARG A 36 10.467 -0.769 -4.456 1.00 64.44 H new ATOM 0 HD2 ARG A 36 12.675 -0.364 -4.602 1.00 3.03 H new ATOM 0 HD3 ARG A 36 12.481 0.201 -6.249 1.00 3.03 H new ATOM 0 HE ARG A 36 12.799 1.844 -3.849 1.00 62.33 H new ATOM 0 HH11 ARG A 36 11.588 1.718 -7.162 1.00 74.44 H new ATOM 0 HH12 ARG A 36 11.704 3.466 -7.394 1.00 74.44 H new ATOM 0 HH21 ARG A 36 12.944 4.087 -4.153 1.00 53.44 H new ATOM 0 HH22 ARG A 36 12.469 4.802 -5.698 1.00 53.44 H new ATOM 565 N TRP A 37 8.970 -2.500 -8.447 1.00 64.11 N ATOM 566 CA TRP A 37 8.626 -2.941 -9.794 1.00 50.22 C ATOM 567 C TRP A 37 7.159 -3.349 -9.875 1.00 62.10 C ATOM 568 O TRP A 37 6.531 -3.236 -10.927 1.00 62.13 O ATOM 569 CB TRP A 37 9.518 -4.111 -10.214 1.00 13.42 C ATOM 570 CG TRP A 37 9.104 -4.738 -11.511 1.00 13.44 C ATOM 571 CD1 TRP A 37 9.630 -4.489 -12.746 1.00 52.21 C ATOM 572 CD2 TRP A 37 8.076 -5.716 -11.700 1.00 14.02 C ATOM 573 NE1 TRP A 37 8.991 -5.254 -13.692 1.00 14.50 N ATOM 574 CE2 TRP A 37 8.034 -6.016 -13.076 1.00 12.44 C ATOM 575 CE3 TRP A 37 7.188 -6.370 -10.841 1.00 10.41 C ATOM 576 CZ2 TRP A 37 7.138 -6.939 -13.609 1.00 44.31 C ATOM 577 CZ3 TRP A 37 6.300 -7.285 -11.372 1.00 73.21 C ATOM 578 CH2 TRP A 37 6.281 -7.564 -12.745 1.00 54.42 C ATOM 0 H TRP A 37 9.728 -3.026 -8.012 1.00 64.11 H new ATOM 0 HA TRP A 37 8.790 -2.106 -10.476 1.00 50.22 H new ATOM 0 HB2 TRP A 37 10.547 -3.762 -10.300 1.00 13.42 H new ATOM 0 HB3 TRP A 37 9.503 -4.869 -9.431 1.00 13.42 H new ATOM 0 HD1 TRP A 37 10.431 -3.793 -12.950 1.00 52.21 H new ATOM 0 HE1 TRP A 37 9.196 -5.254 -14.691 1.00 14.50 H new ATOM 0 HE3 TRP A 37 7.196 -6.163 -9.781 1.00 10.41 H new ATOM 0 HZ2 TRP A 37 7.120 -7.154 -14.667 1.00 44.31 H new ATOM 0 HZ3 TRP A 37 5.608 -7.794 -10.717 1.00 73.21 H new ATOM 0 HH2 TRP A 37 5.576 -8.287 -13.129 1.00 54.42 H new ATOM 589 N ALA A 38 6.619 -3.824 -8.757 1.00 50.43 N ATOM 590 CA ALA A 38 5.225 -4.246 -8.702 1.00 61.42 C ATOM 591 C ALA A 38 4.292 -3.046 -8.585 1.00 33.21 C ATOM 592 O ALA A 38 3.458 -2.809 -9.460 1.00 1.25 O ATOM 593 CB ALA A 38 5.009 -5.201 -7.538 1.00 31.43 C ATOM 0 H ALA A 38 7.126 -3.926 -7.878 1.00 50.43 H new ATOM 0 HA ALA A 38 4.991 -4.765 -9.632 1.00 61.42 H new ATOM 0 HB1 ALA A 38 3.964 -5.508 -7.509 1.00 31.43 H new ATOM 0 HB2 ALA A 38 5.642 -6.079 -7.666 1.00 31.43 H new ATOM 0 HB3 ALA A 38 5.266 -4.701 -6.604 1.00 31.43 H new ATOM 599 N ILE A 39 4.437 -2.294 -7.499 1.00 53.24 N ATOM 600 CA ILE A 39 3.606 -1.118 -7.269 1.00 23.20 C ATOM 601 C ILE A 39 3.691 -0.147 -8.442 1.00 34.23 C ATOM 602 O ILE A 39 2.698 0.477 -8.817 1.00 32.14 O ATOM 603 CB ILE A 39 4.016 -0.384 -5.979 1.00 12.14 C ATOM 604 CG1 ILE A 39 3.142 0.855 -5.771 1.00 73.35 C ATOM 605 CG2 ILE A 39 5.486 0.002 -6.033 1.00 25.13 C ATOM 606 CD1 ILE A 39 1.670 0.538 -5.620 1.00 65.41 C ATOM 0 H ILE A 39 5.121 -2.478 -6.765 1.00 53.24 H new ATOM 0 HA ILE A 39 2.580 -1.471 -7.167 1.00 23.20 H new ATOM 0 HB ILE A 39 3.868 -1.056 -5.134 1.00 12.14 H new ATOM 0 HG12 ILE A 39 3.484 1.386 -4.883 1.00 73.35 H new ATOM 0 HG13 ILE A 39 3.275 1.530 -6.617 1.00 73.35 H new ATOM 0 HG21 ILE A 39 5.760 0.520 -5.114 1.00 25.13 H new ATOM 0 HG22 ILE A 39 6.094 -0.896 -6.139 1.00 25.13 H new ATOM 0 HG23 ILE A 39 5.658 0.659 -6.885 1.00 25.13 H new ATOM 0 HD11 ILE A 39 1.112 1.463 -5.476 1.00 65.41 H new ATOM 0 HD12 ILE A 39 1.312 0.034 -6.518 1.00 65.41 H new ATOM 0 HD13 ILE A 39 1.524 -0.112 -4.757 1.00 65.41 H new ATOM 618 N ARG A 40 4.882 -0.026 -9.018 1.00 71.01 N ATOM 619 CA ARG A 40 5.096 0.869 -10.149 1.00 70.52 C ATOM 620 C ARG A 40 4.433 0.320 -11.409 1.00 71.13 C ATOM 621 O ARG A 40 3.757 1.049 -12.134 1.00 53.02 O ATOM 622 CB ARG A 40 6.593 1.068 -10.393 1.00 60.42 C ATOM 623 CG ARG A 40 6.902 2.024 -11.533 1.00 64.14 C ATOM 624 CD ARG A 40 8.392 2.069 -11.834 1.00 64.30 C ATOM 625 NE ARG A 40 8.667 1.924 -13.261 1.00 44.00 N ATOM 626 CZ ARG A 40 9.892 1.839 -13.769 1.00 20.45 C ATOM 627 NH1 ARG A 40 10.949 1.883 -12.969 1.00 70.33 N ATOM 628 NH2 ARG A 40 10.061 1.708 -15.078 1.00 42.31 N ATOM 0 H ARG A 40 5.714 -0.536 -8.720 1.00 71.01 H new ATOM 0 HA ARG A 40 4.643 1.831 -9.910 1.00 70.52 H new ATOM 0 HB2 ARG A 40 7.055 1.444 -9.480 1.00 60.42 H new ATOM 0 HB3 ARG A 40 7.049 0.101 -10.607 1.00 60.42 H new ATOM 0 HG2 ARG A 40 6.359 1.715 -12.426 1.00 64.14 H new ATOM 0 HG3 ARG A 40 6.551 3.024 -11.276 1.00 64.14 H new ATOM 0 HD2 ARG A 40 8.805 3.013 -11.479 1.00 64.30 H new ATOM 0 HD3 ARG A 40 8.897 1.274 -11.285 1.00 64.30 H new ATOM 0 HE ARG A 40 7.875 1.886 -13.903 1.00 44.00 H new ATOM 0 HH11 ARG A 40 10.822 1.982 -11.962 1.00 70.33 H new ATOM 0 HH12 ARG A 40 11.888 1.818 -13.361 1.00 70.33 H new ATOM 0 HH21 ARG A 40 9.250 1.672 -15.696 1.00 42.31 H new ATOM 0 HH22 ARG A 40 11.002 1.643 -15.467 1.00 42.31 H new ATOM 642 N MET A 41 4.632 -0.969 -11.663 1.00 64.33 N ATOM 643 CA MET A 41 4.053 -1.615 -12.835 1.00 62.34 C ATOM 644 C MET A 41 2.553 -1.354 -12.915 1.00 15.55 C ATOM 645 O MET A 41 2.010 -1.117 -13.994 1.00 25.23 O ATOM 646 CB MET A 41 4.319 -3.122 -12.797 1.00 54.54 C ATOM 647 CG MET A 41 3.571 -3.898 -13.869 1.00 50.44 C ATOM 648 SD MET A 41 4.659 -4.943 -14.856 1.00 61.41 S ATOM 649 CE MET A 41 4.822 -3.956 -16.342 1.00 34.22 C ATOM 0 H MET A 41 5.190 -1.587 -11.073 1.00 64.33 H new ATOM 0 HA MET A 41 4.525 -1.192 -13.722 1.00 62.34 H new ATOM 0 HB2 MET A 41 5.389 -3.297 -12.913 1.00 54.54 H new ATOM 0 HB3 MET A 41 4.037 -3.508 -11.817 1.00 54.54 H new ATOM 0 HG2 MET A 41 2.808 -4.517 -13.398 1.00 50.44 H new ATOM 0 HG3 MET A 41 3.053 -3.198 -14.524 1.00 50.44 H new ATOM 0 HE1 MET A 41 5.469 -4.472 -17.052 1.00 34.22 H new ATOM 0 HE2 MET A 41 3.839 -3.806 -16.789 1.00 34.22 H new ATOM 0 HE3 MET A 41 5.258 -2.989 -16.091 1.00 34.22 H new ATOM 659 N ALA A 42 1.887 -1.398 -11.765 1.00 2.41 N ATOM 660 CA ALA A 42 0.450 -1.163 -11.705 1.00 32.53 C ATOM 661 C ALA A 42 0.140 0.326 -11.599 1.00 22.10 C ATOM 662 O ALA A 42 -0.860 0.801 -12.134 1.00 74.23 O ATOM 663 CB ALA A 42 -0.159 -1.916 -10.530 1.00 43.44 C ATOM 0 H ALA A 42 2.320 -1.594 -10.863 1.00 2.41 H new ATOM 0 HA ALA A 42 0.008 -1.534 -12.630 1.00 32.53 H new ATOM 0 HB1 ALA A 42 -1.233 -1.732 -10.497 1.00 43.44 H new ATOM 0 HB2 ALA A 42 0.022 -2.984 -10.649 1.00 43.44 H new ATOM 0 HB3 ALA A 42 0.297 -1.572 -9.602 1.00 43.44 H new ATOM 669 N ASN A 43 1.005 1.058 -10.904 1.00 64.34 N ATOM 670 CA ASN A 43 0.823 2.494 -10.728 1.00 30.25 C ATOM 671 C ASN A 43 0.770 3.206 -12.076 1.00 30.51 C ATOM 672 O ASN A 43 0.192 4.285 -12.198 1.00 13.52 O ATOM 673 CB ASN A 43 1.956 3.072 -9.877 1.00 71.12 C ATOM 674 CG ASN A 43 1.865 4.580 -9.741 1.00 61.40 C ATOM 675 OD1 ASN A 43 0.780 5.157 -9.817 1.00 63.32 O ATOM 676 ND2 ASN A 43 3.008 5.225 -9.539 1.00 11.14 N ATOM 0 H ASN A 43 1.839 0.680 -10.454 1.00 64.34 H new ATOM 0 HA ASN A 43 -0.126 2.654 -10.216 1.00 30.25 H new ATOM 0 HB2 ASN A 43 1.930 2.618 -8.886 1.00 71.12 H new ATOM 0 HB3 ASN A 43 2.914 2.807 -10.324 1.00 71.12 H new ATOM 0 HD21 ASN A 43 3.010 6.240 -9.440 1.00 11.14 H new ATOM 0 HD22 ASN A 43 3.884 4.705 -9.483 1.00 11.14 H new ATOM 683 N VAL A 44 1.377 2.592 -13.087 1.00 2.30 N ATOM 684 CA VAL A 44 1.398 3.166 -14.427 1.00 61.43 C ATOM 685 C VAL A 44 0.423 2.443 -15.350 1.00 30.44 C ATOM 686 O VAL A 44 -0.417 3.069 -15.995 1.00 73.02 O ATOM 687 CB VAL A 44 2.809 3.105 -15.042 1.00 3.33 C ATOM 688 CG1 VAL A 44 2.855 3.877 -16.352 1.00 0.14 C ATOM 689 CG2 VAL A 44 3.840 3.642 -14.061 1.00 4.44 C ATOM 0 H VAL A 44 1.860 1.698 -13.003 1.00 2.30 H new ATOM 0 HA VAL A 44 1.097 4.209 -14.329 1.00 61.43 H new ATOM 0 HB VAL A 44 3.050 2.063 -15.254 1.00 3.33 H new ATOM 0 HG11 VAL A 44 3.860 3.822 -16.771 1.00 0.14 H new ATOM 0 HG12 VAL