USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=18 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 Set 1.1: A 18 ASN : amide:sc= -0.225 K(o=-0.94,f=0.73) USER MOD Set 1.2: A 101 SER OG : rot 176:sc= -0.711 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= 0.933 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -152:sc= -0.242 (180deg=-1.27) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 41 MET CE :methyl -158:sc= 0 (180deg=-0.7) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -37:sc= 1.2 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0334 X(o=-0.033,f=-0.19) 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= 0.16 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -156:sc= -0.0984 (180deg=-0.534) USER MOD Single : A 86 THR OG1 : rot -75:sc= -0.369 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 63:sc= 0.157 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0.0055) USER MOD Single : A 109 MET CE :methyl 153:sc= -0.414 (180deg=-1.69) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot -32:sc= 0.543 USER MOD Single : A 112 GLN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 92 N ARG A 7 10.516 7.518 7.624 1.00 61.14 N ATOM 93 CA ARG A 7 10.799 6.327 8.415 1.00 63.31 C ATOM 94 C ARG A 7 9.849 5.191 8.047 1.00 64.25 C ATOM 95 O ARG A 7 10.283 4.076 7.755 1.00 34.34 O ATOM 96 CB ARG A 7 10.682 6.640 9.908 1.00 53.24 C ATOM 97 CG ARG A 7 11.853 7.439 10.456 1.00 14.32 C ATOM 98 CD ARG A 7 11.391 8.493 11.451 1.00 73.04 C ATOM 99 NE ARG A 7 11.669 9.848 10.981 1.00 33.33 N ATOM 100 CZ ARG A 7 12.878 10.398 10.999 1.00 74.14 C ATOM 101 NH1 ARG A 7 13.915 9.713 11.459 1.00 30.51 N ATOM 102 NH2 ARG A 7 13.051 11.636 10.554 1.00 12.13 N ATOM 0 HA ARG A 7 11.819 6.010 8.196 1.00 63.31 H new ATOM 0 HB2 ARG A 7 9.761 7.195 10.083 1.00 53.24 H new ATOM 0 HB3 ARG A 7 10.601 5.705 10.461 1.00 53.24 H new ATOM 0 HG2 ARG A 7 12.560 6.765 10.940 1.00 14.32 H new ATOM 0 HG3 ARG A 7 12.383 7.920 9.634 1.00 14.32 H new ATOM 0 HD2 ARG A 7 10.321 8.382 11.626 1.00 73.04 H new ATOM 0 HD3 ARG A 7 11.889 8.332 12.407 1.00 73.04 H new ATOM 0 HE ARG A 7 10.893 10.402 10.619 1.00 33.33 H new ATOM 0 HH11 ARG A 7 13.786 8.761 11.801 1.00 30.51 H new ATOM 0 HH12 ARG A 7 14.842 10.138 11.471 1.00 30.51 H new ATOM 0 HH21 ARG A 7 12.255 12.166 10.198 1.00 12.13 H new ATOM 0 HH22 ARG A 7 13.980 12.058 10.568 1.00 12.13 H new ATOM 116 N ASP A 8 8.553 5.482 8.062 1.00 24.11 N ATOM 117 CA ASP A 8 7.542 4.486 7.729 1.00 31.53 C ATOM 118 C ASP A 8 7.810 3.876 6.357 1.00 43.12 C ATOM 119 O ASP A 8 7.633 2.675 6.155 1.00 74.11 O ATOM 120 CB ASP A 8 6.148 5.114 7.758 1.00 34.33 C ATOM 121 CG ASP A 8 5.045 4.081 7.636 1.00 74.14 C ATOM 122 OD1 ASP A 8 4.615 3.546 8.679 1.00 71.34 O ATOM 123 OD2 ASP A 8 4.612 3.807 6.496 1.00 14.24 O ATOM 0 H ASP A 8 8.178 6.400 8.301 1.00 24.11 H new ATOM 0 HA ASP A 8 7.590 3.692 8.475 1.00 31.53 H new ATOM 0 HB2 ASP A 8 6.022 5.668 8.688 1.00 34.33 H new ATOM 0 HB3 ASP A 8 6.060 5.833 6.944 1.00 34.33 H new ATOM 128 N TRP A 9 8.238 4.712 5.418 1.00 53.14 N ATOM 129 CA TRP A 9 8.529 4.255 4.063 1.00 5.55 C ATOM 130 C TRP A 9 9.686 3.261 4.061 1.00 14.54 C ATOM 131 O TRP A 9 9.565 2.155 3.536 1.00 21.51 O ATOM 132 CB TRP A 9 8.862 5.446 3.162 1.00 24.24 C ATOM 133 CG TRP A 9 9.237 5.048 1.767 1.00 73.12 C ATOM 134 CD1 TRP A 9 10.499 4.897 1.268 1.00 22.54 C ATOM 135 CD2 TRP A 9 8.340 4.753 0.690 1.00 22.12 C ATOM 136 NE1 TRP A 9 10.441 4.525 -0.053 1.00 44.13 N ATOM 137 CE2 TRP A 9 9.128 4.429 -0.432 1.00 4.34 C ATOM 138 CE3 TRP A 9 6.949 4.728 0.565 1.00 14.40 C ATOM 139 CZ2 TRP A 9 8.569 4.088 -1.660 1.00 65.51 C ATOM 140 CZ3 TRP A 9 6.395 4.389 -0.655 1.00 44.30 C ATOM 141 CH2 TRP A 9 7.204 4.072 -1.754 1.00 64.22 C ATOM 0 H TRP A 9 8.391 5.709 5.569 1.00 53.14 H new ATOM 0 HA TRP A 9 7.642 3.753 3.677 1.00 5.55 H new ATOM 0 HB2 TRP A 9 8.002 6.115 3.123 1.00 24.24 H new ATOM 0 HB3 TRP A 9 9.683 6.009 3.605 1.00 24.24 H new ATOM 0 HD1 TRP A 9 11.409 5.048 1.830 1.00 22.54 H new ATOM 0 HE1 TRP A 9 11.246 4.349 -0.655 1.00 44.13 H new ATOM 0 HE3 TRP A 9 6.317 4.969 1.407 1.00 14.40 H new ATOM 0 HZ2 TRP A 9 9.191 3.845 -2.509 1.00 65.51 H new ATOM 0 HZ3 TRP A 9 5.321 4.368 -0.763 1.00 44.30 H new ATOM 0 HH2 TRP A 9 6.741 3.810 -2.694 1.00 64.22 H new ATOM 152 N LYS A 10 10.806 3.663 4.652 1.00 21.41 N ATOM 153 CA LYS A 10 11.985 2.807 4.720 1.00 35.41 C ATOM 154 C LYS A 10 11.641 1.457 5.342 1.00 24.04 C ATOM 155 O LYS A 10 12.178 0.424 4.942 1.00 13.31 O ATOM 156 CB LYS A 10 13.089 3.488 5.531 1.00 41.00 C ATOM 157 CG LYS A 10 14.173 4.117 4.673 1.00 3.32 C ATOM 158 CD LYS A 10 14.654 5.434 5.259 1.00 12.33 C ATOM 159 CE LYS A 10 15.369 6.280 4.217 1.00 24.02 C ATOM 160 NZ LYS A 10 16.805 5.904 4.088 1.00 14.33 N ATOM 0 H LYS A 10 10.922 4.576 5.091 1.00 21.41 H new ATOM 0 HA LYS A 10 12.341 2.639 3.704 1.00 35.41 H new ATOM 0 HB2 LYS A 10 12.643 4.258 6.161 1.00 41.00 H new ATOM 0 HB3 LYS A 10 13.544 2.755 6.197 1.00 41.00 H new ATOM 0 HG2 LYS A 10 15.013 3.429 4.584 1.00 3.32 H new ATOM 0 HG3 LYS A 10 13.790 4.284 3.666 1.00 3.32 H new ATOM 0 HD2 LYS A 10 13.804 5.988 5.658 1.00 12.33 H new ATOM 0 HD3 LYS A 10 15.327 5.238 6.094 1.00 12.33 H new ATOM 0 HE2 LYS A 10 14.875 6.163 3.253 1.00 24.02 H new ATOM 0 HE3 LYS A 10 15.292 7.333 4.489 1.00 24.02 H new ATOM 0 HZ1 LYS A 10 17.257 6.503 3.368 1.00 14.33 H new ATOM 0 HZ2 LYS A 10 17.283 6.040 5.002 1.00 14.33 H new ATOM 0 HZ3 LYS A 10 16.878 4.906 3.804 1.00 14.33 H new ATOM 174 N MET A 11 10.744 1.473 6.322 1.00 12.34 N ATOM 175 CA MET A 11 10.328 0.250 6.998 1.00 74.45 C ATOM 176 C MET A 11 9.485 -0.622 6.072 1.00 31.30 C ATOM 177 O MET A 11 9.765 -1.808 5.896 1.00 15.31 O ATOM 178 CB MET A 11 9.536 0.584 8.263 1.00 32.12 C ATOM 179 CG MET A 11 10.408 0.774 9.493 1.00 3.13 C ATOM 180 SD MET A 11 9.555 1.645 10.822 1.00 44.12 S ATOM 181 CE MET A 11 10.462 1.055 12.250 1.00 53.52 C ATOM 0 H MET A 11 10.291 2.320 6.666 1.00 12.34 H new ATOM 0 HA MET A 11 11.224 -0.305 7.276 1.00 74.45 H new ATOM 0 HB2 MET A 11 8.960 1.494 8.092 1.00 32.12 H new ATOM 0 HB3 MET A 11 8.820 -0.215 8.455 1.00 32.12 H new ATOM 0 HG2 MET A 11 10.736 -0.200 9.855 1.00 3.13 H new ATOM 0 HG3 MET A 11 11.304 1.330 9.216 1.00 3.13 H new ATOM 0 HE1 MET A 11 10.051 1.506 13.154 1.00 53.52 H new ATOM 0 HE2 MET A 11 10.375 -0.030 12.314 1.00 53.52 H new ATOM 0 HE3 MET A 11 11.512 1.330 12.153 1.00 53.52 H new ATOM 191 N ALA A 12 8.453 -0.027 5.483 1.00 34.34 N ATOM 192 CA ALA A 12 7.571 -0.750 4.575 1.00 52.41 C ATOM 193 C ALA A 12 8.364 -1.422 3.459 1.00 14.11 C ATOM 194 O ALA A 12 8.093 -2.567 3.096 1.00 52.23 O ATOM 195 CB ALA A 12 6.529 0.192 3.991 1.00 55.42 C ATOM 0 H ALA A 12 8.207 0.954 5.618 1.00 34.34 H new ATOM 0 HA ALA A 12 7.063 -1.529 5.144 1.00 52.41 H new ATOM 0 HB1 ALA A 12 5.877 -0.361 3.315 1.00 55.42 H new ATOM 0 HB2 ALA A 12 5.935 0.622 4.797 1.00 55.42 H new ATOM 0 HB3 ALA A 12 7.028 0.991 3.442 1.00 55.42 H new ATOM 201 N ILE A 13 9.342 -0.703 2.919 1.00 22.33 N ATOM 202 CA ILE A 13 10.174 -1.231 1.845 1.00 31.51 C ATOM 203 C ILE A 13 11.201 -2.222 2.382 1.00 64.22 C ATOM 204 O ILE A 13 11.478 -3.247 1.758 1.00 51.35 O ATOM 205 CB ILE A 13 10.908 -0.104 1.095 1.00 75.10 C ATOM 206 CG1 ILE A 13 9.901 0.890 0.512 1.00 74.40 C ATOM 207 CG2 ILE A 13 11.785 -0.683 -0.004 1.00 65.33 C ATOM 208 CD1 ILE A 13 9.000 0.288 -0.544 1.00 33.24 C ATOM 0 H ILE A 13 9.578 0.247 3.208 1.00 22.33 H new ATOM 0 HA ILE A 13 9.507 -1.743 1.152 1.00 31.51 H new ATOM 0 HB ILE A 13 11.547 0.426 1.801 1.00 75.10 H new ATOM 0 HG12 ILE A 13 9.286 1.287 1.319 1.00 74.40 H new ATOM 0 HG13 ILE A 13 10.442 1.732 0.080 1.00 74.40 H new ATOM 0 HG21 ILE A 13 12.297 0.126 -0.525 1.00 65.33 H new ATOM 0 HG22 ILE A 13 12.522 -1.356 0.435 1.00 65.33 H new ATOM 0 HG23 ILE A 13 11.166 -1.235 -0.711 1.00 65.33 H new ATOM 0 HD11 ILE A 13 8.312 1.049 -0.913 1.00 33.24 H new ATOM 0 HD12 ILE A 13 9.606 -0.084 -1.370 1.00 33.24 H new ATOM 0 HD13 ILE A 13 8.432 -0.535 -0.111 1.00 33.24 H new ATOM 220 N LYS A 14 11.764 -1.911 3.545 1.00 71.03 N ATOM 221 CA LYS A 14 12.759 -2.774 4.169 1.00 21.51 C ATOM 222 C LYS A 14 12.248 -4.208 4.273 1.00 53.23 C ATOM 223 O LYS A 14 13.001 -5.161 4.077 1.00 64.32 O ATOM 224 CB LYS A 14 13.120 -2.249 5.560 1.00 13.43 C ATOM 225 CG LYS A 14 13.991 -3.199 6.363 1.00 34.41 C ATOM 226 CD LYS A 14 14.897 -2.449 7.324 1.00 1.40 C ATOM 227 CE LYS A 14 14.638 -2.855 8.767 1.00 42.52 C ATOM 228 NZ LYS A 14 13.561 -2.035 9.389 1.00 64.32 N ATOM 0 H LYS A 14 11.547 -1.067 4.075 1.00 71.03 H new ATOM 0 HA LYS A 14 13.651 -2.769 3.542 1.00 21.51 H new ATOM 0 HB2 LYS A 14 13.638 -1.295 5.456 1.00 13.43 H new ATOM 0 HB3 LYS A 14 12.202 -2.054 6.115 1.00 13.43 H new ATOM 0 HG2 LYS A 14 13.359 -3.889 6.922 1.00 34.41 H new ATOM 0 HG3 LYS A 14 14.597 -3.800 5.685 1.00 34.41 H new ATOM 0 HD2 LYS A 14 15.939 -2.645 7.071 1.00 1.40 H new ATOM 0 HD3 LYS A 14 14.739 -1.376 7.213 1.00 1.40 H new ATOM 0 HE2 LYS A 14 14.360 -3.908 8.804 1.00 42.52 H new ATOM 0 HE3 LYS A 14 15.556 -2.748 9.345 1.00 42.52 H new ATOM 0 HZ1 LYS A 14 13.414 -2.342 10.372 1.00 64.32 H new ATOM 0 HZ2 LYS A 14 13.837 -1.032 9.377 1.00 64.32 H new ATOM 0 HZ3 LYS A 14 12.678 -2.157 8.853 1.00 64.32 H new ATOM 242 N ARG A 15 10.963 -4.352 4.580 1.00 31.03 N ATOM 243 CA ARG A 15 10.351 -5.669 4.709 1.00 24.23 C ATOM 244 C ARG A 15 9.922 -6.205 3.347 1.00 71.04 C ATOM 245 O ARG A 15 10.075 -7.393 3.059 1.00 15.05 O ATOM 246 CB ARG A 15 9.145 -5.605 5.647 1.00 33.24 C ATOM 247 CG ARG A 15 9.519 -5.589 7.121 1.00 53.35 C ATOM 248 CD ARG A 15 8.539 -4.759 7.935 1.00 53.42 C ATOM 249 NE ARG A 15 9.214 -3.952 8.948 1.00 62.21 N ATOM 250 CZ ARG A 15 9.765 -4.461 10.044 1.00 4.54 C ATOM 251 NH1 ARG A 15 9.722 -5.767 10.268 1.00 14.41 N ATOM 252 NH2 ARG A 15 10.362 -3.662 10.920 1.00 44.22 N ATOM 0 H ARG A 15 10.326 -3.573 4.744 1.00 31.03 H new ATOM 0 HA ARG A 15 11.094 -6.347 5.129 1.00 24.23 H new ATOM 0 HB2 ARG A 15 8.565 -4.711 5.418 1.00 33.24 H new ATOM 0 HB3 ARG A 15 8.500 -6.462 5.454 1.00 33.24 H new ATOM 0 HG2 ARG A 15 9.539 -6.609 7.504 1.00 53.35 H new ATOM 0 HG3 ARG A 15 10.525 -5.185 7.238 1.00 53.35 H new ATOM 0 HD2 ARG A 15 7.976 -4.106 7.268 