A 44 2.144 3.443 -17.055 1.00 0.14 H new ATOM 0 HG13 VAL A 44 2.594 4.919 -16.169 1.00 0.14 H new ATOM 0 HG21 VAL A 44 4.831 3.592 -14.511 1.00 4.44 H new ATOM 0 HG22 VAL A 44 3.605 4.678 -13.816 1.00 4.44 H new ATOM 0 HG23 VAL A 44 3.824 3.042 -13.151 1.00 4.44 H new ATOM 699 N SER A 45 0.540 1.120 -15.406 1.00 24.20 N ATOM 700 CA SER A 45 -0.329 0.311 -16.252 1.00 61.40 C ATOM 701 C SER A 45 -1.797 0.574 -15.932 1.00 31.15 C ATOM 702 O SER A 45 -2.656 0.526 -16.813 1.00 32.54 O ATOM 703 CB SER A 45 -0.014 -1.175 -16.070 1.00 21.42 C ATOM 704 OG SER A 45 -0.878 -1.980 -16.854 1.00 10.24 O ATOM 0 H SER A 45 1.228 0.586 -14.875 1.00 24.20 H new ATOM 0 HA SER A 45 -0.146 0.590 -17.290 1.00 61.40 H new ATOM 0 HB2 SER A 45 1.022 -1.367 -16.351 1.00 21.42 H new ATOM 0 HB3 SER A 45 -0.115 -1.445 -15.019 1.00 21.42 H new ATOM 0 HG SER A 45 -0.655 -2.925 -16.721 1.00 10.24 H new ATOM 710 N THR A 46 -2.079 0.853 -14.662 1.00 64.15 N ATOM 711 CA THR A 46 -3.442 1.123 -14.223 1.00 62.25 C ATOM 712 C THR A 46 -3.525 2.444 -13.468 1.00 3.03 C ATOM 713 O THR A 46 -4.265 2.568 -12.493 1.00 74.43 O ATOM 714 CB THR A 46 -3.975 -0.006 -13.321 1.00 54.03 C ATOM 715 OG1 THR A 46 -3.350 0.058 -12.035 1.00 1.22 O ATOM 716 CG2 THR A 46 -3.718 -1.368 -13.949 1.00 2.43 C ATOM 0 H THR A 46 -1.381 0.898 -13.920 1.00 64.15 H new ATOM 0 HA THR A 46 -4.058 1.182 -15.121 1.00 62.25 H new ATOM 0 HB THR A 46 -5.051 0.127 -13.208 1.00 54.03 H new ATOM 0 HG1 THR A 46 -2.380 -0.041 -12.137 1.00 1.22 H new ATOM 0 HG21 THR A 46 -4.103 -2.149 -13.294 1.00 2.43 H new ATOM 0 HG22 THR A 46 -4.220 -1.424 -14.915 1.00 2.43 H new ATOM 0 HG23 THR A 46 -2.646 -1.508 -14.089 1.00 2.43 H new ATOM 851 N THR A 56 -3.373 7.345 -0.618 1.00 54.11 N ATOM 852 CA THR A 56 -4.762 6.993 -0.353 1.00 34.20 C ATOM 853 C THR A 56 -4.936 5.482 -0.247 1.00 3.04 C ATOM 854 O THR A 56 -4.686 4.749 -1.205 1.00 11.14 O ATOM 855 CB THR A 56 -5.698 7.529 -1.453 1.00 1.21 C ATOM 856 OG1 THR A 56 -6.998 6.945 -1.318 1.00 13.22 O ATOM 857 CG2 THR A 56 -5.140 7.223 -2.835 1.00 20.14 C ATOM 0 HA THR A 56 -5.028 7.455 0.598 1.00 34.20 H new ATOM 0 HB THR A 56 -5.773 8.611 -1.340 1.00 1.21 H new ATOM 0 HG1 THR A 56 -7.587 7.292 -2.020 1.00 13.22 H new ATOM 0 HG21 THR A 56 -5.818 7.611 -3.595 1.00 20.14 H new ATOM 0 HG22 THR A 56 -4.163 7.694 -2.945 1.00 20.14 H new ATOM 0 HG23 THR A 56 -5.038 6.144 -2.956 1.00 20.14 H new ATOM 865 N LEU A 57 -5.365 5.022 0.923 1.00 32.51 N ATOM 866 CA LEU A 57 -5.573 3.596 1.155 1.00 51.34 C ATOM 867 C LEU A 57 -6.784 3.089 0.377 1.00 4.23 C ATOM 868 O LEU A 57 -6.854 1.915 0.015 1.00 64.31 O ATOM 869 CB LEU A 57 -5.761 3.324 2.648 1.00 11.21 C ATOM 870 CG LEU A 57 -4.770 2.348 3.283 1.00 44.34 C ATOM 871 CD1 LEU A 57 -5.140 2.078 4.733 1.00 52.14 C ATOM 872 CD2 LEU A 57 -4.720 1.049 2.492 1.00 43.11 C ATOM 0 H LEU A 57 -5.576 5.615 1.726 1.00 32.51 H new ATOM 0 HA LEU A 57 -4.689 3.063 0.804 1.00 51.34 H new ATOM 0 HB2 LEU A 57 -5.697 4.273 3.180 1.00 11.21 H new ATOM 0 HB3 LEU A 57 -6.769 2.939 2.803 1.00 11.21 H new ATOM 0 HG LEU A 57 -3.779 2.801 3.262 1.00 44.34 H new ATOM 0 HD11 LEU A 57 -4.423 1.381 5.168 1.00 52.14 H new ATOM 0 HD12 LEU A 57 -5.123 3.013 5.293 1.00 52.14 H new ATOM 0 HD13 LEU A 57 -6.140 1.646 4.779 1.00 52.14 H new ATOM 0 HD21 LEU A 57 -4.010 0.366 2.958 1.00 43.11 H new ATOM 0 HD22 LEU A 57 -5.709 0.591 2.481 1.00 43.11 H new ATOM 0 HD23 LEU A 57 -4.405 1.258 1.469 1.00 43.11 H new ATOM 884 N ASP A 58 -7.733 3.983 0.123 1.00 33.50 N ATOM 885 CA ASP A 58 -8.940 3.627 -0.615 1.00 20.35 C ATOM 886 C ASP A 58 -8.618 3.339 -2.078 1.00 4.14 C ATOM 887 O ASP A 58 -8.874 2.243 -2.575 1.00 30.01 O ATOM 888 CB ASP A 58 -9.972 4.751 -0.518 1.00 54.13 C ATOM 889 CG ASP A 58 -11.348 4.315 -0.982 1.00 33.10 C ATOM 890 OD1 ASP A 58 -11.578 4.282 -2.209 1.00 55.12 O ATOM 891 OD2 ASP A 58 -12.195 4.006 -0.118 1.00 23.52 O ATOM 0 H ASP A 58 -7.690 4.959 0.417 1.00 33.50 H new ATOM 0 HA ASP A 58 -9.356 2.723 -0.169 1.00 20.35 H new ATOM 0 HB2 ASP A 58 -10.032 5.097 0.514 1.00 54.13 H new ATOM 0 HB3 ASP A 58 -9.640 5.598 -1.119 1.00 54.13 H new ATOM 896 N GLN A 59 -8.056 4.331 -2.760 1.00 45.15 N ATOM 897 CA GLN A 59 -7.700 4.184 -4.167 1.00 53.30 C ATOM 898 C GLN A 59 -6.741 3.016 -4.367 1.00 61.31 C ATOM 899 O GLN A 59 -6.880 2.240 -5.313 1.00 60.53 O ATOM 900 CB GLN A 59 -7.068 5.474 -4.692 1.00 51.35 C ATOM 901 CG GLN A 59 -7.480 5.819 -6.115 1.00 34.54 C ATOM 902 CD GLN A 59 -6.292 6.039 -7.029 1.00 50.55 C ATOM 903 OE1 GLN A 59 -5.508 5.123 -7.280 1.00 53.44 O ATOM 904 NE2 GLN A 59 -6.152 7.260 -7.534 1.00 62.31 N ATOM 0 H GLN A 59 -7.837 5.244 -2.362 1.00 45.15 H new ATOM 0 HA GLN A 59 -8.613 3.980 -4.727 1.00 53.30 H new ATOM 0 HB2 GLN A 59 -7.343 6.298 -4.033 1.00 51.35 H new ATOM 0 HB3 GLN A 59 -5.983 5.381 -4.649 1.00 51.35 H new ATOM 0 HG2 GLN A 59 -8.098 5.015 -6.515 1.00 34.54 H new ATOM 0 HG3 GLN A 59 -8.096 6.718 -6.103 1.00 34.54 H new ATOM 0 HE21 GLN A 59 -6.825 7.989 -7.299 1.00 62.31 H new ATOM 0 HE22 GLN A 59 -5.371 7.468 -8.156 1.00 62.31 H new ATOM 913 N LEU A 60 -5.767 2.896 -3.471 1.00 53.12 N ATOM 914 CA LEU A 60 -4.784 1.822 -3.549 1.00 64.22 C ATOM 915 C LEU A 60 -5.463 0.457 -3.502 1.00 61.13 C ATOM 916 O LEU A 60 -5.198 -0.408 -4.337 1.00 72.23 O ATOM 917 CB LEU A 60 -3.776 1.942 -2.405 1.00 0.24 C ATOM 918 CG LEU A 60 -2.729 0.831 -2.312 1.00 53.31 C ATOM 919 CD1 LEU A 60 -1.475 1.214 -3.082 1.00 3.55 C ATOM 920 CD2 LEU A 60 -2.395 0.533 -0.858 1.00 11.22 C ATOM 0 H LEU A 60 -5.637 3.530 -2.682 1.00 53.12 H new ATOM 0 HA LEU A 60 -4.258 1.913 -4.500 1.00 64.22 H new ATOM 0 HB2 LEU A 60 -3.257 2.895 -2.504 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -4.326 1.975 -1.465 1.00 0.24 H new ATOM 0 HG LEU A 60 -3.144 -0.072 -2.760 1.00 53.31 H new ATOM 0 HD11 LEU A 60 -0.741 0.412 -3.005 1.00 3.55 H new ATOM 0 HD12 LEU A 60 -1.727 1.376 -4.130 1.00 3.55 H new ATOM 0 HD13 LEU A 60 -1.057 2.130 -2.664 1.00 3.55 H new ATOM 0 HD21 LEU A 60 -1.649 -0.260 -0.811 1.00 11.22 H new ATOM 0 HD22 LEU A 60 -2.000 1.432 -0.384 1.00 11.22 H new ATOM 0 HD23 LEU A 60 -3.297 0.214 -0.336 1.00 11.22 H new ATOM 932 N ARG A 61 -6.341 0.272 -2.522 1.00 50.10 N ATOM 933 CA ARG A 61 -7.059 -0.987 -2.367 1.00 74.11 C ATOM 934 C ARG A 61 -7.795 -1.355 -3.652 1.00 65.35 C ATOM 935 O ARG A 61 -7.786 -2.512 -4.076 1.00 32.14 O ATOM 936 CB ARG A 61 -8.053 -0.893 -1.208 1.00 11.42 C ATOM 937 CG ARG A 61 -8.961 -2.105 -1.084 1.00 14.12 C ATOM 938 CD ARG A 61 -9.789 -2.053 0.191 1.00 61.01 C ATOM 939 NE ARG A 61 -11.052 -2.772 0.053 1.00 73.40 N ATOM 940 CZ ARG A 61 -11.922 -2.928 1.045 1.00 2.32 C ATOM 941 NH1 ARG A 61 -11.666 -2.416 2.241 1.00 22.34 N ATOM 942 NH2 ARG A 61 -13.050 -3.595 0.842 1.00 73.33 N ATOM 0 H ARG A 61 -6.572 0.978 -1.823 1.00 50.10 H new ATOM 0 HA ARG A 61 -6.330 -1.767 -2.149 1.00 74.11 H new ATOM 0 HB2 ARG A 61 -7.501 -0.766 -0.277 1.00 11.42 H new ATOM 0 HB3 ARG A 61 -8.667 -0.002 -1.338 1.00 11.42 H new ATOM 0 HG2 ARG A 61 -9.624 -2.154 -1.948 1.00 14.12 H new ATOM 0 HG3 ARG A 61 -8.359 -3.014 -1.092 1.00 14.12 H new ATOM 0 HD2 ARG A 61 -9.216 -2.482 1.013 1.00 61.01 H new ATOM 0 HD3 ARG A 61 -9.990 -1.014 0.450 1.00 61.01 H new ATOM 0 HE ARG A 61 -11.279 -3.177 -0.855 1.00 73.40 H new ATOM 0 HH11 ARG A 61 -10.800 -1.901 2.401 1.00 22.34 H new ATOM 0 HH12 ARG A 61 -12.335 -2.537 3.001 1.00 22.34 H new ATOM 0 HH21 ARG A 61 -13.251 -3.989 -0.077 1.00 73.33 H new ATOM 0 HH22 ARG A 61 -13.717 -3.714 1.605 1.00 73.33 H new ATOM 956 N LEU A 62 -8.430 -0.365 -4.269 1.00 1.21 N ATOM 957 CA LEU A 62 -9.171 -0.584 -5.506 1.00 61.12 C ATOM 958 C LEU A 62 -8.232 -0.987 -6.639 1.00 33.51 C ATOM 959 O LEU A 62 -8.560 -1.850 -7.453 1.00 70.44 O ATOM 960 CB LEU A 62 -9.942 0.679 -5.893 1.00 3.41 C ATOM 961 CG LEU A 62 -10.708 0.620 -7.215 1.00 4.10 C ATOM 962 CD1 LEU A 62 -11.704 -0.529 -7.204 1.00 25.11 C ATOM 963 CD2 LEU A 62 -11.417 1.940 -7.480 1.00 43.22 C ATOM 0 H LEU A 62 -8.447 0.598 -3.933 1.00 1.21 H new ATOM 0 HA LEU A 62 -9.878 -1.396 -5.338 1.00 61.12 H new ATOM 0 HB2 LEU A 62 -10.650 0.907 -5.096 1.00 3.41 H new ATOM 0 HB3 LEU A 62 -9.238 1.510 -5.941 1.00 3.41 H new ATOM 0 HG LEU A 62 -9.993 0.446 -8.019 1.00 4.10 H new ATOM 0 HD11 LEU A 62 -12.240 -0.555 -8.153 1.00 25.11 H new ATOM 0 HD12 LEU A 62 -11.173 -1.470 -7.061 1.00 25.11 H new ATOM 0 HD13 LEU A 62 -12.415 -0.387 -6.390 1.00 25.11 H new ATOM 0 HD21 LEU A 62 -11.957 1.880 -8.425 1.00 43.22 H new ATOM 0 HD22 LEU A 62 -12.120 2.144 -6.673 1.00 43.22 H new ATOM 0 HD23 LEU A 62 -10.682 2.743 -7.533 1.00 43.22 H new ATOM 975 N VAL A 63 -7.062 -0.359 -6.683 1.00 50.41 N ATOM 976 CA VAL A 63 -6.074 -0.654 -7.714 1.00 22.14 C ATOM 977 C VAL A 63 -5.698 -2.132 -7.707 1.00 50.41 C ATOM 978 O VAL A 63 -5.654 -2.776 -8.756 1.00 11.33 O ATOM 979 CB VAL A 63 -4.799 0.189 -7.527 1.00 3.51 C ATOM 980 CG1 VAL A 63 -3.769 -0.156 -8.592 1.00 20.03 C ATOM 981 CG2 VAL A 63 -5.133 1.673 -7.558 1.00 43.20 C ATOM 0 H VAL A 63 -6.775 0.358 -6.016 1.00 50.41 H new ATOM 0 HA VAL A 63 -6.530 -0.402 -8.671 1.00 22.14 H new ATOM 0 HB VAL A 63 -4.370 -0.044 -6.552 1.00 3.51 H new ATOM 0 HG11 VAL A 63 -2.875 0.450 -8.443 1.00 20.03 H new ATOM 0 HG12 VAL A 63 -3.508 -1.212 -8.518 1.00 20.03 H new ATOM 0 HG13 VAL A 63 -4.185 0.046 -9.579 1.00 20.03 H new ATOM 0 HG21 VAL A 63 -4.221 2.254 -7.424 1.00 43.20 H new ATOM 0 HG22 VAL A 63 -5.586 1.924 -8.517 1.00 43.20 H new ATOM 0 HG23 VAL A 63 -5.832 1.905 -6.755 1.00 43.20 H new ATOM 991 N ILE A 64 -5.428 -2.662 -6.519 1.00 74.53 N ATOM 992 CA ILE A 64 -5.058 -4.065 -6.376 1.00 41.04 C ATOM 993 C ILE A 64 -6.171 -4.981 -6.873 1.00 71.03 C ATOM 994 O ILE A 64 -5.938 -5.870 -7.694 1.00 0.44 O ATOM 995 CB ILE A 64 -4.735 -4.416 -4.912 1.00 13.42 C ATOM 996 CG1 ILE A 64 -3.596 -3.536 -4.393 1.00 12.40 C ATOM 997 CG2 ILE A 64 -4.373 -5.888 -4.787 1.00 75.00 C ATOM 998 CD1 ILE A 64 -3.510 -3.486 -2.884 1.00 32.34 C ATOM 0 H ILE A 64 -5.458 -2.142 -5.642 1.00 74.53 H new ATOM 0 HA ILE A 64 -4.166 -4.219 -6.983 1.00 41.04 H new ATOM 0 HB ILE A 64 -5.621 -4.227 -4.305 1.00 13.42 H new ATOM 0 HG12 ILE A 64 -2.651 -3.907 -4.790 1.00 12.40 H new ATOM 0 HG13 ILE A 64 -3.727 -2.524 -4.775 1.00 12.40 H new ATOM 0 HG21 ILE A 64 -4.147 -6.120 -3.746 1.00 75.00 H new ATOM 0 HG22 ILE A 64 -5.212 -6.499 -5.121 1.00 75.00 H new ATOM 0 HG23 ILE A 64 -3.500 -6.102 -5.404 1.00 75.00 H new ATOM 0 HD11 ILE A 64 -2.680 -2.844 -2.588 1.00 32.34 H new ATOM 0 HD12 ILE A 64 -4.440 -3.087 -2.480 1.00 32.34 H new ATOM 0 HD13 ILE A 64 -3.348 -4.491 -2.495 1.00 32.34 H new ATOM 1010 N CYS A 65 -7.381 -4.758 -6.373 1.00 11.43 N ATOM 1011 CA CYS A 65 -8.532 -5.562 -6.767 1.00 30.55 C ATOM 1012 C CYS A 65 -8.790 -5.445 -8.265 1.00 72.42 C ATOM 1013 O CYS A 65 -9.162 -6.420 -8.919 1.00 53.11 O ATOM 1014 CB CYS A 65 -9.774 -5.129 -5.987 1.00 55.23 C ATOM 1015 SG CYS A 65 -10.722 -6.500 -5.287 1.00 13.13 S ATOM 0 H CYS A 65 -7.591 -4.027 -5.694 1.00 11.43 H new ATOM 0 HA CYS A 65 -8.312 -6.604 -6.536 1.00 30.55 H new ATOM 0 HB2 CYS A 65 -9.469 -4.463 -5.180 1.00 55.23 H new ATOM 0 HB3 CYS A 65 -10.422 -4.553 -6.648 1.00 55.23 H new ATOM 0 HG CYS A 65 -11.751 -6.033 -4.645 1.00 13.13 H new ATOM 1021 N ASP A 66 -8.592 -4.247 -8.802 1.00 42.23 N ATOM 1022 CA ASP A 66 -8.804 -4.002 -10.224 1.00 44.52 C ATOM 1023 C ASP A 66 -7.749 -4.717 -11.062 1.00 64.11 C ATOM 1024 O ASP A 66 -8.071 -5.576 -11.884 1.00 61.01 O ATOM 1025 CB ASP A 66 -8.772 -2.500 -10.515 1.00 24.31 C ATOM 1026 CG ASP A 66 -9.580 -2.131 -11.743 1.00 35.02 C ATOM 1027 OD1 ASP A 66 -9.703 -2.981 -12.650 1.00 0.44 O ATOM 1028 OD2 ASP A 66 -10.090 -0.992 -11.797 1.00 73.15 O ATOM 0 H ASP A 66 -8.285 -3.430 -8.274 1.00 42.23 H new ATOM 0 HA ASP A 66 -9.784 -4.396 -10.493 1.00 44.52 H new ATOM 0 HB2 ASP A 66 -9.159 -1.957 -9.652 1.00 24.31 H new ATOM 0 HB3 ASP A 66 -7.739 -2.182 -10.654 1.00 24.31 H new ATOM 1033 N LEU A 67 -6.488 -4.357 -10.849 1.00 63.35 N ATOM 1034 CA LEU A 67 -5.384 -4.964 -11.586 1.00 32.12 C ATOM 1035 C LEU A 67 -5.435 -6.485 -11.487 1.00 22.44 C ATOM 1036 O LEU A 67 -5.191 -7.189 -12.467 1.00 10.43 O ATOM 1037 CB LEU A 67 -4.046 -4.451 -11.052 1.00 63.11 C ATOM 1038 CG LEU A 67 -2.797 -5.155 -11.584 1.00 2.01 C ATOM 1039 CD1 LEU A 67 -1.924 -4.180 -12.359 1.00 22.22 C ATOM 1040 CD2 LEU A 67 -2.012 -5.785 -10.442 1.00 14.40 C ATOM 0 H LEU A 67 -6.204 -3.648 -10.172 1.00 63.35 H new ATOM 0 HA LEU A 67 -5.481 -4.683 -12.635 1.00 32.12 H new ATOM 0 HB2 LEU A 67 -3.967 -3.389 -11.285 1.00 63.11 H new ATOM 0 HB3 LEU A 67 -4.053 -4.539 -9.966 1.00 63.11 H new ATOM 0 HG LEU A 67 -3.112 -5.948 -12.263 1.00 2.01 H new ATOM 0 HD11 LEU A 67 -1.040 -4.699 -12.730 1.00 22.22 H new ATOM 0 HD12 LEU A 67 -2.488 -3.776 -13.200 1.00 22.22 H new ATOM 0 HD13 LEU A 67 -1.618 -3.365 -11.703 1.00 22.22 H new ATOM 0 HD21 LEU A 67 -1.127 -6.281 -10.839 1.00 14.40 H new ATOM 0 HD22 LEU A 67 -1.708 -5.010 -9.738 1.00 14.40 H new ATOM 0 HD23 LEU A 67 -2.638 -6.515 -9.929 1.00 14.40 H new ATOM 1052 N GLN A 68 -5.755 -6.985 -10.297 1.00 63.44 N ATOM 1053 CA GLN A 68 -5.839 -8.423 -10.071 1.00 62.44 C ATOM 1054 C GLN A 68 -6.957 -9.041 -10.904 1.00 52.13 C ATOM 1055 O GLN A 68 -6.811 -10.140 -11.438 1.00 34.01 O ATOM 1056 CB GLN A 68 -6.071 -8.715 -8.588 1.00 21.21 C ATOM 1057 CG GLN A 68 -5.814 -10.164 -8.205 1.00 42.32 C ATOM 1058 CD GLN A 68 -6.994 -10.799 -7.497 1.00 55.25 C ATOM 1059 OE1 GLN A 68 -8.051 -11.010 -8.094 1.00 43.43 O ATOM 1060 NE2 GLN A 68 -6.822 -11.108 -6.218 1.00 4.23 N ATOM 0 H GLN A 68 -5.960 -6.416 -9.476 1.00 63.44 H new ATOM 0 HA GLN A 68 -4.893 -8.869 -10.378 1.00 62.44 H new ATOM 0 HB2 GLN A 68 -5.423 -8.071 -7.994 1.00 21.21 H new ATOM 0 HB3 GLN A 68 -7.099 -8.457 -8.332 1.00 21.21 H new ATOM 0 HG2 GLN A 68 -5.582 -10.737 -9.103 1.00 42.32 H new ATOM 0 HG3 GLN A 68 -4.937 -10.215 -7.559 1.00 42.32 H new ATOM 0 HE21 GLN A 68 -5.930 -10.916 -5.762 1.00 4.23 H new ATOM 0 HE22 GLN A 68 -7.582 -11.538 -5.690 1.00 4.23 H new ATOM 1069 N GLU A 69 -8.073 -8.326 -11.010 1.00 72.24 N ATOM 1070 CA GLU A 69 -9.217 -8.806 -11.778 1.00 4.12 C ATOM 1071 C GLU A 69 -8.893 -8.847 -13.268 1.00 41.25 C ATOM 1072 O GLU A 69 -9.204 -9.820 -13.955 1.00 41.15 O ATOM 1073 CB GLU A 69 -10.434 -7.912 -11.533 1.00 52.04 C ATOM 1074 CG GLU A 69 -11.746 -8.534 -11.983 1.00 2.15 C ATOM 1075 CD GLU A 69 -12.638 -7.550 -12.714 1.00 1.43 C ATOM 1076 OE1 GLU A 69 -12.991 -6.512 -12.115 1.00 44.32 O ATOM 1077 OE2 GLU A 69 -12.984 -7.817 -13.883 1.00 45.14 O ATOM 0 H GLU A 69 -8.209 -7.414 -10.575 1.00 72.24 H new ATOM 0 HA GLU A 69 -9.447 -9.819 -11.446 1.00 4.12 H new ATOM 0 HB2 GLU A 69 -10.497 -7.681 -10.470 1.00 52.04 H new ATOM 0 HB3 GLU A 69 -10.291 -6.967 -12.056 1.00 52.04 H new ATOM 0 HG2 GLU A 69 -11.537 -9.382 -12.635 1.00 2.15 H new ATOM 0 HG3 GLU A 69 -12.276 -8.923 -11.114 1.00 2.15 H new ATOM 1084 N ARG A 70 -8.267 -7.783 -13.761 1.00 71.04 N ATOM 1085 CA ARG A 70 -7.903 -7.696 -15.170 1.00 44.24 C ATOM 1086 C ARG A 70 -6.838 -8.731 -15.522 1.00 1.24 C ATOM 1087 O ARG A 70 -7.044 -9.577 -16.392 1.00 22.03 O ATOM 1088 CB ARG A 70 -7.393 -6.292 -15.501 1.00 52.24 C ATOM 1089 CG ARG A 70 -8.492 -5.244 -15.562 1.00 13.31 C ATOM 1090 CD ARG A 70 -7.953 -3.897 -16.020 1.00 35.35 C ATOM 1091 NE ARG A 70 -9.009 -2.895 -16.131 1.00 54.44 N ATOM 1092 CZ ARG A 70 -8.880 -1.765 -16.818 