1.00 53.42 H new ATOM 0 HD3 ARG A 15 7.819 -5.419 8.418 1.00 53.42 H new ATOM 0 HE ARG A 15 9.265 -2.943 8.806 1.00 62.21 H new ATOM 0 HH11 ARG A 15 9.265 -6.385 9.597 1.00 14.41 H new ATOM 0 HH12 ARG A 15 10.146 -6.154 11.111 1.00 14.41 H new ATOM 0 HH21 ARG A 15 10.398 -2.657 10.752 1.00 44.22 H new ATOM 0 HH22 ARG A 15 10.785 -4.053 11.762 1.00 44.22 H new ATOM 266 N CYS A 16 9.385 -5.322 2.512 1.00 35.13 N ATOM 267 CA CYS A 16 8.931 -5.706 1.180 1.00 25.41 C ATOM 268 C CYS A 16 10.056 -6.373 0.394 1.00 3.55 C ATOM 269 O CYS A 16 9.808 -7.176 -0.504 1.00 51.15 O ATOM 270 CB CYS A 16 8.418 -4.482 0.421 1.00 71.34 C ATOM 271 SG CYS A 16 7.133 -4.854 -0.796 1.00 14.14 S ATOM 0 H CYS A 16 9.253 -4.335 2.734 1.00 35.13 H new ATOM 0 HA CYS A 16 8.117 -6.422 1.292 1.00 25.41 H new ATOM 0 HB2 CYS A 16 8.026 -3.761 1.138 1.00 71.34 H new ATOM 0 HB3 CYS A 16 9.256 -4.004 -0.086 1.00 71.34 H new ATOM 0 HG CYS A 16 7.679 -5.032 -1.963 1.00 14.14 H new ATOM 277 N SER A 17 11.294 -6.032 0.739 1.00 41.21 N ATOM 278 CA SER A 17 12.458 -6.593 0.062 1.00 13.42 C ATOM 279 C SER A 17 12.438 -8.117 0.121 1.00 52.03 C ATOM 280 O SER A 17 12.915 -8.790 -0.792 1.00 30.23 O ATOM 281 CB SER A 17 13.746 -6.063 0.695 1.00 62.42 C ATOM 282 OG SER A 17 14.685 -5.687 -0.298 1.00 55.21 O ATOM 0 H SER A 17 11.517 -5.370 1.483 1.00 41.21 H new ATOM 0 HA SER A 17 12.423 -6.287 -0.984 1.00 13.42 H new ATOM 0 HB2 SER A 17 13.518 -5.205 1.328 1.00 62.42 H new ATOM 0 HB3 SER A 17 14.180 -6.828 1.339 1.00 62.42 H new ATOM 0 HG SER A 17 15.499 -5.350 0.132 1.00 55.21 H new ATOM 288 N ASN A 18 11.882 -8.654 1.202 1.00 73.23 N ATOM 289 CA ASN A 18 11.799 -10.099 1.381 1.00 24.21 C ATOM 290 C ASN A 18 10.829 -10.717 0.379 1.00 31.32 C ATOM 291 O ASN A 18 10.947 -11.891 0.027 1.00 33.25 O ATOM 292 CB ASN A 18 11.358 -10.433 2.808 1.00 44.33 C ATOM 293 CG ASN A 18 12.430 -11.170 3.587 1.00 61.54 C ATOM 294 OD1 ASN A 18 12.201 -12.270 4.091 1.00 71.04 O ATOM 295 ND2 ASN A 18 13.609 -10.567 3.689 1.00 55.24 N ATOM 0 H ASN A 18 11.482 -8.111 1.967 1.00 73.23 H new ATOM 0 HA ASN A 18 12.790 -10.519 1.206 1.00 24.21 H new ATOM 0 HB2 ASN A 18 11.101 -9.512 3.331 1.00 44.33 H new ATOM 0 HB3 ASN A 18 10.455 -11.042 2.773 1.00 44.33 H new ATOM 0 HD21 ASN A 18 14.369 -11.016 4.201 1.00 55.24 H new ATOM 0 HD22 ASN A 18 13.755 -9.655 3.255 1.00 55.24 H new ATOM 302 N VAL A 19 9.870 -9.918 -0.077 1.00 74.35 N ATOM 303 CA VAL A 19 8.879 -10.386 -1.040 1.00 44.52 C ATOM 304 C VAL A 19 9.549 -11.037 -2.245 1.00 30.52 C ATOM 305 O VAL A 19 10.436 -10.453 -2.867 1.00 34.14 O ATOM 306 CB VAL A 19 7.982 -9.232 -1.527 1.00 63.12 C ATOM 307 CG1 VAL A 19 6.979 -9.733 -2.555 1.00 63.02 C ATOM 308 CG2 VAL A 19 7.272 -8.578 -0.352 1.00 50.51 C ATOM 0 H VAL A 19 9.758 -8.944 0.204 1.00 74.35 H new ATOM 0 HA VAL A 19 8.263 -11.125 -0.527 1.00 44.52 H new ATOM 0 HB VAL A 19 8.612 -8.482 -2.005 1.00 63.12 H new ATOM 0 HG11 VAL A 19 6.354 -8.904 -2.888 1.00 63.02 H new ATOM 0 HG12 VAL A 19 7.512 -10.151 -3.409 1.00 63.02 H new ATOM 0 HG13 VAL A 19 6.352 -10.503 -2.106 1.00 63.02 H new ATOM 0 HG21 VAL A 19 6.643 -7.765 -0.714 1.00 50.51 H new ATOM 0 HG22 VAL A 19 6.653 -9.317 0.156 1.00 50.51 H new ATOM 0 HG23 VAL A 19 8.011 -8.182 0.345 1.00 50.51 H new ATOM 318 N ALA A 20 9.118 -12.252 -2.569 1.00 30.11 N ATOM 319 CA ALA A 20 9.674 -12.983 -3.701 1.00 32.11 C ATOM 320 C ALA A 20 8.643 -13.139 -4.813 1.00 75.42 C ATOM 321 O ALA A 20 7.446 -13.262 -4.551 1.00 71.54 O ATOM 322 CB ALA A 20 10.180 -14.346 -3.252 1.00 35.10 C ATOM 0 H ALA A 20 8.386 -12.751 -2.064 1.00 30.11 H new ATOM 0 HA ALA A 20 10.512 -12.409 -4.096 1.00 32.11 H new ATOM 0 HB1 ALA A 20 10.592 -14.881 -4.107 1.00 35.10 H new ATOM 0 HB2 ALA A 20 10.956 -14.216 -2.497 1.00 35.10 H new ATOM 0 HB3 ALA A 20 9.355 -14.919 -2.829 1.00 35.10 H new ATOM 328 N VAL A 21 9.114 -13.133 -6.056 1.00 51.11 N ATOM 329 CA VAL A 21 8.232 -13.274 -7.209 1.00 23.42 C ATOM 330 C VAL A 21 7.423 -14.564 -7.127 1.00 64.10 C ATOM 331 O VAL A 21 6.320 -14.652 -7.663 1.00 72.14 O ATOM 332 CB VAL A 21 9.027 -13.263 -8.528 1.00 42.31 C ATOM 333 CG1 VAL A 21 8.083 -13.239 -9.720 1.00 51.14 C ATOM 334 CG2 VAL A 21 9.978 -12.076 -8.566 1.00 54.54 C ATOM 0 H VAL A 21 10.102 -13.032 -6.291 1.00 51.11 H new ATOM 0 HA VAL A 21 7.553 -12.421 -7.195 1.00 23.42 H new ATOM 0 HB VAL A 21 9.620 -14.176 -8.583 1.00 42.31 H new ATOM 0 HG11 VAL A 21 8.663 -13.231 -10.643 1.00 51.14 H new ATOM 0 HG12 VAL A 21 7.447 -14.124 -9.698 1.00 51.14 H new ATOM 0 HG13 VAL A 21 7.462 -12.344 -9.674 1.00 51.14 H new ATOM 0 HG21 VAL A 21 10.532 -12.083 -9.505 1.00 54.54 H new ATOM 0 HG22 VAL A 21 9.408 -11.150 -8.488 1.00 54.54 H new ATOM 0 HG23 VAL A 21 10.677 -12.143 -7.732 1.00 54.54 H new ATOM 344 N GLY A 22 7.981 -15.564 -6.451 1.00 32.13 N ATOM 345 CA GLY A 22 7.297 -16.837 -6.310 1.00 42.53 C ATOM 346 C GLY A 22 7.603 -17.517 -4.991 1.00 4.32 C ATOM 347 O GLY A 22 8.446 -17.050 -4.224 1.00 14.42 O ATOM 0 H GLY A 22 8.894 -15.516 -5.999 1.00 32.13 H new ATOM 0 HA2 GLY A 22 6.222 -16.679 -6.393 1.00 42.53 H new ATOM 0 HA3 GLY A 22 7.587 -17.494 -7.130 1.00 42.53 H new ATOM 351 N VAL A 23 6.917 -18.623 -4.724 1.00 31.23 N ATOM 352 CA VAL A 23 7.119 -19.369 -3.487 1.00 43.22 C ATOM 353 C VAL A 23 8.546 -19.898 -3.392 1.00 32.20 C ATOM 354 O VAL A 23 9.110 -20.000 -2.304 1.00 1.35 O ATOM 355 CB VAL A 23 6.137 -20.550 -3.377 1.00 13.23 C ATOM 356 CG1 VAL A 23 4.700 -20.051 -3.380 1.00 33.14 C ATOM 357 CG2 VAL A 23 6.368 -21.542 -4.506 1.00 53.04 C ATOM 0 H VAL A 23 6.216 -19.023 -5.348 1.00 31.23 H new ATOM 0 HA VAL A 23 6.935 -18.676 -2.666 1.00 43.22 H new ATOM 0 HB VAL A 23 6.317 -21.063 -2.432 1.00 13.23 H new ATOM 0 HG11 VAL A 23 4.020 -20.899 -3.302 1.00 33.14 H new ATOM 0 HG12 VAL A 23 4.545 -19.382 -2.533 1.00 33.14 H new ATOM 0 HG13 VAL A 23 4.504 -19.513 -4.307 1.00 33.14 H new ATOM 0 HG21 VAL A 23 5.665 -22.370 -4.412 1.00 53.04 H new ATOM 0 HG22 VAL A 23 6.217 -21.045 -5.464 1.00 53.04 H new ATOM 0 HG23 VAL A 23 7.388 -21.924 -4.452 1.00 53.04 H new ATOM 436 N LYS A 29 14.072 -12.030 -5.752 1.00 41.10 N ATOM 437 CA LYS A 29 13.398 -11.115 -4.838 1.00 24.32 C ATOM 438 C LYS A 29 13.252 -9.731 -5.462 1.00 60.43 C ATOM 439 O LYS A 29 14.013 -9.359 -6.356 1.00 73.10 O ATOM 440 CB LYS A 29 14.174 -11.013 -3.522 1.00 73.43 C ATOM 441 CG LYS A 29 13.818 -12.099 -2.521 1.00 65.23 C ATOM 442 CD LYS A 29 14.171 -11.686 -1.102 1.00 63.32 C ATOM 443 CE LYS A 29 14.431 -12.896 -0.218 1.00 22.30 C ATOM 444 NZ LYS A 29 14.341 -12.556 1.229 1.00 41.31 N ATOM 0 HA LYS A 29 12.402 -11.510 -4.637 1.00 24.32 H new ATOM 0 HB2 LYS A 29 15.242 -11.062 -3.735 1.00 73.43 H new ATOM 0 HB3 LYS A 29 13.983 -10.039 -3.072 1.00 73.43 H new ATOM 0 HG2 LYS A 29 12.752 -12.317 -2.583 1.00 65.23 H new ATOM 0 HG3 LYS A 29 14.347 -13.018 -2.776 1.00 65.23 H new ATOM 0 HD2 LYS A 29 15.055 -11.048 -1.117 1.00 63.32 H new ATOM 0 HD3 LYS A 29 13.358 -11.094 -0.681 1.00 63.32 H new ATOM 0 HE2 LYS A 29 13.710 -13.679 -0.453 1.00 22.30 H new ATOM 0 HE3 LYS A 29 15.420 -13.299 -0.435 1.00 22.30 H new ATOM 0 HZ1 LYS A 29 14.950 -13.198 1.775 1.00 41.31 H new ATOM 0 HZ2 LYS A 29 14.654 -11.575 1.375 1.00 41.31 H new ATOM 0 HZ3 LYS A 29 13.357 -12.657 1.549 1.00 41.31 H new ATOM 458 N PHE A 30 12.271 -8.973 -4.985 1.00 52.33 N ATOM 459 CA PHE A 30 12.025 -7.629 -5.497 1.00 24.41 C ATOM 460 C PHE A 30 12.844 -6.597 -4.727 1.00 54.53 C ATOM 461 O PHE A 30 13.646 -6.944 -3.862 1.00 12.34 O ATOM 462 CB PHE A 30 10.537 -7.289 -5.404 1.00 35.32 C ATOM 463 CG PHE A 30 9.683 -8.065 -6.366 1.00 62.10 C ATOM 464 CD1 PHE A 30 10.026 -8.147 -7.706 1.00 51.51 C ATOM 465 CD2 PHE A 30 8.539 -8.713 -5.930 1.00 73.35 C ATOM 466 CE1 PHE A 30 9.242 -8.859 -8.594 1.00 31.03 C ATOM 467 CE2 PHE A 30 7.751 -9.428 -6.813 1.00 50.24 C ATOM 468 CZ PHE A 30 8.104 -9.501 -8.147 1.00 32.54 C ATOM 0 H PHE A 30 11.633 -9.266 -4.245 1.00 52.33 H new ATOM 0 HA PHE A 30 12.331 -7.603 -6.543 1.00 24.41 H new ATOM 0 HB2 PHE A 30 10.192 -7.481 -4.388 1.00 35.32 H new ATOM 0 HB3 PHE A 30 10.404 -6.223 -5.590 1.00 35.32 H new ATOM 0 HD1 PHE A 30 10.916 -7.649 -8.061 1.00 51.51 H new ATOM 0 HD2 PHE A 30 8.259 -8.659 -4.888 1.00 73.35 H new ATOM 0 HE1 PHE A 30 9.519 -8.913 -9.636 1.00 31.03 H new ATOM 0 HE2 PHE A 30 6.861 -9.929 -6.461 1.00 50.24 H new ATOM 0 HZ PHE A 30 7.491 -10.059 -8.839 1.00 32.54 H new ATOM 478 N GLY A 31 12.634 -5.324 -5.051 1.00 3.12 N ATOM 479 CA GLY A 31 13.359 -4.260 -4.382 1.00 45.51 C ATOM 480 C GLY A 31 12.644 -2.926 -4.471 1.00 22.05 C ATOM 481 O GLY A 31 11.671 -2.785 -5.211 1.00 5.23 O ATOM 0 H GLY A 31 11.975 -5.011 -5.764 1.00 3.12 H new ATOM 0 HA2 GLY A 31 13.500 -4.524 -3.334 1.00 45.51 H new ATOM 0 HA3 GLY A 31 14.351 -4.167 -4.824 1.00 45.51 H new ATOM 485 N GLU A 32 13.126 -1.946 -3.712 1.00 62.23 N ATOM 486 CA GLU A 32 12.524 -0.618 -3.707 1.00 74.33 C ATOM 487 C GLU A 32 12.384 -0.079 -5.128 1.00 4.42 C ATOM 488 O GLU A 32 11.412 0.602 -5.453 1.00 23.15 O ATOM 489 CB GLU A 32 13.363 0.344 -2.864 1.00 64.14 C ATOM 490 CG GLU A 32 14.743 0.613 -3.441 1.00 61.21 C ATOM 491 CD GLU A 32 15.665 1.299 -2.452 1.00 23.31 C ATOM 492 OE1 GLU A 32 15.820 0.781 -1.326 1.00 70.45 O ATOM 493 OE2 GLU A 32 16.233 2.354 -2.804 1.00 53.13 O ATOM 0 H GLU A 32 13.931 -2.047 -3.093 1.00 62.23 H new ATOM 0 HA GLU A 32 11.529 -0.699 -3.269 1.00 74.33 H new ATOM 0 HB2 GLU A 32 12.829 1.289 -2.766 1.00 64.14 H new ATOM 0 HB3 GLU A 32 13.472 -0.066 -1.860 1.00 64.14 H new ATOM 0 HG2 GLU A 32 15.191 -0.329 -3.756 1.00 61.21 H new ATOM 0 HG3 GLU A 32 14.646 1.233 -4.332 1.00 61.21 H new ATOM 500 N GLY A 33 13.365 -0.388 -5.971 1.00 1.40 N ATOM 501 CA GLY A 33 13.334 0.075 -7.346 1.00 60.53 C ATOM 502 C GLY A 33 12.144 -0.467 -8.113 1.00 52.20 C ATOM 503 O GLY A 33 11.470 0.272 -8.830 1.00 4.54 O ATOM 0 H GLY A 33 14.180 -0.950 -5.726 1.00 1.40 H new ATOM 0 HA2 GLY A 33 13.305 1.165 -7.359 1.00 60.53 H new ATOM 0 HA3 GLY A 33 14.254 -0.225 -7.848 1.00 60.53 H new ATOM 507 N ASN A 34 11.885 -1.762 -7.964 1.00 12.24 N ATOM 508 CA ASN A 34 10.769 -2.402 -8.650 1.00 34.21 C ATOM 509 C ASN A 34 9.436 -1.849 -8.155 1.00 51.41 C ATOM 510 O ASN A 34 8.577 -1.465 -8.950 1.00 4.43 O ATOM 511 CB ASN A 34 