1.00 10.43 C ATOM 1093 NH1 ARG A 70 -7.746 -1.495 -17.450 1.00 73.32 N ATOM 1094 NH2 ARG A 70 -9.886 -0.901 -16.873 1.00 34.53 N ATOM 0 H ARG A 70 -8.002 -6.970 -13.206 1.00 71.04 H new ATOM 0 HA ARG A 70 -8.794 -7.901 -15.763 1.00 44.24 H new ATOM 0 HB2 ARG A 70 -6.660 -5.995 -14.751 1.00 52.24 H new ATOM 0 HB3 ARG A 70 -6.875 -6.319 -16.460 1.00 52.24 H new ATOM 0 HG2 ARG A 70 -9.275 -5.575 -16.245 1.00 13.31 H new ATOM 0 HG3 ARG A 70 -8.951 -5.138 -14.579 1.00 13.31 H new ATOM 0 HD2 ARG A 70 -7.197 -3.550 -15.316 1.00 35.35 H new ATOM 0 HD3 ARG A 70 -7.460 -4.013 -16.985 1.00 35.35 H new ATOM 0 HE ARG A 70 -9.894 -3.072 -15.655 1.00 54.44 H new ATOM 0 HH11 ARG A 70 -6.970 -2.156 -17.410 1.00 73.32 H new ATOM 0 HH12 ARG A 70 -7.650 -0.627 -17.977 1.00 73.32 H new ATOM 0 HH21 ARG A 70 -10.760 -1.104 -16.387 1.00 34.53 H new ATOM 0 HH22 ARG A 70 -9.785 -0.034 -17.401 1.00 34.53 H new ATOM 1108 N ARG A 71 -5.700 -8.656 -14.839 1.00 62.33 N ATOM 1109 CA ARG A 71 -4.602 -9.585 -15.080 1.00 73.24 C ATOM 1110 C ARG A 71 -5.086 -11.030 -15.003 1.00 72.33 C ATOM 1111 O ARG A 71 -4.665 -11.878 -15.789 1.00 25.21 O ATOM 1112 CB ARG A 71 -3.481 -9.357 -14.065 1.00 64.05 C ATOM 1113 CG ARG A 71 -2.418 -8.380 -14.542 1.00 22.33 C ATOM 1114 CD ARG A 71 -3.025 -7.039 -14.922 1.00 45.31 C ATOM 1115 NE ARG A 71 -3.286 -6.943 -16.356 1.00 23.02 N ATOM 1116 CZ ARG A 71 -2.329 -6.871 -17.274 1.00 65.50 C ATOM 1117 NH1 ARG A 71 -1.054 -6.885 -16.910 1.00 23.30 N ATOM 1118 NH2 ARG A 71 -2.646 -6.786 -18.560 1.00 22.53 N ATOM 0 H ARG A 71 -5.514 -7.962 -14.115 1.00 62.33 H new ATOM 0 HA ARG A 71 -4.217 -9.401 -16.083 1.00 73.24 H new ATOM 0 HB2 ARG A 71 -3.913 -8.986 -13.136 1.00 64.05 H new ATOM 0 HB3 ARG A 71 -3.009 -10.312 -13.837 1.00 64.05 H new ATOM 0 HG2 ARG A 71 -1.676 -8.235 -13.756 1.00 22.33 H new ATOM 0 HG3 ARG A 71 -1.895 -8.800 -15.401 1.00 22.33 H new ATOM 0 HD2 ARG A 71 -3.956 -6.894 -14.374 1.00 45.31 H new ATOM 0 HD3 ARG A 71 -2.350 -6.237 -14.622 1.00 45.31 H new ATOM 0 HE ARG A 71 -4.257 -6.931 -16.670 1.00 23.02 H new ATOM 0 HH11 ARG A 71 -0.806 -6.951 -15.923 1.00 23.30 H new ATOM 0 HH12 ARG A 71 -0.321 -6.830 -17.617 1.00 23.30 H new ATOM 0 HH21 ARG A 71 -3.626 -6.776 -18.844 1.00 22.53 H new ATOM 0 HH22 ARG A 71 -1.910 -6.731 -19.264 1.00 22.53 H new ATOM 1132 N GLU A 72 -5.973 -11.302 -14.051 1.00 71.10 N ATOM 1133 CA GLU A 72 -6.513 -12.645 -13.871 1.00 44.23 C ATOM 1134 C GLU A 72 -7.238 -13.113 -15.130 1.00 5.21 C ATOM 1135 O GLU A 72 -6.973 -14.199 -15.645 1.00 71.41 O ATOM 1136 CB GLU A 72 -7.468 -12.679 -12.677 1.00 11.13 C ATOM 1137 CG GLU A 72 -8.195 -14.004 -12.516 1.00 43.40 C ATOM 1138 CD GLU A 72 -9.456 -14.082 -13.354 1.00 32.42 C ATOM 1139 OE1 GLU A 72 -10.317 -13.188 -13.214 1.00 72.50 O ATOM 1140 OE2 GLU A 72 -9.583 -15.037 -14.149 1.00 23.15 O ATOM 0 H GLU A 72 -6.333 -10.611 -13.393 1.00 71.10 H new ATOM 0 HA GLU A 72 -5.680 -13.321 -13.680 1.00 44.23 H new ATOM 0 HB2 GLU A 72 -6.906 -12.470 -11.767 1.00 11.13 H new ATOM 0 HB3 GLU A 72 -8.203 -11.882 -12.788 1.00 11.13 H new ATOM 0 HG2 GLU A 72 -7.526 -14.818 -12.796 1.00 43.40 H new ATOM 0 HG3 GLU A 72 -8.451 -14.149 -11.466 1.00 43.40 H new ATOM 1147 N LYS A 73 -8.154 -12.285 -15.620 1.00 30.01 N ATOM 1148 CA LYS A 73 -8.918 -12.611 -16.818 1.00 71.41 C ATOM 1149 C LYS A 73 -7.993 -12.831 -18.011 1.00 4.24 C ATOM 1150 O LYS A 73 -8.311 -13.592 -18.925 1.00 12.34 O ATOM 1151 CB LYS A 73 -9.915 -11.494 -17.132 1.00 55.10 C ATOM 1152 CG LYS A 73 -11.173 -11.980 -17.832 1.00 43.23 C ATOM 1153 CD LYS A 73 -11.259 -11.450 -19.254 1.00 33.11 C ATOM 1154 CE LYS A 73 -12.420 -12.076 -20.012 1.00 50.30 C ATOM 1155 NZ LYS A 73 -13.079 -11.099 -20.923 1.00 3.45 N ATOM 0 H LYS A 73 -8.385 -11.382 -15.205 1.00 30.01 H new ATOM 0 HA LYS A 73 -9.464 -13.535 -16.629 1.00 71.41 H new ATOM 0 HB2 LYS A 73 -10.195 -10.997 -16.203 1.00 55.10 H new ATOM 0 HB3 LYS A 73 -9.426 -10.748 -17.758 1.00 55.10 H new ATOM 0 HG2 LYS A 73 -11.184 -13.070 -17.847 1.00 43.23 H new ATOM 0 HG3 LYS A 73 -12.050 -11.660 -17.270 1.00 43.23 H new ATOM 0 HD2 LYS A 73 -11.378 -10.367 -19.233 1.00 33.11 H new ATOM 0 HD3 LYS A 73 -10.326 -11.658 -19.778 1.00 33.11 H new ATOM 0 HE2 LYS A 73 -12.059 -12.926 -20.591 1.00 50.30 H new ATOM 0 HE3 LYS A 73 -13.152 -12.461 -19.302 1.00 50.30 H new ATOM 0 HZ1 LYS A 73 -13.865 -11.564 -21.421 1.00 3.45 H new ATOM 0 HZ2 LYS A 73 -13.446 -10.300 -20.368 1.00 3.45 H new ATOM 0 HZ3 LYS A 73 -12.387 -10.750 -21.617 1.00 3.45 H new ATOM 1169 N PHE A 74 -6.845 -12.161 -17.994 1.00 50.13 N ATOM 1170 CA PHE A 74 -5.873 -12.283 -19.074 1.00 61.43 C ATOM 1171 C PHE A 74 -5.031 -13.545 -18.908 1.00 2.14 C ATOM 1172 O PHE A 74 -4.520 -14.097 -19.881 1.00 44.53 O ATOM 1173 CB PHE A 74 -4.965 -11.052 -19.114 1.00 71.31 C ATOM 1174 CG PHE A 74 -4.263 -10.867 -20.429 1.00 21.51 C ATOM 1175 CD1 PHE A 74 -4.876 -10.185 -21.467 1.00 72.21 C ATOM 1176 CD2 PHE A 74 -2.989 -11.377 -20.627 1.00 15.43 C ATOM 1177 CE1 PHE A 74 -4.233 -10.013 -22.678 1.00 63.12 C ATOM 1178 CE2 PHE A 74 -2.341 -11.207 -21.835 1.00 62.22 C ATOM 1179 CZ PHE A 74 -2.964 -10.526 -22.863 1.00 4.33 C ATOM 0 H PHE A 74 -6.565 -11.528 -17.244 1.00 50.13 H new ATOM 0 HA PHE A 74 -6.420 -12.353 -20.014 1.00 61.43 H new ATOM 0 HB2 PHE A 74 -5.560 -10.164 -18.901 1.00 71.31 H new ATOM 0 HB3 PHE A 74 -4.220 -11.134 -18.322 1.00 71.31 H new ATOM 0 HD1 PHE A 74 -5.869 -9.783 -21.328 1.00 72.21 H new ATOM 0 HD2 PHE A 74 -2.498 -11.913 -19.828 1.00 15.43 H new ATOM 0 HE1 PHE A 74 -4.722 -9.478 -23.479 1.00 63.12 H new ATOM 0 HE2 PHE A 74 -1.347 -11.606 -21.976 1.00 62.22 H new ATOM 0 HZ PHE A 74 -2.460 -10.395 -23.809 1.00 4.33 H new ATOM 1189 N GLY A 75 -4.891 -13.996 -17.665 1.00 4.14 N ATOM 1190 CA GLY A 75 -4.110 -15.188 -17.392 1.00 25.23 C ATOM 1191 C GLY A 75 -3.340 -15.091 -16.089 1.00 62.55 C ATOM 1192 O GLY A 75 -3.569 -14.183 -15.291 1.00 43.12 O ATOM 0 H GLY A 75 -5.305 -13.557 -16.842 1.00 4.14 H new ATOM 0 HA2 GLY A 75 -4.773 -16.052 -17.355 1.00 25.23 H new ATOM 0 HA3 GLY A 75 -3.411 -15.357 -18.212 1.00 25.23 H new ATOM 1196 N SER A 76 -2.425 -16.032 -15.873 1.00 54.41 N ATOM 1197 CA SER A 76 -1.623 -16.052 -14.656 1.00 0.23 C ATOM 1198 C SER A 76 -0.142 -16.215 -14.984 1.00 20.11 C ATOM 1199 O SER A 76 0.220 -16.862 -15.967 1.00 33.14 O ATOM 1200 CB SER A 76 -2.081 -17.185 -13.736 1.00 73.43 C ATOM 1201 OG SER A 76 -1.262 -17.269 -12.583 1.00 33.41 O ATOM 0 H SER A 76 -2.221 -16.790 -16.525 1.00 54.41 H new ATOM 0 HA SER A 76 -1.761 -15.100 -14.144 1.00 0.23 H new ATOM 0 HB2 SER A 76 -3.117 -17.020 -13.439 1.00 73.43 H new ATOM 0 HB3 SER A 76 -2.051 -18.131 -14.277 1.00 73.43 H new ATOM 0 HG SER A 76 -1.577 -18.000 -12.011 1.00 33.41 H new ATOM 1207 N SER A 77 0.710 -15.623 -14.153 1.00 65.42 N ATOM 1208 CA SER A 77 2.153 -15.699 -14.356 1.00 35.10 C ATOM 1209 C SER A 77 2.901 -15.278 -13.095 1.00 42.32 C ATOM 1210 O SER A 77 2.374 -14.539 -12.263 1.00 31.41 O ATOM 1211 CB SER A 77 2.571 -14.814 -15.531 1.00 52.43 C ATOM 1212 OG SER A 77 2.928 -13.515 -15.090 1.00 30.22 O ATOM 0 H SER A 77 0.427 -15.086 -13.333 1.00 65.42 H new ATOM 0 HA SER A 77 2.410 -16.734 -14.581 1.00 35.10 H new ATOM 0 HB2 SER A 77 3.414 -15.269 -16.051 1.00 52.43 H new ATOM 0 HB3 SER A 77 1.753 -14.746 -16.248 1.00 52.43 H new ATOM 0 HG SER A 77 3.193 -12.969 -15.860 1.00 30.22 H new ATOM 1218 N LYS A 78 4.135 -15.752 -12.961 1.00 31.51 N ATOM 1219 CA LYS A 78 4.959 -15.426 -11.803 1.00 43.45 C ATOM 1220 C LYS A 78 5.022 -13.917 -11.589 1.00 44.21 C ATOM 1221 O LYS A 78 4.995 -13.441 -10.455 1.00 12.13 O ATOM 1222 CB LYS A 78 6.372 -15.985 -11.983 1.00 61.54 C ATOM 1223 CG LYS A 78 6.491 -17.459 -11.636 1.00 62.31 C ATOM 1224 CD LYS A 78 6.738 -17.664 -10.151 1.00 35.22 C ATOM 1225 CE LYS A 78 8.195 -17.425 -9.789 1.00 45.24 C ATOM 1226 NZ LYS A 78 8.502 -17.864 -8.400 1.00 32.11 N ATOM 0 H LYS A 78 4.587 -16.364 -13.641 1.00 31.51 H new ATOM 0 HA LYS A 78 4.504 -15.882 -10.924 1.00 43.45 H new ATOM 0 HB2 LYS A 78 6.683 -15.837 -13.017 1.00 61.54 H new ATOM 0 HB3 LYS A 78 7.061 -15.416 -11.359 1.00 61.54 H new ATOM 0 HG2 LYS A 78 5.578 -17.978 -11.929 1.00 62.31 H new ATOM 0 HG3 LYS A 78 7.307 -17.903 -12.206 1.00 62.31 H new ATOM 0 HD2 LYS A 78 6.104 -16.986 -9.579 1.00 35.22 H new ATOM 0 HD3 LYS A 78 6.454 -18.678 -9.871 1.00 35.22 H new ATOM 0 HE2 LYS A 78 8.836 -17.961 -10.489 1.00 45.24 H new ATOM 0 HE3 LYS A 78 8.426 -16.365 -9.894 1.00 45.24 H new ATOM 0 HZ1 LYS A 78 9.505 -17.684 -8.193 1.00 32.11 H new ATOM 0 HZ2 LYS A 78 7.909 -17.334 -7.729 1.00 32.11 H new ATOM 0 HZ3 LYS A 78 8.306 -18.881 -8.306 1.00 32.11 H new ATOM 1240 N GLU A 79 5.106 -13.171 -12.686 1.00 53.41 N ATOM 1241 CA GLU A 79 5.172 -11.716 -12.616 1.00 51.43 C ATOM 1242 C GLU A 79 3.877 -11.138 -12.053 1.00 35.53 C ATOM 1243 O GLU A 79 3.900 -10.266 -11.184 1.00 33.11 O ATOM 1244 CB GLU A 79 5.444 -11.128 -14.003 1.00 21.14 C ATOM 1245 CG GLU A 79 6.871 -11.335 -14.482 1.00 1.32 C ATOM 1246 CD GLU A 79 7.605 -10.027 -14.709 1.00 62.52 C ATOM 1247 OE1 GLU A 79 7.440 -9.435 -15.796 1.00 24.01 O ATOM 1248 OE2 GLU A 79 8.345 -9.597 -13.799 1.00 74.03 O ATOM 0 H GLU A 79 5.130 -13.550 -13.633 1.00 53.41 H new ATOM 0 HA GLU A 79 5.990 -11.448 -11.948 1.00 51.43 H new ATOM 0 HB2 GLU A 79 4.759 -11.580 -14.721 1.00 21.14 H new ATOM 0 HB3 GLU A 79 5.227 -10.060 -13.985 1.00 21.14 H new ATOM 0 HG2 GLU A 79 7.414 -11.930 -13.748 1.00 1.32 H new ATOM 0 HG3 GLU A 79 6.860 -11.907 -15.410 1.00 1.32 H new ATOM 1255 N ILE A 80 2.749 -11.631 -12.554 1.00 30.42 N ATOM 1256 CA ILE A 80 1.444 -11.166 -12.101 1.00 3.45 C ATOM 1257 C ILE A 80 1.207 -11.531 -10.639 1.00 64.01 C ATOM 1258 O ILE A 80 0.947 -10.663 -9.806 1.00 13.01 O ATOM 1259 CB ILE A 80 0.308 -11.755 -12.956 1.00 75.22 C ATOM 1260 CG1 ILE A 80 0.498 -11.377 -14.427 1.00 21.54 C ATOM 1261 CG2 ILE A 80 -1.043 -11.270 -12.450 1.00 23.32 C ATOM 1262 CD1 ILE A 80 0.553 -9.885 -14.665 1.00 3.32 C ATOM 0 H ILE A 80 2.713 -12.353 -13.274 1.00 30.42 H new ATOM 0 HA ILE A 80 1.442 -10.081 -12.207 1.00 3.45 H new ATOM 0 HB ILE A 80 0.337 -12.841 -12.872 1.00 75.22 H new ATOM 0 HG12 ILE A 80 1.419 -11.829 -14.794 1.00 21.54 H new ATOM 0 HG13 ILE A 80 -0.319 -11.800 -15.011 1.00 21.54 H new ATOM 0 HG21 ILE A 80 -1.836 -11.695 -13.065 1.00 23.32 H new ATOM 0 HG22 ILE A 80 -1.178 -11.585 -11.415 1.00 23.32 H new ATOM 0 HG23 ILE A 80 -1.084 -10.182 -12.507 1.00 23.32 H new ATOM 0 HD11 ILE A 80 0.689 -9.691 -15.729 1.00 3.32 H new ATOM 0 HD12 ILE A 80 -0.378 -9.428 -14.329 1.00 3.32 H new ATOM 0 HD13 ILE A 80 1.388 -9.458 -14.109 1.00 3.32 H new ATOM 1274 N ASP A 81 1.302 -12.821 -10.335 1.00 14.31 N ATOM 1275 CA ASP A 81 1.101 -13.302 -8.973 1.00 15.30 C ATOM 1276 C ASP A 81 1.974 -12.529 -7.989 1.00 53.03 C ATOM 1277 O ASP A 81 1.579 -12.291 -6.848 1.00 51.14 O ATOM 1278 CB ASP A 81 1.413 -14.796 -8.886 1.00 34.40 C ATOM 1279 CG ASP A 81 0.435 -15.639 -9.681 1.00 71.31 C ATOM 1280 OD1 ASP A 81 -0.748 -15.249 -9.772 1.00 32.23 O ATOM 1281 OD2 ASP A 81 0.853 -16.688 -10.213 1.00 60.44 O ATOM 0 H ASP A 81 1.517 -13.552 -11.013 1.00 14.31 H new ATOM 0 HA ASP A 81 0.056 -13.141 -8.708 1.00 15.30 H new ATOM 0 HB2 ASP A 81 2.424 -14.975 -9.252 1.00 34.40 H new ATOM 0 HB3 ASP A 81 1.392 -15.108 -7.842 1.00 34.40 H new ATOM 1286 N MET A 82 3.162 -12.141 -8.439 1.00 65.15 N ATOM 1287 CA MET A 82 4.091 -11.395 -7.599 1.00 25.25 C ATOM 1288 C MET A 82 3.580 -9.981 -7.345 1.00 15.13 C ATOM 1289 O MET A 82 3.508 -9.533 -6.201 1.00 5.41 O ATOM 1290 CB MET A 82 5.473 -11.340 -8.253 1.00 24.24 C ATOM 1291 CG MET A 82 6.382 -12.491 -7.852 1.00 32.23 C ATOM 1292 SD MET A 82 7.899 -12.550 -8.825 1.00 34.32 S ATOM 1293 CE MET A 82 8.675 -14.017 -8.152 1.00 64.30 C ATOM 0 H MET A 82 3.504 -12.331 -9.381 1.00 65.15 H new ATOM 0 HA MET A 82 4.170 -11.911 -6.642 1.00 25.25 H new ATOM 0 HB2 MET A 82 5.353 -11.343 -9.336 1.00 24.24 H new ATOM 0 HB3 MET A 82 5.954 -10.399 -7.988 1.00 24.24 H new ATOM 0 HG2 MET A 82 6.636 -12.397 -6.796 1.00 32.23 H new ATOM 0 HG3 MET A 82 5.844 -13.432 -7.968 1.00 32.23 H new ATOM 0 HE1 MET A 82 9.564 -14.259 -8.735 1.00 64.30 H new ATOM 0 HE2 MET A 82 8.960 -13.835 -7.116 1.00 64.30 H new ATOM 0 HE3 MET A 82 7.975 -14.851 -8.195 1.00 64.30 H new ATOM 1303 N ALA A 83 3.224 -9.283 -8.419 1.00 24.33 N ATOM 1304 CA ALA A 83 2.718 -7.921 -8.311 1.00 54.24 C ATOM 1305 C ALA A 83 1.559 -7.842 -7.323 1.00 21.31 C ATOM 1306 O ALA A 83 1.388 -6.838 -6.632 1.00 12.32 O ATOM 1307 CB ALA A 83 2.284 -7.410 -9.677 1.00 40.14 C ATOM 0 H ALA A 83 3.277 -9.639 -9.373 1.00 24.33 H new ATOM 0 HA ALA A 83 3.524 -7.289 -7.937 1.00 54.24 H new ATOM 0 HB1 ALA A 83 1.908 -6.391 -9.582 1.00 40.14 H new ATOM 0 HB2 ALA A 83 3.136 -7.420 -10.357 1.00 40.14 H new ATOM 0 HB3 ALA A 83 1.497 -8.052 -10.072 1.00 40.14 H new ATOM 1313 N ILE A 84 0.767 -8.907 -7.262 1.00 14.03 N ATOM 1314 CA ILE A 84 -0.375 -8.958 -6.357 1.00 54.43 C ATOM 1315 C ILE A 84 0.076 -9.127 -4.911 1.00 2.24 C ATOM 1316 O ILE A 84 -0.140 -8.249 -4.075 1.00 20.33 O ATOM 1317 CB ILE A 84 -1.332 -10.108 -6.722 1.00 52.14 C ATOM 1318 CG1 ILE A 84 -1.833 -9.947 -8.159 1.00 64.44 C ATOM 1319 CG2 ILE A 84 -2.502 -10.153 -5.750 1.00 43.24 C ATOM 1320 CD1 ILE A 84 -2.670 -8.706 -8.373 1.00 4.44 C ATOM 0 H ILE A 84 0.895 -9.746 -7.828 1.00 14.03 H new ATOM 0 HA ILE A 84 -0.903 -8.010 -6.462 1.00 54.43 H new ATOM 0 HB ILE A 84 -0.788 -11.050 -6.650 1.00 52.14 H new ATOM 0 HG12 ILE A 84 -0.976 -9.918 -8.832 1.00 64.44 H new ATOM 0 HG13 ILE A 84 -2.422 -10.823 -8.430 1.00 64.44 H new ATOM 0 HG21 ILE A 84 -3.169 -10.971 -6.021 1.00 43.24 H new ATOM 0 HG22 ILE A 84 -2.129 -10.310 -4.738 1.00 43.24 H new ATOM 0 HG23 ILE A 84 -3.047 -9.210 -5.793 1.00 43.24 H new ATOM 0 HD11 ILE A 84 -2.990 -8.658 -9.414 1.00 4.44 H new ATOM 0 HD12 ILE A 84 -3.546 -8.742 -7.725 1.00 4.44 H new ATOM 0 HD13 ILE A 84 -2.078 -7.822 -8.134 1.00 4.44 H new ATOM 1332 N VAL A 85 0.707 -10.261 -4.622 1.00 14.00 N ATOM 1333 CA VAL A 85 1.192 -10.545 -3.277 1.00 1.22 C ATOM 1334 C VAL A 85 2.041 -9.395 -2.745 1.00 32.41 C ATOM 1335 O VAL A 85 2.031 -9.103 -1.549 1.00 11.52 O ATOM 1336 CB VAL A 85 2.023 -11.841 -3.242 1.00 23.11 C ATOM 1337 CG1 VAL A 85 1.168 -13.035 -3.639 1.00 1.22 C ATOM 1338 CG2 VAL A 85 3.238 -11.719 -4.150 1.00 33.41 C ATOM 0 H VAL A 85 0.894 -10.998 -5.302 1.00 14.00 H new ATOM 0 HA VAL A 85 0.314 -10.668 -2.643 1.00 1.22 H new ATOM 0 HB VAL A 85 2.374 -12.000 -2.222 1.00 23.11 H new ATOM 0 HG11 VAL A 85 1.772 -13.942 -3.608 1.00 1.22 H new ATOM 0 HG12 VAL A 85 0.333 -13.132 -2.945 1.00 1.22 H new ATOM 0 HG13 VAL A 85 0.785 -12.888 -4.649 1.00 1.22 H new ATOM 0 HG21 VAL A 85 3.814 -12.644 -4.113 1.00 33.41 H new ATOM 0 HG22 VAL A 85 2.910 -11.536 -5.173 1.00 33.41 H new ATOM 0 HG23 VAL A 85 3.861 -10.890 -3.815 1.00 33.41 H new ATOM 1348 N THR A 86 2.776 -8.745 -3.642 1.00 32.21 N ATOM 1349 CA THR A 86 3.631 -7.628 -3.264 1.00 4.33 C ATOM 1350 C THR A 86 2.803 -6.413 -2.861 1.00 2.01 C ATOM 1351 O THR A 86 3.065 -5.782 -1.836 1.00 23.22 O ATOM 1352 CB THR A 86 4.578 -7.231 -4.412 1.00 63.31 C ATOM 1353 OG1 THR A 86 3.829 -7.020 -5.614 1.00 62.41 O ATOM 1354 CG2 THR A 86 5.627 -8.308 -4.645 1.00 23.24 C ATOM 0 H THR A 86 2.796 -8.974 -4.636 1.00 32.21 H new ATOM 0 HA THR A 86 4.224 -7.959 -2.412 1.00 4.33 H new ATOM 0 HB THR A 