10.814 -3.917 -8.439 1.00 4.13 C ATOM 512 CG ASN A 34 11.934 -4.576 -9.221 1.00 23.15 C ATOM 513 OD1 ASN A 34 13.113 -4.339 -8.957 1.00 42.35 O ATOM 514 ND2 ASN A 34 11.569 -5.409 -10.188 1.00 63.21 N ATOM 0 H ASN A 34 12.433 -2.389 -7.374 1.00 12.24 H new ATOM 0 HA ASN A 34 10.859 -2.187 -9.715 1.00 34.21 H new ATOM 0 HB2 ASN A 34 10.941 -4.130 -7.378 1.00 4.13 H new ATOM 0 HB3 ASN A 34 9.860 -4.351 -8.739 1.00 4.13 H new ATOM 0 HD21 ASN A 34 12.278 -5.883 -10.748 1.00 63.21 H new ATOM 0 HD22 ASN A 34 10.579 -5.575 -10.371 1.00 63.21 H new ATOM 521 N PHE A 35 9.270 -1.810 -6.837 1.00 43.11 N ATOM 522 CA PHE A 35 8.042 -1.304 -6.235 1.00 42.44 C ATOM 523 C PHE A 35 7.774 0.133 -6.674 1.00 1.34 C ATOM 524 O PHE A 35 6.629 0.516 -6.915 1.00 44.53 O ATOM 525 CB PHE A 35 8.129 -1.376 -4.710 1.00 4.45 C ATOM 526 CG PHE A 35 8.596 -2.708 -4.198 1.00 64.30 C ATOM 527 CD1 PHE A 35 8.067 -3.884 -4.706 1.00 22.04 C ATOM 528 CD2 PHE A 35 9.565 -2.785 -3.210 1.00 72.51 C ATOM 529 CE1 PHE A 35 8.495 -5.112 -4.236 1.00 13.40 C ATOM 530 CE2 PHE A 35 9.996 -4.010 -2.737 1.00 25.31 C ATOM 531 CZ PHE A 35 9.461 -5.175 -3.251 1.00 43.14 C ATOM 0 H PHE A 35 9.971 -2.123 -6.165 1.00 43.11 H new ATOM 0 HA PHE A 35 7.216 -1.929 -6.574 1.00 42.44 H new ATOM 0 HB2 PHE A 35 8.809 -0.601 -4.356 1.00 4.45 H new ATOM 0 HB3 PHE A 35 7.148 -1.157 -4.287 1.00 4.45 H new ATOM 0 HD1 PHE A 35 7.312 -3.841 -5.477 1.00 22.04 H new ATOM 0 HD2 PHE A 35 9.988 -1.877 -2.805 1.00 72.51 H new ATOM 0 HE1 PHE A 35 8.074 -6.021 -4.639 1.00 13.40 H new ATOM 0 HE2 PHE A 35 10.751 -4.056 -1.966 1.00 25.31 H new ATOM 0 HZ PHE A 35 9.797 -6.133 -2.883 1.00 43.14 H new ATOM 541 N ARG A 36 8.838 0.923 -6.773 1.00 1.51 N ATOM 542 CA ARG A 36 8.718 2.318 -7.180 1.00 4.32 C ATOM 543 C ARG A 36 8.186 2.425 -8.606 1.00 33.13 C ATOM 544 O ARG A 36 7.302 3.234 -8.890 1.00 23.23 O ATOM 545 CB ARG A 36 10.074 3.020 -7.077 1.00 30.14 C ATOM 546 CG ARG A 36 10.485 3.343 -5.650 1.00 4.14 C ATOM 547 CD ARG A 36 11.990 3.531 -5.533 1.00 11.24 C ATOM 548 NE ARG A 36 12.402 4.886 -5.891 1.00 34.23 N ATOM 549 CZ ARG A 36 13.614 5.373 -5.650 1.00 52.25 C ATOM 550 NH1 ARG A 36 14.529 4.620 -5.055 1.00 54.42 N ATOM 551 NH2 ARG A 36 13.913 6.616 -6.006 1.00 40.03 N ATOM 0 H ARG A 36 9.792 0.621 -6.577 1.00 1.51 H new ATOM 0 HA ARG A 36 8.011 2.806 -6.509 1.00 4.32 H new ATOM 0 HB2 ARG A 36 10.837 2.388 -7.532 1.00 30.14 H new ATOM 0 HB3 ARG A 36 10.040 3.944 -7.654 1.00 30.14 H new ATOM 0 HG2 ARG A 36 9.977 4.249 -5.320 1.00 4.14 H new ATOM 0 HG3 ARG A 36 10.165 2.539 -4.987 1.00 4.14 H new ATOM 0 HD2 ARG A 36 12.304 3.315 -4.512 1.00 11.24 H new ATOM 0 HD3 ARG A 36 12.496 2.815 -6.181 1.00 11.24 H new ATOM 0 HE ARG A 36 11.722 5.491 -6.351 1.00 34.23 H new ATOM 0 HH11 ARG A 36 14.303 3.664 -4.781 1.00 54.42 H new ATOM 0 HH12 ARG A 36 15.459 4.997 -4.871 1.00 54.42 H new ATOM 0 HH21 ARG A 36 13.212 7.198 -6.465 1.00 40.03 H new ATOM 0 HH22 ARG A 36 14.844 6.990 -5.821 1.00 40.03 H new ATOM 565 N TRP A 37 8.729 1.604 -9.497 1.00 41.33 N ATOM 566 CA TRP A 37 8.309 1.607 -10.894 1.00 33.11 C ATOM 567 C TRP A 37 6.822 1.294 -11.015 1.00 75.34 C ATOM 568 O TRP A 37 6.113 1.904 -11.815 1.00 53.00 O ATOM 569 CB TRP A 37 9.124 0.590 -11.695 1.00 52.31 C ATOM 570 CG TRP A 37 8.633 0.410 -13.100 1.00 2.22 C ATOM 571 CD1 TRP A 37 9.107 1.033 -14.219 1.00 73.34 C ATOM 572 CD2 TRP A 37 7.573 -0.448 -13.534 1.00 34.13 C ATOM 573 NE1 TRP A 37 8.404 0.613 -15.323 1.00 62.02 N ATOM 574 CE2 TRP A 37 7.458 -0.296 -14.929 1.00 62.05 C ATOM 575 CE3 TRP A 37 6.710 -1.332 -12.880 1.00 11.43 C ATOM 576 CZ2 TRP A 37 6.515 -0.994 -15.679 1.00 63.12 C ATOM 577 CZ3 TRP A 37 5.774 -2.023 -13.625 1.00 63.51 C ATOM 578 CH2 TRP A 37 5.683 -1.852 -15.013 1.00 24.41 C ATOM 0 H TRP A 37 9.461 0.928 -9.278 1.00 41.33 H new ATOM 0 HA TRP A 37 8.486 2.603 -11.299 1.00 33.11 H new ATOM 0 HB2 TRP A 37 10.166 0.909 -11.720 1.00 52.31 H new ATOM 0 HB3 TRP A 37 9.097 -0.371 -11.182 1.00 52.31 H new ATOM 0 HD1 TRP A 37 9.915 1.750 -14.234 1.00 73.34 H new ATOM 0 HE1 TRP A 37 8.561 0.927 -16.281 1.00 62.02 H new ATOM 0 HE3 TRP A 37 6.774 -1.472 -11.811 1.00 11.43 H new ATOM 0 HZ2 TRP A 37 6.443 -0.863 -16.749 1.00 63.12 H new ATOM 0 HZ3 TRP A 37 5.101 -2.707 -13.129 1.00 63.51 H new ATOM 0 HH2 TRP A 37 4.942 -2.408 -15.568 1.00 24.41 H new ATOM 589 N ALA A 38 6.355 0.339 -10.217 1.00 41.10 N ATOM 590 CA ALA A 38 4.951 -0.053 -10.234 1.00 43.12 C ATOM 591 C ALA A 38 4.070 1.037 -9.634 1.00 34.11 C ATOM 592 O ALA A 38 3.147 1.530 -10.284 1.00 4.21 O ATOM 593 CB ALA A 38 4.760 -1.362 -9.484 1.00 33.53 C ATOM 0 H ALA A 38 6.929 -0.178 -9.550 1.00 41.10 H new ATOM 0 HA ALA A 38 4.651 -0.195 -11.272 1.00 43.12 H new ATOM 0 HB1 ALA A 38 3.707 -1.643 -9.505 1.00 33.53 H new ATOM 0 HB2 ALA A 38 5.353 -2.143 -9.959 1.00 33.53 H new ATOM 0 HB3 ALA A 38 5.083 -1.239 -8.450 1.00 33.53 H new ATOM 599 N ILE A 39 4.358 1.407 -8.391 1.00 5.30 N ATOM 600 CA ILE A 39 3.592 2.439 -7.704 1.00 55.01 C ATOM 601 C ILE A 39 3.566 3.733 -8.510 1.00 53.23 C ATOM 602 O ILE A 39 2.498 4.248 -8.843 1.00 10.24 O ATOM 603 CB ILE A 39 4.166 2.730 -6.305 1.00 42.32 C ATOM 604 CG1 ILE A 39 4.174 1.456 -5.458 1.00 3.31 C ATOM 605 CG2 ILE A 39 3.362 3.824 -5.619 1.00 55.12 C ATOM 606 CD1 ILE A 39 5.100 1.530 -4.264 1.00 42.50 C ATOM 0 H ILE A 39 5.117 1.007 -7.839 1.00 5.30 H new ATOM 0 HA ILE A 39 2.576 2.059 -7.598 1.00 55.01 H new ATOM 0 HB ILE A 39 5.193 3.077 -6.415 1.00 42.32 H new ATOM 0 HG12 ILE A 39 3.161 1.254 -5.110 1.00 3.31 H new ATOM 0 HG13 ILE A 39 4.469 0.614 -6.085 1.00 3.31 H new ATOM 0 HG21 ILE A 39 3.780 4.018 -4.631 1.00 55.12 H new ATOM 0 HG22 ILE A 39 3.404 4.735 -6.216 1.00 55.12 H new ATOM 0 HG23 ILE A 39 2.325 3.504 -5.517 1.00 55.12 H new ATOM 0 HD11 ILE A 39 5.055 0.593 -3.710 1.00 42.50 H new ATOM 0 HD12 ILE A 39 6.121 1.701 -4.605 1.00 42.50 H new ATOM 0 HD13 ILE A 39 4.793 2.350 -3.615 1.00 42.50 H new ATOM 618 N ARG A 40 4.748 4.253 -8.823 1.00 62.31 N ATOM 619 CA ARG A 40 4.862 5.487 -9.591 1.00 75.43 C ATOM 620 C ARG A 40 4.040 5.405 -10.875 1.00 11.55 C ATOM 621 O ARG A 40 3.270 6.313 -11.188 1.00 71.34 O ATOM 622 CB ARG A 40 6.327 5.770 -9.928 1.00 54.01 C ATOM 623 CG ARG A 40 7.172 6.129 -8.717 1.00 33.23 C ATOM 624 CD ARG A 40 7.540 7.604 -8.712 1.00 0.23 C ATOM 625 NE ARG A 40 7.928 8.067 -7.382 1.00 24.30 N ATOM 626 CZ ARG A 40 8.461 9.261 -7.146 1.00 34.34 C ATOM 627 NH1 ARG A 40 8.666 10.108 -8.144 1.00 42.04 N ATOM 628 NH2 ARG A 40 8.788 9.609 -5.908 1.00 12.22 N ATOM 0 H ARG A 40 5.641 3.839 -8.556 1.00 62.31 H new ATOM 0 HA ARG A 40 4.473 6.303 -8.981 1.00 75.43 H new ATOM 0 HB2 ARG A 40 6.756 4.893 -10.412 1.00 54.01 H new ATOM 0 HB3 ARG A 40 6.374 6.587 -10.648 1.00 54.01 H new ATOM 0 HG2 ARG A 40 6.625 5.886 -7.806 1.00 33.23 H new ATOM 0 HG3 ARG A 40 8.080 5.526 -8.714 1.00 33.23 H new ATOM 0 HD2 ARG A 40 8.360 7.775 -9.409 1.00 0.23 H new ATOM 0 HD3 ARG A 40 6.692 8.190 -9.067 1.00 0.23 H new ATOM 0 HE ARG A 40 7.782 7.439 -6.591 1.00 24.30 H new ATOM 0 HH11 ARG A 40 8.414 9.844 -9.097 1.00 42.04 H new ATOM 0 HH12 ARG A 40 9.075 11.024 -7.960 1.00 42.04 H new ATOM 0 HH21 ARG A 40 8.630 8.960 -5.137 1.00 12.22 H new ATOM 0 HH22 ARG A 40 9.197 10.526 -5.727 1.00 12.22 H new ATOM 642 N MET A 41 4.210 4.313 -11.612 1.00 44.11 N ATOM 643 CA MET A 41 3.484 4.114 -12.861 1.00 21.32 C ATOM 644 C MET A 41 1.985 4.302 -12.654 1.00 14.33 C ATOM 645 O MET A 41 1.330 5.022 -13.408 1.00 22.33 O ATOM 646 CB MET A 41 3.762 2.717 -13.420 1.00 32.23 C ATOM 647 CG MET A 41 4.953 2.665 -14.363 1.00 55.52 C ATOM 648 SD MET A 41 4.463 2.635 -16.098 1.00 40.23 S ATOM 649 CE MET A 41 6.063 2.665 -16.902 1.00 44.11 C ATOM 0 H MET A 41 4.844 3.552 -11.366 1.00 44.11 H new ATOM 0 HA MET A 41 3.830 4.860 -13.577 1.00 21.32 H new ATOM 0 HB2 MET A 41 3.935 2.031 -12.591 1.00 32.23 H new ATOM 0 HB3 MET A 41 2.876 2.363 -13.947 1.00 32.23 H new ATOM 0 HG2 MET A 41 5.591 3.530 -14.184 1.00 55.52 H new ATOM 0 HG3 MET A 41 5.548 1.779 -14.142 1.00 55.52 H new ATOM 0 HE1 MET A 41 5.951 3.037 -17.921 1.00 44.11 H new ATOM 0 HE2 MET A 41 6.736 3.320 -16.348 1.00 44.11 H new ATOM 0 HE3 MET A 41 6.477 1.657 -16.927 1.00 44.11 H new ATOM 659 N ALA A 42 1.447 3.651 -11.627 1.00 50.24 N ATOM 660 CA ALA A 42 0.025 3.749 -11.321 1.00 4.02 C ATOM 661 C ALA A 42 -0.374 5.190 -11.021 1.00 63.02 C ATOM 662 O ALA A 42 -1.393 5.676 -11.510 1.00 22.13 O ATOM 663 CB ALA A 42 -0.325 2.847 -10.146 1.00 45.33 C ATOM 0 H ALA A 42 1.975 3.050 -10.993 1.00 50.24 H new ATOM 0 HA ALA A 42 -0.534 3.420 -12.197 1.00 4.02 H new ATOM 0 HB1 ALA A 42 -1.390 2.930 -9.928 1.00 45.33 H new ATOM 0 HB2 ALA A 42 -0.085 1.814 -10.397 1.00 45.33 H new ATOM 0 HB3 ALA A 42 0.249 3.151 -9.271 1.00 45.33 H new ATOM 669 N ASN A 43 0.436 5.868 -10.214 1.00 62.13 N ATOM 670 CA ASN A 43 0.166 7.254 -9.849 1.00 22.44 C ATOM 671 C ASN A 43 0.014 8.125 -11.092 1.00 33.41 C ATOM 672 O ASN A 43 -0.775 9.070 -11.108 1.00 60.31 O ATOM 673 CB ASN A 43 1.291 7.798 -8.965 1.00 52.25 C ATOM 674 CG ASN A 43 0.772 8.682 -7.848 1.00 52.41 C ATOM 675 OD1 ASN A 43 0.121 8.208 -6.917 1.00 61.51 O ATOM 676 ND2 ASN A 43 1.058 9.976 -7.936 1.00 51.22 N ATOM 0 H ASN A 43 1.284 5.480 -9.801 1.00 62.13 H new ATOM 0 HA ASN A 43 -0.771 7.281 -9.292 1.00 22.44 H new ATOM 0 HB2 ASN A 43 1.848 6.965 -8.536 1.00 52.25 H new ATOM 0 HB3 ASN A 43 1.990 8.366 -9.579 1.00 52.25 H new ATOM 0 HD21 ASN A 43 0.735 10.620 -7.214 1.00 51.22 H new ATOM 0 HD22 ASN A 43 1.601 10.326 -8.726 1.00 51.22 H new ATOM 683 N VAL A 44 0.774 7.799 -12.133 1.00 12.03 N ATOM 684 CA VAL A 44 0.722 8.550 -13.381 1.00 64.15 C ATOM 685 C VAL A 44 -0.593 8.309 -14.114 1.00 64.30 C ATOM 686 O VAL A 44 -1.372 9.236 -14.333 1.00 34.32 O ATOM 687 CB VAL A 44 1.892 8.174 -14.311 1.00 34.11 C ATOM 688 CG1 VAL A 44 1.818 8.964 -15.609 1.00 12.14 C ATOM 689 CG2 VAL A 44 3.223 8.404 -13.612 1.00 12.53 C ATOM 0 H VAL A 44 1.433 7.020 -12.136 1.00 12.03 H new ATOM 0 HA VAL A 44 0.800 9.605 -13.119 1.00 64.15 H new ATOM 0 HB VAL A 44 1.814 7.114 -14.554 1.00 34.11 H new ATOM 0 HG11 VAL A 44 2.652 8.685 -16.253 1.00 12.14 H new ATOM 0 HG12 VAL A 44 0.879 8.743 -16.116 1.00 12.14 H new ATOM 0 HG13 VAL A 44 1.870 10.030 -15.389 