86 5.084 -6.307 -4.133 1.00 63.31 H new ATOM 0 HG1 THR A 86 3.844 -7.836 -6.156 1.00 62.41 H new ATOM 0 HG21 THR A 86 6.284 -8.005 -5.460 1.00 23.24 H new ATOM 0 HG22 THR A 86 6.215 -8.446 -3.737 1.00 23.24 H new ATOM 0 HG23 THR A 86 5.135 -9.245 -4.905 1.00 23.24 H new ATOM 1362 N LEU A 87 1.802 -6.090 -3.672 1.00 44.24 N ATOM 1363 CA LEU A 87 0.934 -4.950 -3.400 1.00 10.32 C ATOM 1364 C LEU A 87 0.289 -5.073 -2.023 1.00 72.52 C ATOM 1365 O LEU A 87 0.102 -4.079 -1.321 1.00 75.35 O ATOM 1366 CB LEU A 87 -0.149 -4.839 -4.475 1.00 25.50 C ATOM 1367 CG LEU A 87 -0.141 -3.556 -5.306 1.00 12.23 C ATOM 1368 CD1 LEU A 87 -0.588 -2.372 -4.463 1.00 13.24 C ATOM 1369 CD2 LEU A 87 1.242 -3.306 -5.889 1.00 1.34 C ATOM 0 H LEU A 87 1.571 -6.602 -4.524 1.00 44.24 H new ATOM 0 HA LEU A 87 1.546 -4.048 -3.415 1.00 10.32 H new ATOM 0 HB2 LEU A 87 -0.049 -5.687 -5.152 1.00 25.50 H new ATOM 0 HB3 LEU A 87 -1.122 -4.930 -3.993 1.00 25.50 H new ATOM 0 HG LEU A 87 -0.844 -3.675 -6.130 1.00 12.23 H new ATOM 0 HD11 LEU A 87 -0.576 -1.467 -5.071 1.00 13.24 H new ATOM 0 HD12 LEU A 87 -1.599 -2.548 -4.095 1.00 13.24 H new ATOM 0 HD13 LEU A 87 0.090 -2.250 -3.618 1.00 13.24 H new ATOM 0 HD21 LEU A 87 1.228 -2.389 -6.477 1.00 1.34 H new ATOM 0 HD22 LEU A 87 1.966 -3.207 -5.080 1.00 1.34 H new ATOM 0 HD23 LEU A 87 1.524 -4.143 -6.528 1.00 1.34 H new ATOM 1381 N LYS A 88 -0.048 -6.301 -1.641 1.00 42.25 N ATOM 1382 CA LYS A 88 -0.669 -6.557 -0.347 1.00 42.14 C ATOM 1383 C LYS A 88 0.341 -6.387 0.784 1.00 74.34 C ATOM 1384 O LYS A 88 0.195 -5.508 1.632 1.00 11.44 O ATOM 1385 CB LYS A 88 -1.258 -7.969 -0.312 1.00 11.22 C ATOM 1386 CG LYS A 88 -2.744 -8.016 -0.623 1.00 50.31 C ATOM 1387 CD LYS A 88 -3.000 -8.442 -2.059 1.00 43.10 C ATOM 1388 CE LYS A 88 -4.481 -8.671 -2.317 1.00 70.20 C ATOM 1389 NZ LYS A 88 -4.711 -9.485 -3.543 1.00 31.24 N ATOM 0 H LYS A 88 0.099 -7.135 -2.210 1.00 42.25 H new ATOM 0 HA LYS A 88 -1.471 -5.832 -0.206 1.00 42.14 H new ATOM 0 HB2 LYS A 88 -0.725 -8.594 -1.029 1.00 11.22 H new ATOM 0 HB3 LYS A 88 -1.088 -8.400 0.675 1.00 11.22 H new ATOM 0 HG2 LYS A 88 -3.237 -8.711 0.057 1.00 50.31 H new ATOM 0 HG3 LYS A 88 -3.184 -7.034 -0.450 1.00 50.31 H new ATOM 0 HD2 LYS A 88 -2.625 -7.677 -2.739 1.00 43.10 H new ATOM 0 HD3 LYS A 88 -2.447 -9.357 -2.272 1.00 43.10 H new ATOM 0 HE2 LYS A 88 -4.926 -9.174 -1.458 1.00 70.20 H new ATOM 0 HE3 LYS A 88 -4.985 -7.710 -2.419 1.00 70.20 H new ATOM 0 HZ1 LYS A 88 -5.669 -9.889 -3.517 1.00 31.24 H new ATOM 0 HZ2 LYS A 88 -4.612 -8.881 -4.384 1.00 31.24 H new ATOM 0 HZ3 LYS A 88 -4.012 -10.254 -3.585 1.00 31.24 H new ATOM 1403 N VAL A 89 1.365 -7.234 0.788 1.00 21.24 N ATOM 1404 CA VAL A 89 2.400 -7.176 1.814 1.00 62.15 C ATOM 1405 C VAL A 89 2.974 -5.769 1.936 1.00 11.01 C ATOM 1406 O VAL A 89 3.363 -5.338 3.022 1.00 53.22 O ATOM 1407 CB VAL A 89 3.545 -8.161 1.511 1.00 3.04 C ATOM 1408 CG1 VAL A 89 4.247 -7.783 0.215 1.00 35.54 C ATOM 1409 CG2 VAL A 89 4.532 -8.202 2.669 1.00 53.33 C ATOM 0 H VAL A 89 1.500 -7.968 0.093 1.00 21.24 H new ATOM 0 HA VAL A 89 1.929 -7.456 2.756 1.00 62.15 H new ATOM 0 HB VAL A 89 3.121 -9.158 1.389 1.00 3.04 H new ATOM 0 HG11 VAL A 89 5.053 -8.490 0.018 1.00 35.54 H new ATOM 0 HG12 VAL A 89 3.532 -7.809 -0.607 1.00 35.54 H new ATOM 0 HG13 VAL A 89 4.660 -6.778 0.305 1.00 35.54 H new ATOM 0 HG21 VAL A 89 5.334 -8.903 2.438 1.00 53.33 H new ATOM 0 HG22 VAL A 89 4.952 -7.208 2.825 1.00 53.33 H new ATOM 0 HG23 VAL A 89 4.018 -8.525 3.574 1.00 53.33 H new ATOM 1419 N PHE A 90 3.024 -5.057 0.815 1.00 14.54 N ATOM 1420 CA PHE A 90 3.550 -3.697 0.797 1.00 45.14 C ATOM 1421 C PHE A 90 2.592 -2.733 1.490 1.00 4.30 C ATOM 1422 O PHE A 90 3.015 -1.853 2.240 1.00 31.30 O ATOM 1423 CB PHE A 90 3.796 -3.242 -0.644 1.00 32.23 C ATOM 1424 CG PHE A 90 4.114 -1.779 -0.764 1.00 71.35 C ATOM 1425 CD1 PHE A 90 5.021 -1.181 0.095 1.00 45.03 C ATOM 1426 CD2 PHE A 90 3.506 -1.003 -1.737 1.00 51.45 C ATOM 1427 CE1 PHE A 90 5.315 0.165 -0.014 1.00 3.11 C ATOM 1428 CE2 PHE A 90 3.796 0.344 -1.851 1.00 41.02 C ATOM 1429 CZ PHE A 90 4.703 0.928 -0.989 1.00 11.32 C ATOM 0 H PHE A 90 2.707 -5.399 -0.092 1.00 14.54 H new ATOM 0 HA PHE A 90 4.496 -3.693 1.339 1.00 45.14 H new ATOM 0 HB2 PHE A 90 4.619 -3.820 -1.064 1.00 32.23 H new ATOM 0 HB3 PHE A 90 2.913 -3.464 -1.243 1.00 32.23 H new ATOM 0 HD1 PHE A 90 5.504 -1.773 0.858 1.00 45.03 H new ATOM 0 HD2 PHE A 90 2.797 -1.455 -2.415 1.00 51.45 H new ATOM 0 HE1 PHE A 90 6.023 0.620 0.663 1.00 3.11 H new ATOM 0 HE2 PHE A 90 3.314 0.938 -2.613 1.00 41.02 H new ATOM 0 HZ PHE A 90 4.933 1.979 -1.077 1.00 11.32 H new ATOM 1439 N ALA A 91 1.300 -2.905 1.233 1.00 50.13 N ATOM 1440 CA ALA A 91 0.281 -2.052 1.832 1.00 4.05 C ATOM 1441 C ALA A 91 0.214 -2.255 3.342 1.00 24.52 C ATOM 1442 O ALA A 91 0.044 -1.301 4.101 1.00 53.25 O ATOM 1443 CB ALA A 91 -1.075 -2.326 1.200 1.00 12.33 C ATOM 0 H ALA A 91 0.934 -3.628 0.614 1.00 50.13 H new ATOM 0 HA ALA A 91 0.554 -1.014 1.643 1.00 4.05 H new ATOM 0 HB1 ALA A 91 -1.826 -1.682 1.657 1.00 12.33 H new ATOM 0 HB2 ALA A 91 -1.025 -2.123 0.130 1.00 12.33 H new ATOM 0 HB3 ALA A 91 -1.346 -3.370 1.359 1.00 12.33 H new ATOM 1449 N VAL A 92 0.349 -3.506 3.773 1.00 41.12 N ATOM 1450 CA VAL A 92 0.304 -3.835 5.193 1.00 42.54 C ATOM 1451 C VAL A 92 1.633 -3.522 5.871 1.00 21.23 C ATOM 1452 O VAL A 92 1.700 -2.688 6.773 1.00 10.42 O ATOM 1453 CB VAL A 92 -0.036 -5.320 5.414 1.00 32.32 C ATOM 1454 CG1 VAL A 92 -0.243 -5.606 6.894 1.00 53.22 C ATOM 1455 CG2 VAL A 92 -1.267 -5.710 4.610 1.00 33.11 C ATOM 0 H VAL A 92 0.490 -4.308 3.159 1.00 41.12 H new ATOM 0 HA VAL A 92 -0.480 -3.221 5.636 1.00 42.54 H new ATOM 0 HB VAL A 92 0.803 -5.923 5.066 1.00 32.32 H new ATOM 0 HG11 VAL A 92 -0.482 -6.661 7.031 1.00 53.22 H new ATOM 0 HG12 VAL A 92 0.669 -5.367 7.442 1.00 53.22 H new ATOM 0 HG13 VAL A 92 -1.064 -4.996 7.271 1.00 53.22 H new ATOM 0 HG21 VAL A 92 -1.493 -6.763 4.778 1.00 33.11 H new ATOM 0 HG22 VAL A 92 -2.115 -5.102 4.925 1.00 33.11 H new ATOM 0 HG23 VAL A 92 -1.076 -5.545 3.550 1.00 33.11 H new ATOM 1465 N ALA A 93 2.689 -4.198 5.431 1.00 44.11 N ATOM 1466 CA ALA A 93 4.018 -3.991 5.994 1.00 12.30 C ATOM 1467 C ALA A 93 4.482 -2.552 5.791 1.00 32.33 C ATOM 1468 O ALA A 93 5.405 -2.088 6.459 1.00 53.41 O ATOM 1469 CB ALA A 93 5.012 -4.961 5.372 1.00 14.43 C ATOM 0 H ALA A 93 2.650 -4.894 4.686 1.00 44.11 H new ATOM 0 HA ALA A 93 3.965 -4.180 7.066 1.00 12.30 H new ATOM 0 HB1 ALA A 93 6.000 -4.795 5.802 1.00 14.43 H new ATOM 0 HB2 ALA A 93 4.696 -5.985 5.573 1.00 14.43 H new ATOM 0 HB3 ALA A 93 5.053 -4.799 4.295 1.00 14.43 H new ATOM 1475 N GLY A 94 3.836 -1.852 4.864 1.00 15.21 N ATOM 1476 CA GLY A 94 4.197 -0.473 4.590 1.00 62.44 C ATOM 1477 C GLY A 94 3.322 0.515 5.334 1.00 75.02 C ATOM 1478 O GLY A 94 3.773 1.171 6.273 1.00 1.43 O ATOM 0 H GLY A 94 3.069 -2.215 4.298 1.00 15.21 H new ATOM 0 HA2 GLY A 94 5.239 -0.312 4.868 1.00 62.44 H new ATOM 0 HA3 GLY A 94 4.120 -0.287 3.519 1.00 62.44 H new ATOM 1482 N LEU A 95 2.066 0.624 4.914 1.00 60.34 N ATOM 1483 CA LEU A 95 1.124 1.541 5.546 1.00 43.10 C ATOM 1484 C LEU A 95 0.924 1.188 7.016 1.00 31.12 C ATOM 1485 O LEU A 95 0.973 2.058 7.887 1.00 24.52 O ATOM 1486 CB LEU A 95 -0.219 1.509 4.814 1.00 4.13 C ATOM 1487 CG LEU A 95 -0.152 1.538 3.287 1.00 43.10 C ATOM 1488 CD1 LEU A 95 -1.551 1.534 2.691 1.00 1.32 C ATOM 1489 CD2 LEU A 95 0.630 2.754 2.810 1.00 35.14 C ATOM 0 H LEU A 95 1.677 0.088 4.138 1.00 60.34 H new ATOM 0 HA LEU A 95 1.539 2.547 5.486 1.00 43.10 H new ATOM 0 HB2 LEU A 95 -0.754 0.609 5.117 1.00 4.13 H new ATOM 0 HB3 LEU A 95 -0.812 2.360 5.148 1.00 4.13 H new ATOM 0 HG LEU A 95 0.367 0.641 2.948 1.00 43.10 H new ATOM 0 HD11 LEU A 95 -1.483 1.555 1.603 1.00 1.32 H new ATOM 0 HD12 LEU A 95 -2.077 0.633 3.005 1.00 1.32 H new ATOM 0 HD13 LEU A 95 -2.097 2.412 3.037 1.00 1.32 H new ATOM 0 HD21 LEU A 95 0.667 2.758 1.721 1.00 35.14 H new ATOM 0 HD22 LEU A 95 0.139 3.662 3.160 1.00 35.14 H new ATOM 0 HD23 LEU A 95 1.644 2.713 3.208 1.00 35.14 H new ATOM 1501 N LEU A 96 0.700 -0.093 7.286 1.00 34.41 N ATOM 1502 CA LEU A 96 0.494 -0.563 8.652 1.00 50.01 C ATOM 1503 C LEU A 96 1.828 -0.802 9.352 1.00 12.32 C ATOM 1504 O LEU A 96 1.867 -1.219 10.509 1.00 72.13 O ATOM 1505 CB LEU A 96 -0.332 -1.850 8.651 1.00 60.54 C ATOM 1506 CG LEU A 96 -1.404 -1.961 9.735 1.00 74.11 C ATOM 1507 CD1 LEU A 96 -2.745 -2.336 9.123 1.00 14.32 C ATOM 1508 CD2 LEU A 96 -0.994 -2.979 10.789 1.00 0.11 C ATOM 0 H LEU A 96 0.656 -0.825 6.577 1.00 34.41 H new ATOM 0 HA LEU A 96 -0.049 0.209 9.197 1.00 50.01 H new ATOM 0 HB2 LEU A 96 -0.816 -1.947 7.679 1.00 60.54 H new ATOM 0 HB3 LEU A 96 0.349 -2.695 8.754 1.00 60.54 H new ATOM 0 HG LEU A 96 -1.507 -0.989 10.218 1.00 74.11 H new ATOM 0 HD11 LEU A 96 -3.496 -2.410 9.910 1.00 14.32 H new ATOM 0 HD12 LEU A 96 -3.045 -1.571 8.407 1.00 14.32 H new ATOM 0 HD13 LEU A 96 -2.657 -3.296 8.614 1.00 14.32 H new ATOM 0 HD21 LEU A 96 -1.769 -3.045 11.552 1.00 0.11 H new ATOM 0 HD22 LEU A 96 -0.862 -3.955 10.321 1.00 0.11 H new ATOM 0 HD23 LEU A 96 -0.056 -2.668 11.250 1.00 0.11 H new ATOM 1520 N ASN A 97 2.919 -0.532 8.643 1.00 2.33 N ATOM 1521 CA ASN A 97 4.256 -0.716 9.198 1.00 54.44 C ATOM 1522 C ASN A 97 4.414 -2.116 9.783 1.00 53.40 C ATOM 1523 O ASN A 97 5.171 -2.321 10.731 1.00 14.23 O ATOM 1524 CB ASN A 97 4.532 0.334 10.276 1.00 41.34 C ATOM 1525 CG ASN A 97 4.559 1.744 9.717 1.00 74.25 C ATOM 1526 OD1 ASN A 97 3.810 2.614 10.161 1.00 74.11 O ATOM 1527 ND2 ASN A 97 5.424 1.975 8.736 1.00 0.12 N ATOM 0 H ASN A 97 2.904 -0.185 7.684 1.00 2.33 H new ATOM 0 HA ASN A 97 4.978 -0.596 8.390 1.00 54.44 H new ATOM 0 HB2 ASN A 97 3.766 0.267 11.049 1.00 41.34 H new ATOM 0 HB3 ASN A 97 5.487 0.117 10.754 1.00 41.34 H new ATOM 0 HD21 ASN A 97 5.487 2.904 8.319 1.00 0.12 H new ATOM 0 HD22 ASN A 97 6.026 1.223 8.399 1.00 0.12 H new ATOM 1534 N MET A 98 3.694 -3.075 9.210 1.00 24.23 N ATOM 1535 CA MET A 98 3.756 -4.456 9.674 1.00 25.42 C ATOM 1536 C MET A 98 4.990 -5.162 9.119 1.00 52.50 C ATOM 1537 O MET A 98 5.828 -4.544 8.462 1.00 43.33 O ATOM 1538 CB MET A 98 2.493 -5.213 9.261 1.00 73.02 C ATOM 1539 CG MET A 98 1.784 -5.893 10.421 1.00 4.13 C ATOM 1540 SD MET A 98 0.813 -7.321 9.902 1.00 43.40 S ATOM 1541 CE MET A 98 1.111 -8.446 11.264 1.00 53.35 C ATOM 0 H MET A 98 3.062 -2.921 8.425 1.00 24.23 H new ATOM 0 HA MET A 98 3.824 -4.444 10.762 1.00 25.42 H new ATOM 0 HB2 MET A 98 1.803 -4.518 8.782 1.00 73.02 H new ATOM 0 HB3 MET A 98 2.757 -5.964 8.517 1.00 73.02 H new ATOM 0 HG2 MET A 98 2.522 -6.209 11.158 1.00 4.13 H new ATOM 0 HG3 MET A 98 1.130 -5.174 10.914 1.00 4.13 H new ATOM 0 HE1 MET A 98 0.575 -9.379 11.089 1.00 53.35 H new ATOM 0 HE2 MET A 98 2.179 -8.650 11.341 1.00 53.35 H new ATOM 0 HE3 MET A 98 0.760 -7.995 12.192 1.00 53.35 H new ATOM 1551 N THR A 99 5.095 -6.459 9.387 1.00 24.44 N ATOM 1552 CA THR A 99 6.227 -7.248 8.916 1.00 12.21 C ATOM 1553 C THR A 99 5.895 -8.736 8.909 1.00 3.32 C ATOM 1554 O THR A 99 6.439 -9.507 9.700 1.00 44.05 O ATOM 1555 CB THR A 99 7.475 -7.016 9.788 1.00 44.33 C ATOM 1556 OG1 THR A 99 7.087 -6.763 11.143 1.00 51.14 O ATOM 1557 CG2 THR A 99 8.292 -5.845 9.262 1.00 2.12 C ATOM 0 H THR A 99 4.410 -6.986 9.928 1.00 24.44 H new ATOM 0 HA THR A 99 6.439 -6.921 7.898 1.00 12.21 H new ATOM 0 HB THR A 99 8.090 -7.915 9.749 1.00 44.33 H new ATOM 0 HG1 THR A 99 7.887 -6.618 11.691 1.00 51.14 H new ATOM 0 HG21 THR A 99 9.168 -5.700 9.894 1.00 2.12 H new ATOM 0 HG22 THR A 99 8.611 -6.054 8.241 1.00 2.12 H new ATOM 0 HG23 THR A 99 7.682 -4.941 9.274 1.00 2.12 H new ATOM 1565 N VAL A 100 4.999 -9.134 8.011 1.00 4.43 N ATOM 1566 CA VAL A 100 4.597 -10.530 7.900 1.00 33.53 C ATOM 1567 C VAL A 100 5.797 -11.428 7.619 1.00 54.35 C ATOM 1568 O VAL A 100 6.871 -10.949 7.257 1.00 4.11 O ATOM 1569 CB VAL A 100 3.550 -10.726 6.787 1.00 65.21 C ATOM 1570 CG1 VAL A 100 2.197 -10.189 7.226 1.00 52.25 C ATOM 1571 CG2 VAL A 100 4.009 -10.054 5.501 1.00 21.35 C ATOM 0 H VAL A 100 4.538 -8.509 7.350 1.00 4.43 H new ATOM 0 HA VAL A 100 4.156 -10.809 8.857 1.00 33.53 H new ATOM 0 HB VAL A 100 3.444 -11.794 6.595 1.00 65.21 H new ATOM 0 HG11 VAL A 100 1.470 -10.336 6.427 1.00 52.25 H new ATOM 0 HG12 VAL A 100 1.867 -10.720 8.119 1.00 52.25 H new ATOM 0 HG13 VAL A 100 2.282 -9.125 7.447 1.00 52.25 H new ATOM 0 HG21 VAL A 100 3.258 -10.202 4.725 1.00 21.35 H new ATOM 0 HG22 VAL A 100 4.144 -8.987 5.676 1.00 21.35 H new ATOM 0 HG23 VAL A 100 4.954 -10.491 5.179 1.00 21.35 H new ATOM 1581 N SER A 101 5.605 -12.732 7.786 1.00 63.30 N ATOM 1582 CA SER A 101 6.673 -13.698 7.553 1.00 41.42 C ATOM 1583 C SER A 101 6.652 -14.193 6.110 1.00 33.41 C ATOM 1584 O SER A 101 7.676 -14.611 5.569 1.00 60.13 O ATOM 1585 CB SER A 101 6.538 -14.881 8.513 1.00 61.12 C ATOM 1586 OG SER A 101 6.232 -14.441 9.825 1.00 60.33 O ATOM 0 H SER A 101 4.720 -13.145 8.082 1.00 63.30 H new ATOM 0 HA SER A 101 7.626 -13.200 7.734 1.00 41.42 H new ATOM 0 HB2 SER A 101 5.756 -15.553 8.160 1.00 61.12 H new ATOM 0 HB3 SER A 101 7.467 -15.452 8.525 1.00 61.12 H new ATOM 0 HG SER A 101 6.149 -15.216 10.419 1.00 60.33 H new ATOM 1592 N THR A 102 5.476 -14.144 5.491 1.00 30.44 N ATOM 1593 CA THR A 102 5.319 -14.589 4.112 1.00 32.04 C ATOM 1594 C THR A 102 4.307 -13.725 3.368 1.00 32.52 C ATOM 1595 O THR A 102 3.349 -13.227 3.958 1.00 33.54 O ATOM 1596 CB THR A 102 4.869 -16.061 4.044 1.00 2.34 C ATOM 1597 OG1 THR A 102 3.489 -16.169 4.409 1.00 54.53 O ATOM 1598 CG2 THR A 102 5.712 -16.927 4.968 1.00 31.22 C ATOM 0 H THR A 102 4.618 -13.800 5.923 1.00 30.44 H new ATOM 0 HA THR A 102 6.295 -14.493 3.636 1.00 32.04 H new ATOM 0 HB THR A 102 5.002 -16.412 3.021 1.00 2.34 H new ATOM 0 HG1 THR A 102 3.358 -16.969 4.960 1.00 54.53 H new ATOM 0 HG21 THR A 102 5.376 -17.962 4.903 1.00 31.22 H new ATOM 0 HG22 THR A 102 6.759 -16.866 4.670 1.00 31.22 H new ATOM 0 HG23 THR A 102 5.606 -16.575 5.994 1.00 31.22 H new ATOM 1606 N ALA A 103 4.526 -13.553 2.069 1.00 54.42 N ATOM 1607 CA ALA A 103 3.630 -12.751 1.243 1.00 25.25 C ATOM 1608 C ALA A 103 2.183 -13.201 1.407 1.00 33.21 C ATOM 1609 O ALA A 103 1.264 -12.383 1.399 1.00 52.34 O ATOM 1610 CB ALA A 103 4.048 -12.830 -0.218 1.00 13.14 C ATOM 0 H ALA A 103 5.315 -13.958 1.565 1.00 54.42 H new ATOM 0 HA ALA A 103 3.700 -11.715 1.574 1.00 25.25 H new ATOM 0 HB1 ALA A 103 3.371 -12.227 -0.823 1.00 13.14 H new ATOM 0 HB2 ALA A 103 5.065 -12.453 -0.326 1.00 13.14 H new ATOM 0 HB3 ALA A 103 4.008 -13.867 -0.552 1.00 13.14 H new ATOM 1616 N ALA A 104 1.987 -14.507 1.555 1.00 20.33 N ATOM 1617 CA ALA A 104 0.651 -15.065 1.722 1.00 31.51 C ATOM 1618 C ALA A 104 -0.003 -14.551 3.000 1.00 74.11 C ATOM 1619 O ALA A 104 -1.140 -14.080 2.980 1.00 32.32 O ATOM 1620 CB ALA A 104 0.712 -16.586 1.733 1.00 14.30 C ATOM 0 H ALA A 104 2.737 -15.198 1.563 1.00 20.33 H new ATOM 0 HA ALA A 104 0.041 -14.742 0.878 1.00 31.51 H new ATOM 0 HB1 ALA A 104 -0.293 -16.990 1.858 1.00 14.30 H new ATOM 0 HB2 ALA A 104 1.130 -16.940 0.791 1.00 14.30 H new ATOM 0 HB3 ALA A 104 1.342 -16.919 2.558 1.00 14.30 H new ATOM 1626 N ALA A 105 0.722 -14.645 4.110 1.00 52.14 N ATOM 1627 CA ALA A 105 0.212 -14.188 5.396 1.00 11.33 C ATOM 1628 C ALA A 105 -0.177 -12.714 5.341 1.00 63.24 C ATOM 1629 O ALA A 105 -1.146 -12.294 5.971 1.00 34.00 O ATOM 1630 CB ALA A 105 1.246 -14.422 6.487 1.00 2.13 C ATOM 0 H ALA A 105 1.664 -15.034 