1.00 12.14 H new ATOM 0 HG21 VAL A 44 4.038 8.133 -14.283 1.00 12.53 H new ATOM 0 HG22 VAL A 44 3.313 9.455 -13.337 1.00 12.53 H new ATOM 0 HG23 VAL A 44 3.273 7.789 -12.714 1.00 12.53 H new ATOM 699 N SER A 45 -0.833 7.057 -14.491 1.00 21.23 N ATOM 700 CA SER A 45 -2.053 6.693 -15.202 1.00 42.31 C ATOM 701 C SER A 45 -3.288 7.092 -14.401 1.00 13.31 C ATOM 702 O SER A 45 -4.352 7.351 -14.965 1.00 33.24 O ATOM 703 CB SER A 45 -2.076 5.189 -15.482 1.00 52.41 C ATOM 704 OG SER A 45 -1.713 4.915 -16.824 1.00 21.31 O ATOM 0 H SER A 45 -0.199 6.278 -14.316 1.00 21.23 H new ATOM 0 HA SER A 45 -2.067 7.232 -16.149 1.00 42.31 H new ATOM 0 HB2 SER A 45 -1.390 4.679 -14.805 1.00 52.41 H new ATOM 0 HB3 SER A 45 -3.072 4.794 -15.283 1.00 52.41 H new ATOM 0 HG SER A 45 -1.734 3.947 -16.977 1.00 21.31 H new ATOM 710 N THR A 46 -3.140 7.141 -13.081 1.00 23.53 N ATOM 711 CA THR A 46 -4.242 7.506 -12.200 1.00 50.43 C ATOM 712 C THR A 46 -3.913 8.761 -11.399 1.00 41.15 C ATOM 713 O THR A 46 -4.207 8.844 -10.208 1.00 32.32 O ATOM 714 CB THR A 46 -4.585 6.364 -11.225 1.00 54.35 C ATOM 715 OG1 THR A 46 -3.573 6.259 -10.218 1.00 61.24 O ATOM 716 CG2 THR A 46 -4.712 5.041 -11.965 1.00 42.13 C ATOM 0 H THR A 46 -2.266 6.932 -12.598 1.00 23.53 H new ATOM 0 HA THR A 46 -5.105 7.700 -12.838 1.00 50.43 H new ATOM 0 HB THR A 46 -5.542 6.592 -10.755 1.00 54.35 H new ATOM 0 HG1 THR A 46 -2.695 6.436 -10.616 1.00 61.24 H new ATOM 0 HG21 THR A 46 -4.955 4.249 -11.256 1.00 42.13 H new ATOM 0 HG22 THR A 46 -5.504 5.116 -12.710 1.00 42.13 H new ATOM 0 HG23 THR A 46 -3.769 4.809 -12.460 1.00 42.13 H new ATOM 851 N THR A 56 -4.500 6.183 2.614 1.00 22.32 N ATOM 852 CA THR A 56 -5.278 5.224 3.388 1.00 22.31 C ATOM 853 C THR A 56 -5.446 3.912 2.630 1.00 45.15 C ATOM 854 O THR A 56 -5.509 3.898 1.399 1.00 4.24 O ATOM 855 CB THR A 56 -6.670 5.782 3.739 1.00 3.30 C ATOM 856 OG1 THR A 56 -7.501 5.795 2.573 1.00 62.20 O ATOM 857 CG2 THR A 56 -6.561 7.190 4.305 1.00 22.15 C ATOM 0 HA THR A 56 -4.725 5.040 4.309 1.00 22.31 H new ATOM 0 HB THR A 56 -7.116 5.136 4.495 1.00 3.30 H new ATOM 0 HG1 THR A 56 -8.385 6.150 2.805 1.00 62.20 H new ATOM 0 HG21 THR A 56 -7.556 7.564 4.546 1.00 22.15 H new ATOM 0 HG22 THR A 56 -5.952 7.173 5.209 1.00 22.15 H new ATOM 0 HG23 THR A 56 -6.097 7.844 3.567 1.00 22.15 H new ATOM 865 N LEU A 57 -5.518 2.811 3.369 1.00 10.35 N ATOM 866 CA LEU A 57 -5.680 1.493 2.766 1.00 4.00 C ATOM 867 C LEU A 57 -6.868 1.474 1.810 1.00 62.13 C ATOM 868 O LEU A 57 -6.805 0.873 0.737 1.00 24.43 O ATOM 869 CB LEU A 57 -5.868 0.433 3.852 1.00 23.34 C ATOM 870 CG LEU A 57 -6.083 -1.000 3.362 1.00 3.33 C ATOM 871 CD1 LEU A 57 -4.943 -1.429 2.452 1.00 63.11 C ATOM 872 CD2 LEU A 57 -6.214 -1.953 4.541 1.00 11.33 C ATOM 0 H LEU A 57 -5.467 2.805 4.388 1.00 10.35 H new ATOM 0 HA LEU A 57 -4.777 1.267 2.199 1.00 4.00 H new ATOM 0 HB2 LEU A 57 -4.992 0.446 4.500 1.00 23.34 H new ATOM 0 HB3 LEU A 57 -6.723 0.718 4.466 1.00 23.34 H new ATOM 0 HG LEU A 57 -7.010 -1.033 2.790 1.00 3.33 H new ATOM 0 HD11 LEU A 57 -5.113 -2.451 2.113 1.00 63.11 H new ATOM 0 HD12 LEU A 57 -4.896 -0.764 1.590 1.00 63.11 H new ATOM 0 HD13 LEU A 57 -4.002 -1.380 3.000 1.00 63.11 H new ATOM 0 HD21 LEU A 57 -6.366 -2.968 4.173 1.00 11.33 H new ATOM 0 HD22 LEU A 57 -5.304 -1.917 5.141 1.00 11.33 H new ATOM 0 HD23 LEU A 57 -7.065 -1.658 5.155 1.00 11.33 H new ATOM 884 N ASP A 58 -7.949 2.137 2.204 1.00 1.25 N ATOM 885 CA ASP A 58 -9.151 2.199 1.381 1.00 1.40 C ATOM 886 C ASP A 58 -8.875 2.930 0.071 1.00 43.13 C ATOM 887 O ASP A 58 -9.365 2.534 -0.986 1.00 41.13 O ATOM 888 CB ASP A 58 -10.280 2.898 2.141 1.00 63.13 C ATOM 889 CG ASP A 58 -10.730 2.114 3.358 1.00 42.20 C ATOM 890 OD1 ASP A 58 -10.761 0.868 3.283 1.00 53.34 O ATOM 891 OD2 ASP A 58 -11.051 2.747 4.386 1.00 74.12 O ATOM 0 H ASP A 58 -8.018 2.640 3.089 1.00 1.25 H new ATOM 0 HA ASP A 58 -9.456 1.178 1.150 1.00 1.40 H new ATOM 0 HB2 ASP A 58 -9.946 3.888 2.453 1.00 63.13 H new ATOM 0 HB3 ASP A 58 -11.128 3.044 1.472 1.00 63.13 H new ATOM 896 N GLN A 59 -8.088 3.999 0.149 1.00 30.53 N ATOM 897 CA GLN A 59 -7.749 4.785 -1.031 1.00 3.24 C ATOM 898 C GLN A 59 -6.897 3.973 -2.000 1.00 24.30 C ATOM 899 O GLN A 59 -7.269 3.778 -3.158 1.00 12.02 O ATOM 900 CB GLN A 59 -7.006 6.059 -0.624 1.00 64.10 C ATOM 901 CG GLN A 59 -7.918 7.259 -0.429 1.00 3.33 C ATOM 902 CD GLN A 59 -8.327 7.901 -1.740 1.00 24.01 C ATOM 903 OE1 GLN A 59 -7.556 8.644 -2.348 1.00 4.34 O ATOM 904 NE2 GLN A 59 -9.545 7.617 -2.184 1.00 33.52 N ATOM 0 H GLN A 59 -7.674 4.340 1.017 1.00 30.53 H new ATOM 0 HA GLN A 59 -8.677 5.058 -1.534 1.00 3.24 H new ATOM 0 HB2 GLN A 59 -6.462 5.872 0.302 1.00 64.10 H new ATOM 0 HB3 GLN A 59 -6.265 6.297 -1.387 1.00 64.10 H new ATOM 0 HG2 GLN A 59 -8.811 6.947 0.113 1.00 3.33 H new ATOM 0 HG3 GLN A 59 -7.411 7.999 0.191 1.00 3.33 H new ATOM 0 HE21 GLN A 59 -10.151 6.996 -1.648 1.00 33.52 H new ATOM 0 HE22 GLN A 59 -9.875 8.020 -3.061 1.00 33.52 H new ATOM 913 N LEU A 60 -5.751 3.501 -1.520 1.00 72.24 N ATOM 914 CA LEU A 60 -4.845 2.709 -2.345 1.00 21.12 C ATOM 915 C LEU A 60 -5.566 1.507 -2.947 1.00 10.21 C ATOM 916 O LEU A 60 -5.258 1.079 -4.059 1.00 43.23 O ATOM 917 CB LEU A 60 -3.649 2.237 -1.515 1.00 14.41 C ATOM 918 CG LEU A 60 -2.668 1.303 -2.223 1.00 4.12 C ATOM 919 CD1 LEU A 60 -1.451 2.076 -2.709 1.00 32.24 C ATOM 920 CD2 LEU A 60 -2.248 0.170 -1.297 1.00 43.44 C ATOM 0 H LEU A 60 -5.428 3.653 -0.565 1.00 72.24 H new ATOM 0 HA LEU A 60 -4.489 3.341 -3.159 1.00 21.12 H new ATOM 0 HB2 LEU A 60 -3.101 3.115 -1.172 1.00 14.41 H new ATOM 0 HB3 LEU A 60 -4.026 1.730 -0.627 1.00 14.41 H new ATOM 0 HG LEU A 60 -3.168 0.871 -3.090 1.00 4.12 H new ATOM 0 HD11 LEU A 60 -0.764 1.395 -3.210 1.00 32.24 H new ATOM 0 HD12 LEU A 60 -1.767 2.851 -3.407 1.00 32.24 H new ATOM 0 HD13 LEU A 60 -0.949 2.537 -1.858 1.00 32.24 H new ATOM 0 HD21 LEU A 60 -1.550 -0.485 -1.817 1.00 43.44 H new ATOM 0 HD22 LEU A 60 -1.766 0.584 -0.411 1.00 43.44 H new ATOM 0 HD23 LEU A 60 -3.127 -0.401 -0.998 1.00 43.44 H new ATOM 932 N ARG A 61 -6.529 0.969 -2.206 1.00 22.05 N ATOM 933 CA ARG A 61 -7.295 -0.183 -2.667 1.00 3.43 C ATOM 934 C ARG A 61 -8.115 0.170 -3.904 1.00 11.31 C ATOM 935 O ARG A 61 -8.076 -0.538 -4.911 1.00 21.11 O ATOM 936 CB ARG A 61 -8.218 -0.686 -1.556 1.00 12.22 C ATOM 937 CG ARG A 61 -8.983 -1.947 -1.924 1.00 4.13 C ATOM 938 CD ARG A 61 -10.102 -2.229 -0.933 1.00 65.13 C ATOM 939 NE ARG A 61 -11.383 -2.441 -1.601 1.00 60.10 N ATOM 940 CZ ARG A 61 -12.521 -2.666 -0.953 1.00 42.44 C ATOM 941 NH1 ARG A 61 -12.536 -2.707 0.372 1.00 53.33 N ATOM 942 NH2 ARG A 61 -13.647 -2.849 -1.631 1.00 44.05 N ATOM 0 H ARG A 61 -6.797 1.312 -1.284 1.00 22.05 H new ATOM 0 HA ARG A 61 -6.592 -0.973 -2.931 1.00 3.43 H new ATOM 0 HB2 ARG A 61 -7.625 -0.879 -0.662 1.00 12.22 H new ATOM 0 HB3 ARG A 61 -8.930 0.100 -1.303 1.00 12.22 H new ATOM 0 HG2 ARG A 61 -9.400 -1.841 -2.925 1.00 4.13 H new ATOM 0 HG3 ARG A 61 -8.298 -2.794 -1.952 1.00 4.13 H new ATOM 0 HD2 ARG A 61 -9.850 -3.110 -0.343 1.00 65.13 H new ATOM 0 HD3 ARG A 61 -10.189 -1.394 -0.238 1.00 65.13 H new ATOM 0 HE ARG A 61 -11.405 -2.415 -2.620 1.00 60.10 H new ATOM 0 HH11 ARG A 61 -11.673 -2.566 0.896 1.00 53.33 H new ATOM 0 HH12 ARG A 61 -13.411 -2.880 0.867 1.00 53.33 H new ATOM 0 HH21 ARG A 61 -13.639 -2.817 -2.650 1.00 44.05 H new ATOM 0 HH22 ARG A 61 -14.520 -3.022 -1.133 1.00 44.05 H new ATOM 956 N LEU A 62 -8.858 1.269 -3.821 1.00 63.44 N ATOM 957 CA LEU A 62 -9.688 1.716 -4.934 1.00 35.10 C ATOM 958 C LEU A 62 -8.828 2.137 -6.121 1.00 71.21 C ATOM 959 O LEU A 62 -9.289 2.146 -7.263 1.00 2.32 O ATOM 960 CB LEU A 62 -10.578 2.881 -4.496 1.00 30.31 C ATOM 961 CG LEU A 62 -11.263 3.661 -5.618 1.00 52.03 C ATOM 962 CD1 LEU A 62 -12.204 2.757 -6.400 1.00 10.04 C ATOM 963 CD2 LEU A 62 -12.016 4.857 -5.054 1.00 31.02 C ATOM 0 H LEU A 62 -8.902 1.866 -2.995 1.00 63.44 H new ATOM 0 HA LEU A 62 -10.317 0.882 -5.243 1.00 35.10 H new ATOM 0 HB2 LEU A 62 -11.347 2.493 -3.828 1.00 30.31 H new ATOM 0 HB3 LEU A 62 -9.972 3.576 -3.915 1.00 30.31 H new ATOM 0 HG LEU A 62 -10.496 4.028 -6.299 1.00 52.03 H new ATOM 0 HD11 LEU A 62 -12.682 3.330 -7.194 1.00 10.04 H new ATOM 0 HD12 LEU A 62 -11.639 1.934 -6.836 1.00 10.04 H new ATOM 0 HD13 LEU A 62 -12.966 2.359 -5.730 1.00 10.04 H new ATOM 0 HD21 LEU A 62 -12.497 5.400 -5.867 1.00 31.02 H new ATOM 0 HD22 LEU A 62 -12.773 4.511 -4.350 1.00 31.02 H new ATOM 0 HD23 LEU A 62 -11.318 5.517 -4.540 1.00 31.02 H new ATOM 975 N VAL A 63 -7.575 2.482 -5.844 1.00 42.41 N ATOM 976 CA VAL A 63 -6.648 2.901 -6.889 1.00 74.13 C ATOM 977 C VAL A 63 -6.264 1.728 -7.785 1.00 10.43 C ATOM 978 O VAL A 63 -6.528 1.740 -8.987 1.00 51.24 O ATOM 979 CB VAL A 63 -5.369 3.517 -6.292 1.00 15.21 C ATOM 980 CG1 VAL A 63 -4.401 3.913 -7.396 1.00 53.32 C ATOM 981 CG2 VAL A 63 -5.713 4.714 -5.418 1.00 52.12 C ATOM 0 H VAL A 63 -7.178 2.480 -4.904 1.00 42.41 H new ATOM 0 HA VAL A 63 -7.162 3.656 -7.484 1.00 74.13 H new ATOM 0 HB VAL A 63 -4.883 2.768 -5.668 1.00 15.21 H new ATOM 0 HG11 VAL A 63 -3.503 4.346 -6.955 1.00 53.32 H new ATOM 0 HG12 VAL A 63 -4.131 3.031 -7.976 1.00 53.32 H new ATOM 0 HG13 VAL A 63 -4.874 4.646 -8.049 1.00 53.32 H new ATOM 0 HG21 VAL A 63 -4.798 5.137 -5.004 1.00 52.12 H new ATOM 0 HG22 VAL A 63 -6.223 5.468 -6.018 1.00 52.12 H new ATOM 0 HG23 VAL A 63 -6.365 4.395 -4.605 1.00 52.12 H new ATOM 991 N ILE A 64 -5.640 0.717 -7.190 1.00 43.25 N ATOM 992 CA ILE A 64 -5.220 -0.464 -7.934 1.00 74.23 C ATOM 993 C ILE A 64 -6.394 -1.090 -8.680 1.00 53.50 C ATOM 994 O ILE A 64 -6.251 -1.541 -9.817 1.00 52.31 O ATOM 995 CB ILE A 64 -4.595 -1.522 -7.006 1.00 2.55 C ATOM 996 CG1 ILE A 64 -4.229 -2.777 -7.800 1.00 21.13 C ATOM 997 CG2 ILE A 64 -5.551 -1.864 -5.873 1.00 74.43 C ATOM 998 CD1 ILE A 64 -3.502 -3.820 -6.980 1.00 61.00 C ATOM 0 H ILE A 64 -5.414 0.692 -6.196 1.00 43.25 H new ATOM 0 HA ILE A 64 -4.470 -0.133 -8.652 1.00 74.23 H new ATOM 0 HB ILE A 64 -3.683 -1.111 -6.573 1.00 2.55 H new ATOM 0 HG12 ILE A 64 -5.139 -3.217 -8.208 1.00 21.13 H new ATOM 0 HG13 ILE A 64 -3.605 -2.492 -8.647 1.00 21.13 H new ATOM 0 HG21 ILE A 64 -5.095 -2.613 -5.226 1.00 74.43 H new ATOM 0 HG22 ILE A 64 -5.765 -0.966 -5.294 1.00 74.43 H new ATOM 0 HG23 ILE A 64 -6.479 -2.259 -6.287 1.00 74.43 H new ATOM 0 HD11 ILE A 64 -3.274 -4.682 -7.607 1.00 61.00 H new ATOM 0 HD12 ILE A 64 -2.575 -3.397 -6.593 1.00 61.00 H new ATOM 0 HD13 ILE A 64 -4.133 -4.133 -6.148 1.00 61.00 H new ATOM 1010 N CYS A 65 -7.554 -1.111 -8.034 1.00 35.45 N ATOM 1011 CA CYS A 65 -8.755 -1.681 -8.636 1.00 2.41 C ATOM 1012 C CYS A 65 -9.133 -0.930 -9.909 1.00 2.14 C ATOM 1013 O CYS A 65 -9.415 -1.540 -10.940 1.00 42.43 O ATOM 1014 CB CYS A 65 -9.917 -1.642 -7.642 1.00 42.23 C ATOM 1015 SG CYS A 65 -11.454 -2.351 -8.276 1.00 54.14 S ATOM 0 H CYS A 65 -7.689 -0.740 -7.093 1.00 35.45 H new ATOM 0 HA CYS A 65 -8.544 -2.718 -8.896 1.00 2.41 H new ATOM 0 HB2 CYS A 65 -9.627 -2.179 -6.739 1.00 42.23 H new ATOM 0 HB3 CYS A 65 -10.099 -0.607 -7.353 1.00 42.23 H new ATOM 0 HG CYS A 65 -12.376 -2.274 -7.363 1.00 54.14 H new ATOM 1021 N ASP A 66 -9.138 0.396 -9.828 1.00 1.04 N ATOM 1022 CA ASP A 66 -9.482 1.231 -10.973 1.00 31.32 C ATOM 1023 C ASP A 66 -8.500 1.011 -12.120 1.00 15.23 C ATOM 1024 O ASP A 66 -8.903 0.760 -13.256 1.00 53.54 O ATOM 1025 CB ASP A 66 -9.494 2.706 -10.570 1.00 43.33 C ATOM 1026 CG ASP A 66 -10.156 3.585 -11.613 1.00 15.45 C ATOM 1027 OD1 ASP A 66 -9.446 4.069 -12.518 1.00 53.24 O ATOM 1028 OD2 ASP A 66 -11.385 3.790 -11.522 1.00 13.42 O ATOM 0 H ASP A 66 -8.908 0.916 -8.981 1.00 1.04 H new ATOM 0 HA ASP A 66 -10.478 0.948 -11.313 1.00 31.32 H new ATOM 0 HB2 ASP A 66 -10.018 2.816 -9.621 1.00 43.33 H new ATOM 0 HB3 ASP A 66 -8.470 3.045 -10.410 1.00 43.33 H new ATOM 1033 N LEU A 67 -7.211 1.108 -11.815 1.00 12.13 N ATOM 1034 CA LEU A 67 -6.171 0.921 -12.820 1.00 40.23 C ATOM 1035 C LEU A 67 -6.245 -0.476 -13.427 1.00 72.23 C ATOM 1036 O LEU A 67 -6.262 -0.632 -14.648 1.00 25.31 O ATOM 1037 CB LEU A 67 -4.790 1.149 -12.203 1.00 32.44 C ATOM 1038 CG LEU A 67 -3.599 0.640 -13.016 1.00 11.24 C ATOM 1039 CD1 LEU A 67 -2.396 1.552 -12.828 1.00 34.34 C ATOM 1040 CD2 LEU A 67 -3.255 -0.789 -12.621 1.00 2.52 C ATOM 0 H LEU A 67 -6.861 1.315 -10.880 1.00 12.13 H new ATOM 0 HA LEU A 67 -6.332 1.651 -13.613 1.00 40.23 H new ATOM 0 HB2 LEU A 67 -4.660 2.218 -12.037 1.00 32.44 H new ATOM 0 HB3 LEU A 67 -4.768 0.670 -11.224 1.00 32.44 H new ATOM 0 HG LEU A 67 -3.873 0.648 -14.071 1.00 11.24 H new ATOM 0 HD11 LEU A 67 -1.558 1.174 -13.414 1.00 34.34 H new ATOM 0 HD12 LEU A 67 -2.647 2.559 -13.161 1.00 34.34 H new ATOM 0 HD13 LEU A 67 -2.120 1.577 -11.774 1.00 34.34 H new ATOM 0 HD21 LEU A 67 -2.405 -1.135 -13.210 1.00 2.52 H new ATOM 0 HD22 LEU A 67 -3.000 -0.822 -11.562 1.00 2.52 H new ATOM 0 HD23 LEU A 67 -4.113 -1.435 -12.808 1.00 2.52 H new ATOM 1052 N GLN A 68 -6.292 -1.488 -12.567 1.00 11.14 N ATOM 1053 CA GLN A 68 -6.366 -2.872 -13.019 1.00 34.11 C ATOM 1054 C GLN A 68 -7.546 -3.073 -13.964 1.00 34.52 C ATOM 1055 O GLN A 68 -7.446 -3.802 -14.950 1.00 44.25 O ATOM 1056 CB GLN A 68 -6.490 -3.816 -11.822 1.00 23.14 C ATOM 1057 CG GLN A 68 -6.402 -5.287 -12.195 1.00 71.10 C ATOM 1058 CD GLN A 68 -7.573 -6.093 -11.669 1.00 31.41 C ATOM 1059 OE1 GLN A 68 -8.010 -5.907 -10.533 1.00 1.41 O ATOM 1060 NE2 GLN A 68 -8.089 -6.997 -12.494 1.00 43.24 N ATOM 0 H GLN A 68 -6.280 -1.375 -11.553 1.00 11.14 H new ATOM 0 HA GLN A 68 -5.447 -3.101 -13.559 1.00 34.11 H new ATOM 0 HB2 GLN A 68 -5.703 -3.584 -11.104 1.00 23.14 H new ATOM 0 HB3 GLN A 68 -7.441 -3.633 -11.322 1.00 23.14 H new ATOM 0 HG2 GLN A 68 -6.359 -5.381 -13.280 1.00 71.10 H new ATOM 0 HG3 GLN A 68 -5.474 -5.703 -11.802 1.00 71.10 H new ATOM 0 HE21 GLN A 68 -7.696 -7.119 -13.427 1.00 43.24 H new ATOM 0 HE22 GLN A 68 -8.878 -7.570 -12.194 1.00 43.24 H new ATOM 1069 N GLU A 69 -8.664 -2.423 -13.654 1.00 61.42 N ATOM 1070 CA GLU A 69 -9.863 -2.533 -14.476 1.00 53.02 C ATOM 1071 C GLU A 69 -9.600 -2.029 -15.892 1.00 54.23 C ATOM 1072 O GLU A 69 -9.874 -2.724 -16.871 1.00 10.12 O ATOM 1073 CB GLU A 69 -11.013 -1.744 -13.847 1.00 54.43 C ATOM 1074 CG GLU A 69 -12.387 -2.310 -14.167 1.00 43.30 C ATOM 1075 CD GLU A 69 -12.907 -3.228 -13.078 1.00 70.13 C ATOM 1076 OE1 GLU A 69 -12.255 -4.259 -12.811 1.00 70.32 O ATOM 1077 OE2 GLU A 69 -13.966 -2.916 -12.494 1.00 25.20 O ATOM 0 H GLU A 69 -8.764 -1.816 -12.841 1.00 61.42 H new ATOM 0 HA GLU A 69 -10.141 -3.586 -14.530 1.00 53.02 H new ATOM 0 HB2 GLU A 69 -10.880 -1.725 -12.765 1.00 54.43 H new ATOM 0 HB3 GLU A 69 -10.965 -0.711 -14.192 1.00 54.43 H new ATOM 0 HG2 GLU A 69 -13.089 -1.489 -14.311 1.00 43.30 H new ATOM 0 HG3 GLU A 69 -12.340 -2.858 -15.108 1.00 43.30 H new ATOM 1084 N ARG A 70 -9.069 -0.815 -15.993 1.00 5.04 N ATOM 1085 CA ARG A 70 -8.770 -0.216 -17.288 1.00 72.30 C ATOM 1086 C ARG A 70 -7.690 -1.010 -18.018 1.00 14.11 C ATOM 1087 O ARG A 70 -7.866 -1.400 -19.172 1.00 53.13 O ATOM 1088 CB ARG A 70 -8.320 1.235 -17.111 1.00 41.04 C ATOM 1089 CG ARG A 70 -8.206 2.001 -18.419 1.00 71.24 C ATOM 1090 CD ARG A 70 -8.443 3.489 -18.216 1.00 54.10 C ATOM 1091 NE ARG A 70 -7.437 4.301 -18.895 1.00 12.54 N ATOM 1092 CZ ARG A 70 -7.273 5.601 -18.676 1.00 51.53 C ATOM 1093 NH1 ARG A 70 -8.044 6.233 -17.802 1.00 75.12 N ATOM 1094 NH2 ARG A 70 -6.335 6.272 -19.333 1.00 13.41 N ATOM 0 H ARG A 70 -8.837 -0.227 -15.193 1.00 5.04 H new ATOM 0 HA ARG A 70 -9.680 -0.236 -17.888 1.00 72.30 H new ATOM 0 HB2 ARG A 70 -9.027 1.749 -16.459 1.00 41.04 H new ATOM 0 HB3 ARG A 70 -7.354 1.248 -16.607 1.00 41.04 H new ATOM 0 HG2 ARG A 70 -7.216 1.844 -18.848 1.00 71.24 H new ATOM 0 HG3 ARG A 70 -8.930 1.611 -19.135 1.00 71.24 H new ATOM 0 HD2 ARG A 70 -9.433 3.752 -18.588 1.00 54.10 H new ATOM 0 HD3 ARG A 70 -8.433 3.716 -17.150 1.00 54.10 H new ATOM 0 HE ARG A 70 -6.827 3.845 -19.574 1.00 12.54 H new ATOM 0 HH11 ARG A 70 -8.766 5.721 -17.295 1.00 75.12 H new ATOM 0 HH12 ARG A 70 -7.915 7.231 -17.636 1.00 75.12 H new ATOM 0 HH21 ARG A 70 -5.740 5.790 -20.006 1.00 13.41 H new ATOM 0 HH22 ARG A 70 -6.209 7.270 -19.165 1.00 13.41 H new ATOM 1108 N ARG A 71 -6.573 -1.244 -17.337 1.00 35.40 N ATOM 1109 CA ARG A 71 -5.465 -1.990 -17.921 1.00 2.50 C ATOM 1110 C ARG A 71 -5.929 -3.355 -18.418 1.00 35.54 C ATOM 1111 O ARG A 71 -5.568 -3.783 -19.513 1.00 73.52 O ATOM 1112 CB ARG A 71 -4.342 -2.162 -16.896 1.00 35.41 C ATOM 1113 CG ARG A 71 -3.722 -0.850 -16.445 1.00 70.20 C ATOM 1114 CD ARG A 71 -2.678 -0.359 -17.435 1.00 5.41 C ATOM 1115 NE ARG A 71 -3.048 0.922 -18.031 1.00 53.00 N ATOM 1116 CZ ARG A 71 -2.369 1.498 -19.017 1.00 32.22 C ATOM 1117 NH1 ARG A 71 -1.290 0.910 -19.515 1.00 33.31 N ATOM 1118 NH2 ARG A 71 -2.769 2.664 -19.507 1.00 13.22 N ATOM 0 H ARG A 71 -6.411 -0.928 -16.381 1.00 35.40 H new ATOM 0 HA ARG A 71 -5.087 -1.423 -18.772 1.00 2.50 H new ATOM 0 HB2 ARG A 71 -4.734 -2.687 -16.025 1.00 35.41 H new ATOM 0 HB3 ARG A 71 -3.564 -2.793 -17.325 1.00 35.41 H new ATOM 0 HG2 ARG A 71 -4.502 -0.097 -16.333 1.00 70.20 H new ATOM 0 HG3 ARG A 71 -3.263 -0.981 -15.465 1.00 70.20 H new ATOM 0 HD2 ARG A 71 -1.718 -0.259 -16.929 1.00 5.41 H new ATOM 0 HD3 ARG A 71 -2.548 -1.101 -18.223 1.00 5.41 H new ATOM 0 HE ARG A 71 -3.873 1.401 -17.670 1.00 53.00 H new ATOM 0 HH11 ARG A 71 -0.979 0.013 -19.141 1.00 33.31 H new ATOM 0 HH12 ARG A 71 -0.771 1.354 -20.272 1.00 33.31 H new ATOM 0 HH21 ARG A 71 -3.599 3.119 -19.127 1.00 13.22 H new ATOM 0 HH22 ARG A 71 -2.247 3.105 -20.264 1.00 13.22 H new ATOM 1132 N GLU A 72 -6.732 -4.034 -17.603 1.00 62.02 N ATOM 1133 CA GLU A 72 -7.244 -5.352 -17.960 1.00 51.21 C ATOM 1134 C GLU A 72 -8.038 -5.293 -19.262 1.00 0.40 C ATOM 1135 O GLU A 72 -7.824 -6.096 -20.170 1.00 40.44 O ATOM 1136 CB GLU A 72 -8.126 -5.902 -16.837 1.00 24.11 C ATOM 1137 CG GLU A 72 -8.695 -7.280 -17.130 1.00 23.24 C ATOM 1138 CD GLU A 72 -9.763 -7.693 -16.136 1.00 73.11 C ATOM 1139 OE1 GLU A 72 -10.757 -6.950 -15.991 1.00 45.21 O ATOM 1140 OE2 GLU A 72 -9.607 -8.758 -15.504 1.00 23.31 O ATOM 0 H GLU A 72 -7.041 -3.693 -16.693 1.00 62.02 H new ATOM 0 HA GLU A 72 -6.393 -6.018 -18.103 1.00 51.21 H new ATOM 0 HB2 GLU A 72 -7.543 -5.947 -15.917 1.00 24.11 H new ATOM 0 HB3 GLU A 72 -8.948 -5.209 -16.660 1.00 24.11 H new ATOM 0 HG2 GLU A 72 -9.116 -7.289 -18.135 1.00 23.24 H new ATOM 0 HG3 GLU A 72 -7.888 -8.013 -17.116 1.00 23.24 H new ATOM 1147 N LYS A 73 -8.956 -4.336 -19.345 1.00 53.10 N ATOM 1148 CA LYS A 73 -9.783 -4.169 -20.534 1.00 60.45 C ATOM 1149 C LYS A 73 -8.918 -4.004 -21.780 1.00 24.43 C ATOM 1150 O LYS A 73 -9.244 -4.523 -22.848 1.00 12.52 O ATOM 1151 CB LYS A 73 -10.703 -2.957 -20.376 1.00 11.14 C ATOM 1152 CG LYS A 73 -12.060 -3.132 -21.035 1.00 60.51 C ATOM 1153 CD LYS A 73 -13.141 -3.444 -20.013 1.00 65.33 C ATOM 1154 CE LYS A 73 -13.657 -2.180 -19.345 1.00 2.54 C ATOM 1155 NZ LYS A 73 -15.145 -2.138 -19.310 1.00 70.23 N ATOM 0 H LYS A 73 -9.146 -3.664 -18.602 1.00 53.10 H new ATOM 0 HA LYS A 73 -10.391 -5.066 -20.651 1.00 60.45 H new ATOM 0 HB2 LYS A 73 -10.847 -2.757 -19.314 1.00 11.14 H new ATOM 0 HB3 LYS A 73 -10.212 -2.081 -20.801 1.00 11.14 H new ATOM 0 HG2 LYS A 73 -12.322 -2.223 -21.577 1.00 60.51 H new ATOM 0 HG3 LYS A 73 -12.008 -3.937 -21.768 1.00 60.51 H new ATOM 0 HD2 LYS A 73 -13.967 -3.962 -20.501 1.00 65.33 H new ATOM 0 HD3 LYS A 73 -12.744 -4.120 -19.256 1.00 65.33 H new ATOM 0 HE2 LYS A 73 -13.268 -2.122 -18.328 1.00 2.54 H new ATOM 0 HE3 LYS A 73 -13.282 -1.308 -19.880 1.00 2.54 H new ATOM 0 HZ1 LYS A 73 -15.457 -1.261 -18.847 1.00 70.23 H new ATOM 0 HZ2 LYS A 73 -15.516 -2.167 -20.281 1.00 70.23 H new ATOM 0 HZ3 LYS A 73 -15.503 -2.957 -18.778 1.00 70.23 H new ATOM 1169 N PHE A 74 -7.812 -3.281 -21.635 1.00 73.11 N ATOM 1170 CA PHE A 74 -6.900 -3.049 -22.748 1.00 44.44 C ATOM 1171 C PHE A 74 -6.084 -4.302 -23.054 1.00 11.41 C ATOM 1172 O PHE A 74 -5.635 -4.503 -24.181 1.00 65.41 O ATOM 1173 CB PHE A 74 -5.963 -1.881 -22.432 1.00 65.10 C ATOM 1174 CG PHE A 74 -5.676 -1.004 -23.617 1.00 54.03 C ATOM 1175 CD1 PHE A 74 -4.609 -1.278 -24.457 1.00 3.32 C ATOM 1176 CD2 PHE A 74 -6.475 0.095 -23.892 1.00 21.34 C ATOM 1177 CE1 PHE A 74 -4.343 -0.473 -25.549 1.00 2.14 C ATOM 1178 CE2 PHE A 74 -6.214 0.903 -24.982 1.00 72.20 C ATOM 1179 CZ PHE A 74 -5.146 0.619 -25.811 1.00 11.52 C ATOM 0 H PHE A 74 -7.526 -2.846 -20.758 1.00 73.11 H new ATOM 0 HA PHE A 74 -7.495 -2.801 -23.627 1.00 44.44 H new ATOM 0 HB2 PHE A 74 -6.405 -1.275 -21.641 1.00 65.10 H new ATOM 0 HB3 PHE A 74 -5.023 -2.274 -22.045 1.00 65.10 H new ATOM 0 HD1 PHE A 74 -3.977 -2.131 -24.256 1.00 3.32 H new ATOM 0 HD2 PHE A 74 -7.311 0.322 -23.247 1.00 21.34 H new ATOM 0 HE1 PHE A 74 -3.508 -0.698 -26.196 1.00 2.14 H new ATOM 0 HE2 PHE A 74 -6.844 1.756 -25.186 1.00 72.20 H new ATOM 0 HZ PHE A 74 -4.940 1.250 -26.663 1.00 11.52 H new ATOM 1189 N GLY A 75 -5.897 -5.141 -22.040 1.00 10.24 N ATOM 1190 CA GLY A 75 -5.136 -6.363 -22.219 1.00 25.12 C ATOM 1191 C GLY A 75 -4.241 -6.668 -21.034 1.00 4.30 C ATOM 1192 O GLY A 75 -4.055 -5.826 -20.155 1.00 34.32 O ATOM 0 H GLY A 75 -6.259 -4.996 -21.098 1.00 10.24 H new ATOM 0 HA2 GLY A 75 -5.822 -7.195 -22.375 1.00 25.12 H new ATOM 0 HA3 GLY A 75 -4.526 -6.279 -23.119 1.00 25.12 H new ATOM 1196 N SER A 76 -3.685 -7.875 -21.009 1.00 1.11 N ATOM 1197 CA SER A 76 -2.809 -8.291 -19.920 1.00 2.31 C ATOM 1198 C SER A 76 -1.345 -8.219 -20.343 1.00 63.52 C ATOM 1199 O SER A 76 -1.021 -8.349 -21.524 1.00 34.32 O ATOM 1200 CB SER A 76 -3.154 -9.713 -19.474 1.00 41.11 C ATOM 1201 OG SER A 76 -3.517 -9.744 -18.105 1.00 20.04 O ATOM 0 H SER A 76 -3.826 -8.582 -21.731 1.00 1.11 H new ATOM 0 HA SER A 76 -2.961 -7.609 -19.083 1.00 2.31 H new ATOM 0 HB2 SER A 76 -3.974 -10.099 -20.080 1.00 41.11 H new ATOM 0 HB3 SER A 76 -2.299 -10.368 -19.642 1.00 41.11 H new ATOM 0 HG SER A 76 -3.734 -10.664 -17.845 1.00 20.04 H new ATOM 1207 N SER A 77 -0.463 -8.012 -19.370 1.00 73.11 N ATOM 1208 CA SER A 77 0.967 -7.919 -19.641 1.00 35.42 C ATOM 1209 C SER A 77 1.774 -8.080 -18.356 1.00 41.44 C ATOM 1210 O SER A 77 1.311 -7.731 -17.270 1.00 61.10 O ATOM 1211 CB SER A 77 1.296 -6.579 -20.300 1.00 44.03 C ATOM 1212 OG SER A 77 1.794 -5.652 -19.351 1.00 24.32 O ATOM 0 H SER A 77 -0.714 -7.906 -18.387 1.00 73.11 H new ATOM 0 HA SER A 77 1.237 -8.726 -20.322 1.00 35.42 H new ATOM 0 HB2 SER A 77 2.034 -6.729 -21.088 1.00 44.03 H new ATOM 0 HB3 SER A 77 0.402 -6.174 -20.774 1.00 44.03 H new ATOM 0 HG SER A 77 1.998 -4.804 -19.798 1.00 24.32 H new ATOM 1218 N LYS A 78 2.985 -8.610 -18.489 1.00 2.32 N ATOM 1219 CA LYS A 78 3.860 -8.816 -17.341 1.00 23.11 C ATOM 1220 C LYS A 78 4.007 -7.532 -16.530 1.00 75.33 C ATOM 1221 O LYS A 78 4.112 -7.570 -15.305 1.00 31.50 O ATOM 1222 CB LYS A 78 5.237 -9.300 -17.803 1.00 53.42 C ATOM 1223 CG LYS A 78 5.357 -10.812 -17.877 1.00 1.12 C ATOM 1224 CD LYS A 78 4.480 -11.388 -18.975 1.00 71.35 C ATOM 1225 CE LYS A 78 4.644 -12.896 -19.086 1.00 61.42 C ATOM 1226 NZ LYS A 78 5.893 -13.267 -19.807 1.00 42.25 N ATOM 0 H LYS A 78 3.383 -8.905 -19.381 1.00 2.32 H new ATOM 0 HA LYS A 78 3.408 -9.577 -16.705 1.00 23.11 H new ATOM 0 HB2 LYS A 78 5.450 -8.879 -18.785 1.00 53.42 H new ATOM 0 HB3 LYS A 78 5.995 -8.917 -17.120 1.00 53.42 H new ATOM 0 HG2 LYS A 78 6.396 -11.087 -18.058 1.00 1.12 H new ATOM 0 HG3 LYS A 78 5.075 -11.248 -16.919 1.00 1.12 H new ATOM 0 HD2 LYS A 78 3.436 -11.148 -18.772 1.00 71.35 H new ATOM 0 HD3 LYS A 78 4.734 -10.922 -19.927 1.00 71.35 H new ATOM 0 HE2 LYS A 78 4.657 -13.334 -18.088 1.00 61.42 H new ATOM 0 HE3 LYS A 78 3.785 -13.317 -19.608 1.00 61.42 H new ATOM 0 HZ1 LYS A 78 5.968 -14.303 -19.861 1.00 42.25 H new ATOM 0 HZ2 LYS A 78 5.870 -12.870 -20.768 1.00 42.25 H new ATOM 0 HZ3 LYS A 78 6.715 -12.887 -19.296 1.00 42.25 H new ATOM 1240 N GLU A 79 4.011 -6.398 -17.223 1.00 13.40 N ATOM 1241 CA GLU A 79 4.143 -5.103 -16.566 1.00 3.33 C ATOM 1242 C GLU A 79 2.922 -4.804 -15.701 1.00 0.11 C ATOM 1243 O GLU A 79 3.051 -4.363 -14.558 1.00 55.35 O ATOM 1244 CB GLU A 79 4.329 -3.995 -17.605 1.00 23.11 C ATOM 1245 CG GLU A 79 5.776 -3.567 -17.785 1.00 51.44 C ATOM 1246 CD GLU A 79 6.517 -4.423 -18.794 1.00 34.22 C ATOM 1247 OE1 GLU A 79 6.283 -5.650 -18.816 1.00 42.34 O ATOM 1248 OE2 GLU A 79 7.330 -3.866 -19.561 1.00 33.21 O ATOM 0 H GLU A 79 3.924 -6.350 -18.238 1.00 13.40 H new ATOM 0 HA GLU A 79 5.022 -5.139 -15.923 1.00 3.33 H new ATOM 0 HB2 GLU A 79 3.938 -4.338 -18.563 1.00 23.11 H new ATOM 0 HB3 GLU A 79 3.737 -3.129 -17.310 1.00 23.11 H new ATOM 0 HG2 GLU A 79 5.806 -2.526 -18.106 1.00 51.44 H new ATOM 0 HG3 GLU A 79 6.288 -3.619 -16.824 1.00 51.44 H new ATOM 1255 N ILE A 80 1.739 -5.047 -16.254 1.00 52.14 N ATOM 1256 CA ILE A 80 0.495 -4.805 -15.534 1.00 51.42 C ATOM 1257 C ILE A 80 0.349 -5.758 -14.353 1.00 10.10 C ATOM 1258 O ILE A 80 0.229 -5.327 -13.206 1.00 31.42 O ATOM 1259 CB ILE A 80 -0.729 -4.957 -16.457 1.00 23.41 C ATOM 1260 CG1 ILE A 80 -0.621 -4.000 -17.645 1.00 53.24 C ATOM 1261 CG2 ILE A 80 -2.012 -4.705 -15.680 1.00 54.44 C ATOM 1262 CD1 ILE A 80 -1.553 -4.345 -18.786 1.00 13.03 C ATOM 0 H ILE A 80 1.616 -5.411 -17.199 1.00 52.14 H new ATOM 0 HA ILE A 80 0.537 -3.780 -15.167 1.00 51.42 H new ATOM 0 HB ILE A 80 -0.754 -5.978 -16.839 1.00 23.41 H new ATOM 0 HG12 ILE A 80 -0.835 -2.987 -17.305 1.00 53.24 H new ATOM 0 HG13 ILE A 80 0.406 -4.003 -18.011 1.00 53.24 H new ATOM 0 HG21 ILE A 80 -2.868 -4.816 -16.345 1.00 54.44 H new ATOM 0 HG22 ILE A 80 -2.091 -5.424 -14.865 1.00 54.44 H new ATOM 0 HG23 ILE A 80 -1.998 -3.694 -15.272 1.00 54.44 H new ATOM 0 HD11 ILE A 80 -1.422 -3.624 -19.593 1.00 13.03 H new ATOM 0 HD12 ILE A 80 -1.325 -5.346 -19.152 1.00 13.03 H new ATOM 0 HD13 ILE A 80 -2.585 -4.314 -18.435 1.00 13.03 H new ATOM 1274 N ASP A 81 0.362 -7.055 -14.641 1.00 51.43 N ATOM 1275 CA ASP A 81 0.234 -8.070 -13.603 1.00 31.14 C ATOM 1276 C ASP A 81 1.246 -7.835 -12.485 1.00 74.13 C ATOM 1277 O ASP A 81 0.967 -8.100 -11.316 1.00 74.24 O ATOM 1278 CB ASP A 81 0.427 -9.466 -14.197 1.00 45.25 C ATOM 1279 CG ASP A 81 -0.814 -10.326 -14.071 1.00 31.53 C ATOM 1280 OD1 ASP A 81 -1.878 -9.911 -14.576 1.00 3.22 O ATOM 1281 OD2 ASP A 81 -0.722 -11.415 -13.466 1.00 35.43 O ATOM 0 H ASP A 81 0.460 -7.428 -15.585 1.00 51.43 H new ATOM 0 HA ASP A 81 -0.769 -7.999 -13.182 1.00 31.14 H new ATOM 0 HB2 ASP A 81 0.697 -9.376 -15.249 1.00 45.25 H new ATOM 0 HB3 ASP A 81 1.260 -9.959 -13.695 1.00 45.25 H new ATOM 1286 N MET A 82 2.421 -7.337 -12.854 1.00 24.03 N ATOM 1287 CA MET A 82 3.475 -7.066 -11.882 1.00 35.41 C ATOM 1288 C MET A 82 3.103 -5.885 -10.992 1.00 54.41 C ATOM 1289 O MET A 82 3.210 -5.959 -9.769 1.00 5.05 O ATOM 1290 CB MET A 82 4.798 -6.785 -12.597 1.00 34.12 C ATOM 1291 CG MET A 82 5.943 -6.462 -11.651 1.00 32.21 C ATOM 1292 SD MET A 82 7.560 -6.770 -12.387 1.00 54.23 S ATOM 1293 CE MET A 82 7.563 -8.559 -12.461 1.00 61.43 C ATOM 0 H MET A 82 2.668 -7.113 -13.818 1.00 24.03 H new ATOM 0 HA MET A 82 3.591 -7.949 -11.253 1.00 35.41 H new ATOM 0 HB2 MET A 82 5.068 -7.653 -13.198 1.00 34.12 H new ATOM 0 HB3 MET A 82 4.660 -5.951 -13.285 1.00 34.12 H new ATOM 0 HG2 MET A 82 5.878 -5.416 -11.352 1.00 32.21 H new ATOM 0 HG3 MET A 82 5.841 -7.060 -10.745 1.00 32.21 H new ATOM 0 HE1 MET A 82 8.591 -8.921 -12.477 1.00 61.43 H new ATOM 0 HE2 MET A 82 7.051 -8.960 -11.586 1.00 61.43 H new ATOM 0 HE3 MET A 82 7.049 -8.887 -13.364 1.00 61.43 H new ATOM 1303 N ALA A 83 2.665 -4.795 -11.615 1.00 70.31 N ATOM 1304 CA ALA A 83 2.276 -3.599 -10.879 1.00 52.21 C ATOM 1305 C ALA A 83 1.258 -3.929 -9.793 1.00 21.44 C ATOM 1306 O ALA A 83 1.319 -3.390 -8.687 1.00 62.13 O ATOM 1307 CB ALA A 83 1.714 -2.553 -11.831 1.00 33.21 C ATOM 0 H ALA A 83 2.571 -4.716 -12.628 1.00 70.31 H new ATOM 0 HA ALA A 83 3.165 -3.195 -10.396 1.00 52.21 H new ATOM 0 HB1 ALA A 83 1.427 -1.665 -11.268 1.00 33.21 H new ATOM 0 HB2 ALA A 83 2.472 -2.287 -12.568 1.00 33.21 H new ATOM 0 HB3 ALA A 83 0.839 -2.957 -12.341 1.00 33.21 H new ATOM 1313 N ILE A 84 0.324 -4.817 -10.114 1.00 74.43 N ATOM 1314 CA ILE A 84 -0.707 -5.219 -9.165 1.00 23.32 C ATOM 1315 C ILE A 84 -0.111 -6.028 -8.017 1.00 74.12 C ATOM 1316 O ILE A 84 -0.372 -5.750 -6.847 1.00 2.24 O ATOM 1317 CB ILE A 84 -1.808 -6.052 -9.848 1.00 2.13 C ATOM 1318 CG1 ILE A 84 -2.366 -5.303 -11.060 1.00 30.14 C ATOM 1319 CG2 ILE A 84 -2.919 -6.374 -8.859 1.00 44.51 C ATOM 1320 CD1 ILE A 84 -2.932 -3.942 -10.721 1.00 35.13 C ATOM 0 H ILE A 84 0.260 -5.272 -11.024 1.00 74.43 H new ATOM 0 HA ILE A 84 -1.148 -4.303 -8.771 1.00 23.32 H new ATOM 0 HB ILE A 84 -1.373 -6.990 -10.193 1.00 2.13 H new ATOM 0 HG12 ILE A 84 -1.574 -5.184 -11.800 1.00 30.14 H new ATOM 0 HG13 ILE A 84 -3.146 -5.907 -11.523 1.00 30.14 H new ATOM 0 HG21 ILE A 84 -3.690 -6.963 -9.356 1.00 44.51 H new ATOM 0 HG22 ILE A 84 -2.510 -6.943 -8.024 1.00 44.51 H new ATOM 0 HG23 ILE A 84 -3.355 -5.447 -8.487 1.00 44.51 H new ATOM 0 HD11 ILE A 84 -3.309 -3.469 -11.628 1.00 35.13 H new ATOM 0 HD12 ILE A 84 -3.746 -4.055 -10.005 1.00 35.13 H new ATOM 0 HD13 ILE A 84 -2.149 -3.320 -10.286 1.00 35.13 H new ATOM 1332 N VAL A 85 0.691 -7.030 -8.361 1.00 22.51 N ATOM 1333 CA VAL A 85 1.327 -7.879 -7.360 1.00 12.43 C ATOM 1334 C VAL A 85 2.178 -7.054 -6.401 1.00 1.20 C ATOM 1335 O VAL A 85 2.085 -7.205 -5.182 1.00 54.43 O ATOM 1336 CB VAL A 85 2.210 -8.956 -8.016 1.00 63.20 C ATOM 1337 CG1 VAL A 85 2.888 -9.810 -6.955 1.00 74.43 C ATOM 1338 CG2 VAL A 85 1.386 -9.818 -8.960 1.00 72.11 C ATOM 0 H VAL A 85 0.916 -7.274 -9.325 1.00 22.51 H new ATOM 0 HA VAL A 85 0.526 -8.366 -6.804 1.00 12.43 H new ATOM 0 HB VAL A 85 2.986 -8.460 -8.599 1.00 63.20 H new ATOM 0 HG11 VAL A 85 3.508 -10.566 -7.438 1.00 74.43 H new ATOM 0 HG12 VAL A 85 3.512 -9.178 -6.323 1.00 74.43 H new ATOM 0 HG13 VAL A 85 2.130 -10.299 -6.343 1.00 74.43 H new ATOM 0 HG21 VAL A 85 2.026 -10.574 -9.415 1.00 72.11 H new ATOM 0 HG22 VAL A 85 0.587 -10.307 -8.402 1.00 72.11 H new ATOM 0 HG23 VAL A 85 0.953 -9.192 -9.740 1.00 72.11 H new ATOM 1348 N THR A 86 3.010 -6.179 -6.959 1.00 75.31 N ATOM 1349 CA THR A 86 3.879 -5.330 -6.154 1.00 74.05 C ATOM 1350 C THR A 86 3.068 -4.470 -5.191 1.00 44.14 C ATOM 1351 O THR A 86 3.400 -4.362 -4.010 1.00 51.10 O ATOM 1352 CB THR A 86 4.744 -4.413 -7.039 1.00 64.54 C ATOM 1353 OG1 THR A 86 3.910 -3.649 -7.917 1.00 70.30 O ATOM 1354 CG2 THR A 86 5.736 -5.229 -7.856 1.00 54.21 C ATOM 0 H THR A 86 3.100 -6.040 -7.966 1.00 75.31 H new ATOM 0 HA THR A 86 4.530 -5.993 -5.585 1.00 74.05 H new ATOM 0 HB THR A 86 5.300 -3.738 -6.389 1.00 64.54 H new ATOM 0 HG1 THR A 86 3.588 -4.222 -8.643 1.00 70.30 H new ATOM 0 HG21 THR A 86 6.336 -4.560 -8.473 1.00 54.21 H new ATOM 0 HG22 THR A 86 6.389 -5.786 -7.184 1.00 54.21 H new ATOM 0 HG23 THR A 86 5.194 -5.925 -8.496 1.00 