4.144 1.00 52.14 H new ATOM 0 HA ALA A 105 -0.683 -14.764 5.629 1.00 11.33 H new ATOM 0 HB1 ALA A 105 0.852 -14.076 7.442 1.00 2.13 H new ATOM 0 HB2 ALA A 105 1.472 -15.486 6.552 1.00 2.13 H new ATOM 0 HB3 ALA A 105 2.156 -13.872 6.250 1.00 2.13 H new ATOM 1636 N ALA A 106 0.587 -11.934 4.583 1.00 51.13 N ATOM 1637 CA ALA A 106 0.321 -10.507 4.444 1.00 22.41 C ATOM 1638 C ALA A 106 -1.037 -10.262 3.795 1.00 64.53 C ATOM 1639 O ALA A 106 -1.877 -9.551 4.343 1.00 12.14 O ATOM 1640 CB ALA A 106 1.424 -9.842 3.634 1.00 13.51 C ATOM 0 H ALA A 106 1.395 -12.266 4.056 1.00 51.13 H new ATOM 0 HA ALA A 106 0.302 -10.067 5.441 1.00 22.41 H new ATOM 0 HB1 ALA A 106 1.213 -8.777 3.538 1.00 13.51 H new ATOM 0 HB2 ALA A 106 2.380 -9.978 4.140 1.00 13.51 H new ATOM 0 HB3 ALA A 106 1.470 -10.294 2.643 1.00 13.51 H new ATOM 1646 N GLU A 107 -1.243 -10.856 2.623 1.00 21.13 N ATOM 1647 CA GLU A 107 -2.499 -10.700 1.899 1.00 10.13 C ATOM 1648 C GLU A 107 -3.647 -11.369 2.650 1.00 3.24 C ATOM 1649 O GLU A 107 -4.784 -10.901 2.611 1.00 21.23 O ATOM 1650 CB GLU A 107 -2.380 -11.293 0.494 1.00 75.02 C ATOM 1651 CG GLU A 107 -3.701 -11.350 -0.256 1.00 43.22 C ATOM 1652 CD GLU A 107 -4.435 -12.660 -0.046 1.00 51.32 C ATOM 1653 OE1 GLU A 107 -3.778 -13.721 -0.081 1.00 74.02 O ATOM 1654 OE2 GLU A 107 -5.667 -12.623 0.154 1.00 55.35 O ATOM 0 H GLU A 107 -0.557 -11.449 2.156 1.00 21.13 H new ATOM 0 HA GLU A 107 -2.713 -9.634 1.819 1.00 10.13 H new ATOM 0 HB2 GLU A 107 -1.670 -10.700 -0.083 1.00 75.02 H new ATOM 0 HB3 GLU A 107 -1.970 -12.300 0.567 1.00 75.02 H new ATOM 0 HG2 GLU A 107 -4.336 -10.526 0.070 1.00 43.22 H new ATOM 0 HG3 GLU A 107 -3.516 -11.208 -1.321 1.00 43.22 H new ATOM 1661 N ASN A 108 -3.339 -12.467 3.333 1.00 1.32 N ATOM 1662 CA ASN A 108 -4.344 -13.201 4.093 1.00 71.54 C ATOM 1663 C ASN A 108 -4.943 -12.327 5.191 1.00 63.44 C ATOM 1664 O ASN A 108 -6.162 -12.199 5.300 1.00 23.10 O ATOM 1665 CB ASN A 108 -3.730 -14.461 4.706 1.00 23.22 C ATOM 1666 CG ASN A 108 -3.764 -15.643 3.756 1.00 11.13 C ATOM 1667 OD1 ASN A 108 -2.724 -16.194 3.395 1.00 10.24 O ATOM 1668 ND2 ASN A 108 -4.964 -16.038 3.346 1.00 0.54 N ATOM 0 H ASN A 108 -2.402 -12.868 3.376 1.00 1.32 H new ATOM 0 HA ASN A 108 -5.142 -13.490 3.408 1.00 71.54 H new ATOM 0 HB2 ASN A 108 -2.698 -14.257 4.991 1.00 23.22 H new ATOM 0 HB3 ASN A 108 -4.268 -14.717 5.619 1.00 23.22 H new ATOM 0 HD21 ASN A 108 -5.050 -16.828 2.706 1.00 0.54 H new ATOM 0 HD22 ASN A 108 -5.800 -15.552 3.671 1.00 0.54 H new ATOM 1675 N MET A 109 -4.076 -11.728 6.001 1.00 71.33 N ATOM 1676 CA MET A 109 -4.519 -10.865 7.089 1.00 14.31 C ATOM 1677 C MET A 109 -5.089 -9.557 6.548 1.00 21.11 C ATOM 1678 O MET A 109 -5.905 -8.907 7.202 1.00 73.25 O ATOM 1679 CB MET A 109 -3.359 -10.573 8.042 1.00 22.44 C ATOM 1680 CG MET A 109 -3.712 -10.772 9.508 1.00 45.34 C ATOM 1681 SD MET A 109 -4.994 -9.637 10.073 1.00 71.40 S ATOM 1682 CE MET A 109 -4.257 -8.059 9.657 1.00 55.25 C ATOM 0 H MET A 109 -3.063 -11.825 5.924 1.00 71.33 H new ATOM 0 HA MET A 109 -5.306 -11.386 7.635 1.00 14.31 H new ATOM 0 HB2 MET A 109 -2.519 -11.220 7.788 1.00 22.44 H new ATOM 0 HB3 MET A 109 -3.027 -9.546 7.893 1.00 22.44 H new ATOM 0 HG2 MET A 109 -4.047 -11.798 9.661 1.00 45.34 H new ATOM 0 HG3 MET A 109 -2.817 -10.635 10.115 1.00 45.34 H new ATOM 0 HE1 MET A 109 -4.801 -7.259 10.160 1.00 55.25 H new ATOM 0 HE2 MET A 109 -3.216 -8.047 9.979 1.00 55.25 H new ATOM 0 HE3 MET A 109 -4.305 -7.908 8.579 1.00 55.25 H new ATOM 1692 N TYR A 110 -4.653 -9.177 5.352 1.00 31.42 N ATOM 1693 CA TYR A 110 -5.118 -7.946 4.725 1.00 3.31 C ATOM 1694 C TYR A 110 -6.601 -8.036 4.380 1.00 61.35 C ATOM 1695 O TYR A 110 -7.350 -7.075 4.552 1.00 42.31 O ATOM 1696 CB TYR A 110 -4.305 -7.654 3.462 1.00 13.34 C ATOM 1697 CG TYR A 110 -4.835 -6.488 2.658 1.00 63.01 C ATOM 1698 CD1 TYR A 110 -5.831 -6.670 1.707 1.00 13.12 C ATOM 1699 CD2 TYR A 110 -4.339 -5.204 2.850 1.00 63.24 C ATOM 1700 CE1 TYR A 110 -6.317 -5.608 0.970 1.00 52.15 C ATOM 1701 CE2 TYR A 110 -4.820 -4.136 2.117 1.00 3.04 C ATOM 1702 CZ TYR A 110 -5.808 -4.343 1.178 1.00 15.14 C ATOM 1703 OH TYR A 110 -6.291 -3.282 0.447 1.00 61.14 O ATOM 0 H TYR A 110 -3.978 -9.704 4.798 1.00 31.42 H new ATOM 0 HA TYR A 110 -4.979 -7.131 5.435 1.00 3.31 H new ATOM 0 HB2 TYR A 110 -3.272 -7.451 3.744 1.00 13.34 H new ATOM 0 HB3 TYR A 110 -4.295 -8.544 2.833 1.00 13.34 H new ATOM 0 HD1 TYR A 110 -6.232 -7.659 1.541 1.00 13.12 H new ATOM 0 HD2 TYR A 110 -3.565 -5.038 3.584 1.00 63.24 H new ATOM 0 HE1 TYR A 110 -7.092 -5.767 0.235 1.00 52.15 H new ATOM 0 HE2 TYR A 110 -4.424 -3.144 2.279 1.00 3.04 H new ATOM 0 HH TYR A 110 -5.828 -2.461 0.716 1.00 61.14 H new ATOM 1713 N SER A 111 -7.018 -9.200 3.891 1.00 10.00 N ATOM 1714 CA SER A 111 -8.411 -9.417 3.518 1.00 62.23 C ATOM 1715 C SER A 111 -9.201 -10.001 4.685 1.00 73.24 C ATOM 1716 O SER A 111 -10.384 -9.706 4.856 1.00 63.02 O ATOM 1717 CB SER A 111 -8.497 -10.352 2.310 1.00 52.03 C ATOM 1718 OG SER A 111 -8.159 -11.681 2.668 1.00 52.31 O ATOM 0 H SER A 111 -6.411 -10.007 3.744 1.00 10.00 H new ATOM 0 HA SER A 111 -8.846 -8.453 3.254 1.00 62.23 H new ATOM 0 HB2 SER A 111 -9.506 -10.328 1.899 1.00 52.03 H new ATOM 0 HB3 SER A 111 -7.826 -10.001 1.526 1.00 52.03 H new ATOM 0 HG SER A 111 -8.223 -12.259 1.879 1.00 52.31 H new ATOM 1724 N GLN A 112 -8.539 -10.831 5.483 1.00 24.35 N ATOM 1725 CA GLN A 112 -9.179 -11.458 6.634 1.00 50.21 C ATOM 1726 C GLN A 112 -9.747 -10.406 7.580 1.00 14.44 C ATOM 1727 O GLN A 112 -10.895 -10.503 8.015 1.00 42.34 O ATOM 1728 CB GLN A 112 -8.181 -12.345 7.379 1.00 21.43 C ATOM 1729 CG GLN A 112 -8.082 -13.754 6.817 1.00 20.54 C ATOM 1730 CD GLN A 112 -7.010 -14.581 7.500 1.00 35.34 C ATOM 1731 OE1 GLN A 112 -6.556 -14.247 8.595 1.00 62.21 O ATOM 1732 NE2 GLN A 112 -6.601 -15.668 6.857 1.00 62.13 N ATOM 0 H GLN A 112 -7.560 -11.085 5.354 1.00 24.35 H new ATOM 0 HA GLN A 112 -10.001 -12.075 6.270 1.00 50.21 H new ATOM 0 HB2 GLN A 112 -7.196 -11.879 7.344 1.00 21.43 H new ATOM 0 HB3 GLN A 112 -8.470 -12.401 8.429 1.00 21.43 H new ATOM 0 HG2 GLN A 112 -9.045 -14.253 6.926 1.00 20.54 H new ATOM 0 HG3 GLN A 112 -7.869 -13.701 5.749 1.00 20.54 H new ATOM 0 HE21 GLN A 112 -7.005 -15.907 5.951 1.00 62.13 H new ATOM 0 HE22 GLN A 112 -5.883 -16.264 7.269 1.00 62.13 H new ATOM 1741 N MET A 113 -8.937 -9.401 7.896 1.00 24.11 N ATOM 1742 CA MET A 113 -9.360 -8.330 8.791 1.00 61.20 C ATOM 1743 C MET A 113 -9.776 -7.094 8.000 1.00 12.24 C ATOM 1744 O MET A 113 -9.937 -6.011 8.562 1.00 22.21 O ATOM 1745 CB MET A 113 -8.233 -7.973 9.763 1.00 74.24 C ATOM 1746 CG MET A 113 -8.329 -8.697 11.096 1.00 1.30 C ATOM 1747 SD MET A 113 -9.170 -7.720 12.357 1.00 20.32 S ATOM 1748 CE MET A 113 -10.521 -8.815 12.788 1.00 41.24 C ATOM 0 H MET A 113 -7.984 -9.306 7.546 1.00 24.11 H new ATOM 0 HA MET A 113 -10.221 -8.683 9.359 1.00 61.20 H new ATOM 0 HB2 MET A 113 -7.275 -8.209 9.299 1.00 74.24 H new ATOM 0 HB3 MET A 113 -8.245 -6.898 9.941 1.00 74.24 H new ATOM 0 HG2 MET A 113 -8.861 -9.638 10.957 1.00 1.30 H new ATOM 0 HG3 MET A 113 -7.326 -8.946 11.443 1.00 1.30 H new ATOM 0 HE1 MET A 113 -11.134 -8.350 13.560 1.00 41.24 H new ATOM 0 HE2 MET A 113 -11.131 -9.005 11.905 1.00 41.24 H new ATOM 0 HE3 MET A 113 -10.121 -9.757 13.162 1.00 41.24 H new ATOM 1758 N GLY A 114 -9.949 -7.263 6.693 1.00 70.11 N ATOM 1759 CA GLY A 114 -10.345 -6.152 5.847 1.00 25.21 C ATOM 1760 C GLY A 114 -9.453 -4.940 6.028 1.00 11.40 C ATOM 1761 O GLY A 114 -9.901 -3.802 5.877 1.00 71.21 O ATOM 0 H GLY A 114 -9.822 -8.149 6.205 1.00 70.11 H new ATOM 0 HA2 GLY A 114 -10.319 -6.466 4.804 1.00 25.21 H new ATOM 0 HA3 GLY A 114 -11.376 -5.878 6.071 1.00 25.21 H new