54.21 H new ATOM 1362 N LEU A 87 2.005 -3.860 -5.702 1.00 52.33 N ATOM 1363 CA LEU A 87 1.146 -3.009 -4.886 1.00 54.45 C ATOM 1364 C LEU A 87 0.555 -3.791 -3.718 1.00 25.32 C ATOM 1365 O LEU A 87 0.354 -3.248 -2.631 1.00 73.43 O ATOM 1366 CB LEU A 87 0.021 -2.418 -5.739 1.00 62.33 C ATOM 1367 CG LEU A 87 0.402 -1.231 -6.624 1.00 5.22 C ATOM 1368 CD1 LEU A 87 -0.791 -0.774 -7.448 1.00 33.01 C ATOM 1369 CD2 LEU A 87 0.938 -0.085 -5.777 1.00 60.31 C ATOM 0 H LEU A 87 1.717 -3.939 -6.677 1.00 52.33 H new ATOM 0 HA LEU A 87 1.755 -2.199 -4.486 1.00 54.45 H new ATOM 0 HB2 LEU A 87 -0.377 -3.207 -6.376 1.00 62.33 H new ATOM 0 HB3 LEU A 87 -0.786 -2.106 -5.075 1.00 62.33 H new ATOM 0 HG LEU A 87 1.188 -1.550 -7.308 1.00 5.22 H new ATOM 0 HD11 LEU A 87 -0.500 0.072 -8.071 1.00 33.01 H new ATOM 0 HD12 LEU A 87 -1.130 -1.593 -8.082 1.00 33.01 H new ATOM 0 HD13 LEU A 87 -1.599 -0.473 -6.782 1.00 33.01 H new ATOM 0 HD21 LEU A 87 1.204 0.751 -6.423 1.00 60.31 H new ATOM 0 HD22 LEU A 87 0.173 0.233 -5.069 1.00 60.31 H new ATOM 0 HD23 LEU A 87 1.821 -0.418 -5.232 1.00 60.31 H new ATOM 1381 N LYS A 88 0.282 -5.071 -3.947 1.00 64.25 N ATOM 1382 CA LYS A 88 -0.281 -5.931 -2.914 1.00 32.33 C ATOM 1383 C LYS A 88 0.743 -6.206 -1.817 1.00 15.02 C ATOM 1384 O LYS A 88 0.533 -5.853 -0.656 1.00 45.21 O ATOM 1385 CB LYS A 88 -0.758 -7.252 -3.524 1.00 4.54 C ATOM 1386 CG LYS A 88 -2.269 -7.403 -3.542 1.00 2.32 C ATOM 1387 CD LYS A 88 -2.849 -7.040 -4.899 1.00 32.34 C ATOM 1388 CE LYS A 88 -4.201 -6.356 -4.762 1.00 5.21 C ATOM 1389 NZ LYS A 88 -5.100 -6.670 -5.907 1.00 4.32 N ATOM 0 H LYS A 88 0.442 -5.536 -4.841 1.00 64.25 H new ATOM 0 HA LYS A 88 -1.132 -5.414 -2.471 1.00 32.33 H new ATOM 0 HB2 LYS A 88 -0.381 -7.328 -4.544 1.00 4.54 H new ATOM 0 HB3 LYS A 88 -0.325 -8.079 -2.962 1.00 4.54 H new ATOM 0 HG2 LYS A 88 -2.536 -8.430 -3.294 1.00 2.32 H new ATOM 0 HG3 LYS A 88 -2.709 -6.765 -2.775 1.00 2.32 H new ATOM 0 HD2 LYS A 88 -2.159 -6.382 -5.427 1.00 32.34 H new ATOM 0 HD3 LYS A 88 -2.955 -7.941 -5.503 1.00 32.34 H new ATOM 0 HE2 LYS A 88 -4.674 -6.670 -3.832 1.00 5.21 H new ATOM 0 HE3 LYS A 88 -4.058 -5.277 -4.698 1.00 5.21 H new ATOM 0 HZ1 LYS A 88 -6.011 -6.185 -5.776 1.00 4.32 H new ATOM 0 HZ2 LYS A 88 -4.660 -6.347 -6.792 1.00 4.32 H new ATOM 0 HZ3 LYS A 88 -5.258 -7.697 -5.953 1.00 4.32 H new ATOM 1403 N VAL A 89 1.851 -6.837 -2.192 1.00 74.12 N ATOM 1404 CA VAL A 89 2.908 -7.157 -1.241 1.00 1.44 C ATOM 1405 C VAL A 89 3.342 -5.918 -0.465 1.00 31.02 C ATOM 1406 O VAL A 89 3.586 -5.981 0.740 1.00 23.13 O ATOM 1407 CB VAL A 89 4.135 -7.762 -1.948 1.00 3.12 C ATOM 1408 CG1 VAL A 89 3.820 -9.157 -2.464 1.00 72.33 C ATOM 1409 CG2 VAL A 89 4.597 -6.857 -3.080 1.00 63.10 C ATOM 0 H VAL A 89 2.040 -7.137 -3.149 1.00 74.12 H new ATOM 0 HA VAL A 89 2.499 -7.892 -0.548 1.00 1.44 H new ATOM 0 HB VAL A 89 4.946 -7.843 -1.225 1.00 3.12 H new ATOM 0 HG11 VAL A 89 4.699 -9.568 -2.961 1.00 72.33 H new ATOM 0 HG12 VAL A 89 3.541 -9.799 -1.629 1.00 72.33 H new ATOM 0 HG13 VAL A 89 2.994 -9.105 -3.173 1.00 72.33 H new ATOM 0 HG21 VAL A 89 5.465 -7.300 -3.569 1.00 63.10 H new ATOM 0 HG22 VAL A 89 3.792 -6.742 -3.805 1.00 63.10 H new ATOM 0 HG23 VAL A 89 4.866 -5.880 -2.678 1.00 63.10 H new ATOM 1419 N PHE A 90 3.435 -4.792 -1.163 1.00 42.55 N ATOM 1420 CA PHE A 90 3.840 -3.537 -0.540 1.00 42.24 C ATOM 1421 C PHE A 90 2.735 -2.995 0.361 1.00 35.51 C ATOM 1422 O PHE A 90 3.005 -2.362 1.381 1.00 31.31 O ATOM 1423 CB PHE A 90 4.193 -2.502 -1.611 1.00 4.03 C ATOM 1424 CG PHE A 90 4.414 -1.122 -1.061 1.00 1.14 C ATOM 1425 CD1 PHE A 90 5.191 -0.929 0.070 1.00 4.31 C ATOM 1426 CD2 PHE A 90 3.845 -0.018 -1.674 1.00 50.13 C ATOM 1427 CE1 PHE A 90 5.395 0.340 0.579 1.00 43.02 C ATOM 1428 CE2 PHE A 90 4.046 1.254 -1.170 1.00 72.55 C ATOM 1429 CZ PHE A 90 4.823 1.433 -0.043 1.00 31.41 C ATOM 0 H PHE A 90 3.235 -4.722 -2.161 1.00 42.55 H new ATOM 0 HA PHE A 90 4.721 -3.732 0.072 1.00 42.24 H new ATOM 0 HB2 PHE A 90 5.093 -2.825 -2.134 1.00 4.03 H new ATOM 0 HB3 PHE A 90 3.391 -2.466 -2.349 1.00 4.03 H new ATOM 0 HD1 PHE A 90 5.642 -1.779 0.559 1.00 4.31 H new ATOM 0 HD2 PHE A 90 3.237 -0.152 -2.556 1.00 50.13 H new ATOM 0 HE1 PHE A 90 6.001 0.477 1.462 1.00 43.02 H new ATOM 0 HE2 PHE A 90 3.596 2.106 -1.657 1.00 72.55 H new ATOM 0 HZ PHE A 90 4.983 2.425 0.352 1.00 31.41 H new ATOM 1439 N ALA A 91 1.488 -3.249 -0.024 1.00 21.42 N ATOM 1440 CA ALA A 91 0.341 -2.790 0.749 1.00 1.53 C ATOM 1441 C ALA A 91 0.279 -3.485 2.105 1.00 14.21 C ATOM 1442 O ALA A 91 0.062 -2.844 3.133 1.00 14.35 O ATOM 1443 CB ALA A 91 -0.947 -3.024 -0.026 1.00 64.43 C ATOM 0 H ALA A 91 1.247 -3.770 -0.867 1.00 21.42 H new ATOM 0 HA ALA A 91 0.457 -1.720 0.923 1.00 1.53 H new ATOM 0 HB1 ALA A 91 -1.795 -2.676 0.564 1.00 64.43 H new ATOM 0 HB2 ALA A 91 -0.910 -2.475 -0.967 1.00 64.43 H new ATOM 0 HB3 ALA A 91 -1.060 -4.089 -0.231 1.00 64.43 H new ATOM 1449 N VAL A 92 0.469 -4.800 2.100 1.00 64.32 N ATOM 1450 CA VAL A 92 0.435 -5.583 3.330 1.00 50.25 C ATOM 1451 C VAL A 92 1.751 -5.469 4.090 1.00 23.31 C ATOM 1452 O VAL A 92 1.781 -5.026 5.238 1.00 53.35 O ATOM 1453 CB VAL A 92 0.147 -7.068 3.042 1.00 64.33 C ATOM 1454 CG1 VAL A 92 -0.076 -7.830 4.339 1.00 22.31 C ATOM 1455 CG2 VAL A 92 -1.053 -7.209 2.118 1.00 40.01 C ATOM 0 H VAL A 92 0.648 -5.346 1.257 1.00 64.32 H new ATOM 0 HA VAL A 92 -0.370 -5.177 3.942 1.00 50.25 H new ATOM 0 HB VAL A 92 1.014 -7.497 2.541 1.00 64.33 H new ATOM 0 HG11 VAL A 92 -0.278 -8.878 4.115 1.00 22.31 H new ATOM 0 HG12 VAL A 92 0.816 -7.757 4.962 1.00 22.31 H new ATOM 0 HG13 VAL A 92 -0.926 -7.402 4.871 1.00 22.31 H new ATOM 0 HG21 VAL A 92 -1.242 -8.265 1.925 1.00 40.01 H new ATOM 0 HG22 VAL A 92 -1.929 -6.764 2.589 1.00 40.01 H new ATOM 0 HG23 VAL A 92 -0.849 -6.699 1.176 1.00 40.01 H new ATOM 1465 N ALA A 93 2.839 -5.873 3.442 1.00 23.14 N ATOM 1466 CA ALA A 93 4.160 -5.814 4.057 1.00 71.55 C ATOM 1467 C ALA A 93 4.517 -4.387 4.456 1.00 52.44 C ATOM 1468 O ALA A 93 5.373 -4.166 5.311 1.00 34.45 O ATOM 1469 CB ALA A 93 5.208 -6.377 3.108 1.00 24.44 C ATOM 0 H ALA A 93 2.832 -6.244 2.492 1.00 23.14 H new ATOM 0 HA ALA A 93 4.140 -6.421 4.962 1.00 71.55 H new ATOM 0 HB1 ALA A 93 6.190 -6.327 3.579 1.00 24.44 H new ATOM 0 HB2 ALA A 93 4.969 -7.415 2.876 1.00 24.44 H new ATOM 0 HB3 ALA A 93 5.217 -5.793 2.188 1.00 24.44 H new ATOM 1475 N GLY A 94 3.855 -3.419 3.829 1.00 41.45 N ATOM 1476 CA GLY A 94 4.118 -2.024 4.132 1.00 53.15 C ATOM 1477 C GLY A 94 3.154 -1.462 5.158 1.00 22.32 C ATOM 1478 O GLY A 94 3.535 -1.202 6.300 1.00 13.53 O ATOM 0 H GLY A 94 3.142 -3.576 3.117 1.00 41.45 H new ATOM 0 HA2 GLY A 94 5.138 -1.922 4.502 1.00 53.15 H new ATOM 0 HA3 GLY A 94 4.051 -1.437 3.216 1.00 53.15 H new ATOM 1482 N LEU A 95 1.904 -1.274 4.752 1.00 15.42 N ATOM 1483 CA LEU A 95 0.882 -0.737 5.645 1.00 60.20 C ATOM 1484 C LEU A 95 0.690 -1.641 6.859 1.00 63.25 C ATOM 1485 O LEU A 95 0.683 -1.175 7.999 1.00 55.24 O ATOM 1486 CB LEU A 95 -0.444 -0.579 4.898 1.00 4.44 C ATOM 1487 CG LEU A 95 -0.360 0.058 3.511 1.00 54.33 C ATOM 1488 CD1 LEU A 95 -1.744 0.168 2.890 1.00 53.21 C ATOM 1489 CD2 LEU A 95 0.301 1.427 3.591 1.00 74.43 C ATOM 0 H LEU A 95 1.573 -1.485 3.811 1.00 15.42 H new ATOM 0 HA LEU A 95 1.215 0.241 5.992 1.00 60.20 H new ATOM 0 HB2 LEU A 95 -0.901 -1.564 4.797 1.00 4.44 H new ATOM 0 HB3 LEU A 95 -1.115 0.022 5.512 1.00 4.44 H new ATOM 0 HG LEU A 95 0.252 -0.582 2.875 1.00 54.33 H new ATOM 0 HD11 LEU A 95 -1.665 0.624 1.903 1.00 53.21 H new ATOM 0 HD12 LEU A 95 -2.181 -0.826 2.797 1.00 53.21 H new ATOM 0 HD13 LEU A 95 -2.380 0.785 3.525 1.00 53.21 H new ATOM 0 HD21 LEU A 95 0.352 1.865 2.594 1.00 74.43 H new ATOM 0 HD22 LEU A 95 -0.284 2.076 4.243 1.00 74.43 H new ATOM 0 HD23 LEU A 95 1.309 1.322 3.993 1.00 74.43 H new ATOM 1501 N LEU A 96 0.538 -2.937 6.606 1.00 11.55 N ATOM 1502 CA LEU A 96 0.349 -3.908 7.679 1.00 54.54 C ATOM 1503 C LEU A 96 1.687 -4.320 8.282 1.00 23.30 C ATOM 1504 O LEU A 96 1.741 -5.147 9.192 1.00 54.42 O ATOM 1505 CB LEU A 96 -0.388 -5.140 7.153 1.00 75.34 C ATOM 1506 CG LEU A 96 -1.600 -5.596 7.966 1.00 14.22 C ATOM 1507 CD1 LEU A 96 -2.864 -4.912 7.470 1.00 55.45 C ATOM 1508 CD2 LEU A 96 -1.749 -7.109 7.900 1.00 53.31 C ATOM 0 H LEU A 96 0.542 -3.339 5.669 1.00 11.55 H new ATOM 0 HA LEU A 96 -0.250 -3.439 8.459 1.00 54.54 H new ATOM 0 HB2 LEU A 96 -0.716 -4.935 6.134 1.00 75.34 H new ATOM 0 HB3 LEU A 96 0.320 -5.967 7.100 1.00 75.34 H new ATOM 0 HG LEU A 96 -1.442 -5.312 9.006 1.00 14.22 H new ATOM 0 HD11 LEU A 96 -3.716 -5.249 8.061 1.00 55.45 H new ATOM 0 HD12 LEU A 96 -2.757 -3.832 7.571 1.00 55.45 H new ATOM 0 HD13 LEU A 96 -3.027 -5.164 6.422 1.00 55.45 H new ATOM 0 HD21 LEU A 96 -2.617 -7.415 8.484 1.00 53.31 H new ATOM 0 HD22 LEU A 96 -1.883 -7.416 6.863 1.00 53.31 H new ATOM 0 HD23 LEU A 96 -0.854 -7.581 8.305 1.00 53.31 H new ATOM 1520 N ASN A 97 2.766 -3.737 7.770 1.00 63.30 N ATOM 1521 CA ASN A 97 4.106 -4.043 8.260 1.00 75.44 C ATOM 1522 C ASN A 97 4.350 -5.549 8.269 1.00 23.31 C ATOM 1523 O ASN A 97 5.107 -6.060 9.094 1.00 21.02 O ATOM 1524 CB ASN A 97 4.299 -3.475 9.667 1.00 72.10 C ATOM 1525 CG ASN A 97 5.628 -2.761 9.825 1.00 74.42 C ATOM 1526 OD1 ASN A 97 5.887 -1.756 9.163 1.00 22.14 O ATOM 1527 ND2 ASN A 97 6.477 -3.280 10.704 1.00 14.15 N ATOM 0 H ASN A 97 2.739 -3.050 7.016 1.00 63.30 H new ATOM 0 HA ASN A 97 4.827 -3.580 7.587 1.00 75.44 H new ATOM 0 HB2 ASN A 97 3.488 -2.781 9.890 1.00 72.10 H new ATOM 0 HB3 ASN A 97 4.236 -4.284 10.394 1.00 72.10 H new ATOM 0 HD21 ASN A 97 7.387 -2.844 10.853 1.00 14.15 H new ATOM 0 HD22 ASN A 97 6.219 -4.115 11.231 1.00 14.15 H new ATOM 1534 N MET A 98 3.705 -6.254 7.346 1.00 53.04 N ATOM 1535 CA MET A 98 3.854 -7.701 7.247 1.00 72.35 C ATOM 1536 C MET A 98 5.225 -8.070 6.689 1.00 51.44 C ATOM 1537 O MET A 98 5.975 -7.205 6.234 1.00 31.01 O ATOM 1538 CB MET A 98 2.755 -8.289 6.360 1.00 74.24 C ATOM 1539 CG MET A 98 1.720 -9.096 7.128 1.00 41.52 C ATOM 1540 SD MET A 98 2.085 -10.861 7.140 1.00 21.23 S ATOM 1541 CE MET A 98 2.632 -11.082 8.832 1.00 73.14 C ATOM 0 H MET A 98 3.074 -5.847 6.656 1.00 53.04 H new ATOM 0 HA MET A 98 3.765 -8.119 8.250 1.00 72.35 H new ATOM 0 HB2 MET A 98 2.253 -7.478 5.832 1.00 74.24 H new ATOM 0 HB3 MET A 98 3.212 -8.927 5.603 1.00 74.24 H new ATOM 0 HG2 MET A 98 1.670 -8.732 8.154 1.00 41.52 H new ATOM 0 HG3 MET A 98 0.737 -8.935 6.685 1.00 41.52 H new ATOM 0 HE1 MET A 98 2.895 -12.127 8.996 1.00 73.14 H new ATOM 0 HE2 MET A 98 3.504 -10.455 9.017 1.00 73.14 H new ATOM 0 HE3 MET A 98 1.830 -10.798 9.514 1.00 73.14 H new ATOM 1551 N THR A 99 5.547 -9.359 6.726 1.00 4.11 N ATOM 1552 CA THR A 99 6.829 -9.841 6.226 1.00 75.11 C ATOM 1553 C THR A 99 6.638 -10.992 5.244 1.00 13.25 C ATOM 1554 O THR A 99 7.293 -12.028 5.352 1.00 22.23 O ATOM 1555 CB THR A 99 7.741 -10.308 7.376 1.00 71.12 C ATOM 1556 OG1 THR A 99 7.166 -11.447 8.026 1.00 54.20 O ATOM 1557 CG2 THR A 99 7.950 -9.192 8.388 1.00 41.11 C ATOM 0 H THR A 99 4.938 -10.088 7.097 1.00 4.11 H new ATOM 0 HA THR A 99 7.303 -9.004 5.713 1.00 75.11 H new ATOM 0 HB THR A 99 8.709 -10.581 6.955 1.00 71.12 H new ATOM 0 HG1 THR A 99 7.112 -12.193 7.392 1.00 54.20 H new ATOM 0 HG21 THR A 99 8.597 -9.545 9.191 1.00 41.11 H new ATOM 0 HG22 THR A 99 8.415 -8.337 7.896 1.00 41.11 H new ATOM 0 HG23 THR A 99 6.988 -8.892 8.803 1.00 41.11 H new ATOM 1565 N VAL A 100 5.736 -10.803 4.286 1.00 10.12 N ATOM 1566 CA VAL A 100 5.460 -11.825 3.284 1.00 61.03 C ATOM 1567 C VAL A 100 6.588 -11.911 2.262 1.00 40.13 C ATOM 1568 O VAL A 100 6.899 -10.933 1.581 1.00 32.23 O ATOM 1569 CB VAL A 100 4.136 -11.547 2.548 1.00 13.13 C ATOM 1570 CG1 VAL A 100 2.953 -11.744 3.485 1.00 42.15 C ATOM 1571 CG2 VAL A 100 4.136 -10.142 1.964 1.00 32.15 C ATOM 0 H VAL A 100 5.184 -9.951 4.183 1.00 10.12 H new ATOM 0 HA VAL A 100 5.380 -12.774 3.814 1.00 61.03 H new ATOM 0 HB VAL A 100 4.041 -12.257 1.727 1.00 13.13 H new ATOM 0 HG11 VAL A 100 2.026 -11.543 2.948 1.00 42.15 H new ATOM 0 HG12 VAL A 100 2.945 -12.771 3.851 1.00 42.15 H new ATOM 0 HG13 VAL A 100 3.039 -11.059 4.329 1.00 42.15 H new ATOM 0 HG21 VAL A 100 3.193 -9.963 1.448 1.00 32.15 H new ATOM 0 HG22 VAL A 100 4.254 -9.414 2.767 1.00 32.15 H new ATOM 0 HG23 VAL A 100 4.961 -10.041 1.259 1.00 32.15 H new ATOM 1581 N SER A 101 7.198 -13.088 2.159 1.00 54.53 N ATOM 1582 CA SER A 101 8.294 -13.301 1.221 1.00 2.14 C ATOM 1583 C SER A 101 7.795 -13.970 -0.055 1.00 70.54 C ATOM 1584 O SER A 101 8.580 -14.505 -0.839 1.00 45.42 O ATOM 1585 CB SER A 101 9.385 -14.157 1.867 1.00 63.32 C ATOM 1586 OG SER A 101 10.285 -13.358 2.614 1.00 25.04 O ATOM 0 H SER A 101 6.952 -13.908 2.713 1.00 54.53 H new ATOM 0 HA SER A 101 8.711 -12.328 0.960 1.00 2.14 H new ATOM 0 HB2 SER A 101 8.929 -14.902 2.519 1.00 63.32 H new ATOM 0 HB3 SER A 101 9.930 -14.700 1.095 1.00 63.32 H new ATOM 0 HG SER A 101 10.929 -13.935 3.075 1.00 25.04 H new ATOM 1592 N THR A 102 6.481 -13.938 -0.259 1.00 25.04 N ATOM 1593 CA THR A 102 5.875 -14.542 -1.438 1.00 45.15 C ATOM 1594 C THR A 102 4.662 -13.745 -1.902 1.00 54.21 C ATOM 1595 O THR A 102 3.742 -13.488 -1.126 1.00 21.54 O ATOM 1596 CB THR A 102 5.447 -15.997 -1.168 1.00 4.40 C ATOM 1597 OG1 THR A 102 4.278 -16.018 -0.341 1.00 44.43 O ATOM 1598 CG2 THR A 102 6.567 -16.773 -0.492 1.00 30.33 C ATOM 0 H THR A 102 5.816 -13.499 0.378 1.00 25.04 H new ATOM 0 HA THR A 102 6.633 -14.534 -2.221 1.00 45.15 H new ATOM 0 HB THR A 102 5.224 -16.471 -2.124 1.00 4.40 H new ATOM 0 HG1 THR A 102 4.011 -16.946 -0.175 1.00 44.43 H new ATOM 0 HG21 THR A 102 6.242 -17.798 -0.311 1.00 30.33 H new ATOM 0 HG22 THR A 102 7.446 -16.779 -1.137 1.00 30.33 H new ATOM 0 HG23 THR A 102 6.817 -16.299 0.457 1.00 30.33 H new ATOM 1606 N ALA A 103 4.665 -13.356 -3.173 1.00 2.11 N ATOM 1607 CA ALA A 103 3.562 -12.590 -3.741 1.00 24.15 C ATOM 1608 C ALA A 103 2.232 -13.303 -3.527 1.00 34.31 C ATOM 1609 O ALA A 103 1.179 -12.669 -3.469 1.00 11.43 O ATOM 1610 CB ALA A 103 3.799 -12.343 -5.223 1.00 62.31 C ATOM 0 H ALA A 103 5.419 -13.559 -3.829 1.00 2.11 H new ATOM 0 HA ALA A 103 3.516 -11.630 -3.227 1.00 24.15 H new ATOM 0 HB1 ALA A 103 2.968 -11.770 -5.634 1.00 62.31 H new ATOM 0 HB2 ALA A 103 4.725 -11.784 -5.355 1.00 62.31 H new ATOM 0 HB3 ALA A 103 3.874 -13.298 -5.744 1.00 62.31 H new ATOM 1616 N ALA A 104 2.286 -14.626 -3.412 1.00 23.14 N ATOM 1617 CA ALA A 104 1.085 -15.425 -3.203 1.00 61.12 C ATOM 1618 C ALA A 104 0.508 -15.195 -1.811 1.00 33.43 C ATOM 1619 O ALA A 104 -0.704 -15.053 -1.646 1.00 64.34 O ATOM 1620 CB ALA A 104 1.390 -16.901 -3.414 1.00 13.14 C ATOM 0 H ALA A 104 3.149 -15.167 -3.460 1.00 23.14 H new ATOM 0 HA ALA A 104 0.338 -15.112 -3.933 1.00 61.12 H new ATOM 0 HB1 ALA A 104 0.484 -17.486 -3.255 1.00 13.14 H new ATOM 0 HB2 ALA A 104 1.748 -17.057 -4.432 1.00 13.14 H new ATOM 0 HB3 ALA A 104 2.156 -17.219 -2.707 1.00 13.14 H new ATOM 1626 N ALA A 105 1.382 -15.161 -0.811 1.00 5.12 N ATOM 1627 CA ALA A 105 0.959 -14.947 0.568 1.00 61.25 C ATOM 1628 C ALA A 105 0.385 -13.547 0.755 1.00 42.23 C ATOM 1629 O ALA A 105 -0.581 -13.355 1.492 1.00 21.35 O ATOM 1630 CB ALA A 105 2.125 -15.173 1.519 1.00 71.42 C ATOM 0 H ALA A 105 2.388 -15.279 -0.930 1.00 5.12 H new ATOM 0 HA ALA A 105 0.173 -15.667 0.797 1.00 61.25 H new ATOM 0 HB1 ALA A 105 1.795 -15.010 2.545 1.00 71.42 H new ATOM 0 HB2 ALA A 105 2.488 -16.195 1.413 1.00 71.42 H new ATOM 0 HB3 ALA A 105 2.929 -14.476 1.281 1.00 71.42 H new ATOM 1636 N ALA A 106 0.987 -12.571 0.082 1.00 30.04 N ATOM 1637 CA ALA A 106 0.534 -11.188 0.174 1.00 25.50 C ATOM 1638 C ALA A 106 -0.885 -11.039 -0.363 1.00 0.33 C ATOM 1639 O ALA A 106 -1.769 -10.533 0.328 1.00 43.51 O ATOM 1640 CB ALA A 106 1.485 -10.271 -0.580 1.00 5.20 C ATOM 0 H ALA A 106 1.789 -12.712 -0.532 1.00 30.04 H new ATOM 0 HA ALA A 106 0.528 -10.902 1.226 1.00 25.50 H new ATOM 0 HB1 ALA A 106 1.135 -9.242 -0.503 1.00 5.20 H new ATOM 0 HB2 ALA A 106 2.483 -10.348 -0.149 1.00 5.20 H new ATOM 0 HB3 ALA A 106 1.519 -10.565 -1.629 1.00 5.20 H new ATOM 1646 N GLU A 107 -1.095 -11.482 -1.598 1.00 54.44 N ATOM 1647 CA GLU A 107 -2.408 -11.395 -2.227 1.00 52.51 C ATOM 1648 C GLU A 107 -3.459 -12.123 -1.395 1.00 35.12 C ATOM 1649 O GLU A 107 -4.551 -11.605 -1.164 1.00 32.43 O ATOM 1650 CB GLU A 107 -2.362 -11.983 -3.639 1.00 11.21 C ATOM 1651 CG GLU A 107 -3.730 -12.124 -4.284 1.00 74.52 C ATOM 1652 CD GLU A 107 -4.409 -13.434 -3.931 1.00 40.24 C ATOM 1653 OE1 GLU A 107 -3.725 -14.478 -3.939 1.00 23.24 O ATOM 1654 OE2 GLU A 107 -5.625 -13.413 -3.648 1.00 31.33 O ATOM 0 H GLU A 107 -0.374 -11.904 -2.183 1.00 54.44 H new ATOM 0 HA GLU A 107 -2.684 -10.342 -2.289 1.00 52.51 H new ATOM 0 HB2 GLU A 107 -1.737 -11.349 -4.267 1.00 11.21 H new ATOM 0 HB3 GLU A 107 -1.885 -12.962 -3.600 1.00 11.21 H new ATOM 0 HG2 GLU A 107 -4.363 -11.294 -3.969 1.00 74.52 H new ATOM 0 HG3 GLU A 107 -3.626 -12.053 -5.367 1.00 74.52 H new ATOM 1661 N ASN A 108 -3.121 -13.328 -0.948 1.00 70.21 N ATOM 1662 CA ASN A 108 -4.035 -14.129 -0.143 1.00 35.35 C ATOM 1663 C ASN A 108 -4.492 -13.357 1.092 1.00 63.51 C ATOM 1664 O ASN A 108 -5.675 -13.350 1.430 1.00 70.54 O ATOM 1665 CB ASN A 108 -3.364 -15.438 0.280 1.00 41.34 C ATOM 1666 CG ASN A 108 -3.895 -16.634 -0.486 1.00 52.35 C ATOM 1667 OD1 ASN A 108 -3.238 -17.147 -1.392 1.00 24.12 O ATOM 1668 ND2 ASN A 108 -5.092 -17.083 -0.126 1.00 23.11 N ATOM 0 H ASN A 108 -2.220 -13.771 -1.130 1.00 70.21 H new ATOM 0 HA ASN A 108 -4.910 -14.357 -0.752 1.00 35.35 H new ATOM 0 HB2 ASN A 108 -2.288 -15.359 0.124 1.00 41.34 H new ATOM 0 HB3 ASN A 108 -3.520 -15.595 1.347 1.00 41.34 H new ATOM 0 HD21 ASN A 108 -5.502 -17.884 -0.606 1.00 23.11 H new ATOM 0 HD22 ASN A 108 -5.601 -16.627 0.631 1.00 23.11 H new ATOM 1675 N MET A 109 -3.544 -12.708 1.761 1.00 73.33 N ATOM 1676 CA MET A 109 -3.849 -11.932 2.957 1.00 54.43 C ATOM 1677 C MET A 109 -4.777 -10.767 2.627 1.00 53.15 C ATOM 1678 O MET A 109 -5.686 -10.448 3.394 1.00 73.25 O ATOM 1679 CB MET A 109 -2.561 -11.408 3.593 1.00 45.51 C ATOM 1680 CG MET A 109 -2.466 -11.678 5.086 1.00 53.42 C ATOM 1681 SD MET A 109 -2.153 -10.182 6.044 1.00 74.43 S ATOM 1682 CE MET A 109 -3.589 -9.200 5.617 1.00 61.04 C ATOM 0 H MET A 109 -2.559 -12.704 1.495 1.00 73.33 H new ATOM 0 HA MET A 109 -4.355 -12.588 3.666 1.00 54.43 H new ATOM 0 HB2 MET A 109 -1.707 -11.866 3.094 1.00 45.51 H new ATOM 0 HB3 MET A 109 -2.492 -10.334 3.421 1.00 45.51 H new ATOM 0 HG2 MET A 109 -3.394 -12.136 5.428 1.00 53.42 H new ATOM 0 HG3 MET A 109 -1.668 -12.397 5.271 1.00 53.42 H new ATOM 0 HE1 MET A 109 -3.810 -8.507 6.428 1.00 61.04 H new ATOM 0 HE2 MET A 109 -3.388 -8.639 4.705 1.00 61.04 H new ATOM 0 HE3 MET A 109 -4.444 -9.856 5.458 1.00 61.04 H new ATOM 1692 N TYR A 110 -4.542 -10.135 1.482 1.00 73.21 N ATOM 1693 CA TYR A 110 -5.356 -9.004 1.052 1.00 4.01 C ATOM 1694 C TYR A 110 -6.826 -9.397 0.952 1.00 33.14 C ATOM 1695 O TYR A 110 -7.708 -8.668 1.406 1.00 3.53 O ATOM 1696 CB TYR A 110 -4.864 -8.479 -0.298 1.00 2.02 C ATOM 1697 CG TYR A 110 -4.963 -6.977 -0.436 1.00 12.42 C ATOM 1698 CD1 TYR A 110 -3.988 -6.144 0.101 1.00 74.22 C ATOM 1699 CD2 TYR A 110 -6.032 -6.389 -1.102 1.00 22.34 C ATOM 1700 CE1 TYR A 110 -4.075 -4.771 -0.022 1.00 52.11 C ATOM 1701 CE2 TYR A 110 -6.126 -5.017 -1.231 1.00 30.24 C ATOM 1702 CZ TYR A 110 -5.146 -4.212 -0.689 1.00 65.30 C ATOM 1703 OH TYR A 110 -5.236 -2.845 -0.814 1.00 55.12 O ATOM 0 H TYR A 110 -3.795 -10.387 0.835 1.00 73.21 H new ATOM 0 HA TYR A 110 -5.260 -8.215 1.798 1.00 4.01 H new ATOM 0 HB2 TYR A 110 -3.826 -8.781 -0.439 1.00 2.02 H new ATOM 0 HB3 TYR A 110 -5.443 -8.948 -1.094 1.00 2.02 H new ATOM 0 HD1 TYR A 110 -3.148 -6.578 0.623 1.00 74.22 H new ATOM 0 HD2 TYR A 110 -6.803 -7.016 -1.526 1.00 22.34 H new ATOM 0 HE1 TYR A 110 -3.309 -4.138 0.402 1.00 52.11 H new ATOM 0 HE2 TYR A 110 -6.962 -4.577 -1.754 1.00 30.24 H new ATOM 0 HH TYR A 110 -6.048 -2.615 -1.311 1.00 55.12 H new ATOM 1713 N SER A 111 -7.083 -10.557 0.355 1.00 0.51 N ATOM 1714 CA SER A 111 -8.446 -11.047 0.192 1.00 75.10 C ATOM 1715 C SER A 111 -8.978 -11.620 1.502 1.00 21.51 C ATOM 1716 O SER A 111 -10.135 -11.404 1.862 1.00 4.11 O ATOM 1717 CB SER A 111 -8.500 -12.114 -0.903 1.00 44.35 C ATOM 1718 OG SER A 111 -7.781 -13.274 -0.521 1.00 51.31 O ATOM 0 H SER A 111 -6.365 -11.174 -0.024 1.00 0.51 H new ATOM 0 HA SER A 111 -9.075 -10.206 -0.099 1.00 75.10 H new ATOM 0 HB2 SER A 111 -9.538 -12.377 -1.108 1.00 44.35 H new ATOM 0 HB3 SER A 111 -8.084 -11.713 -1.827 1.00 44.35 H new ATOM 0 HG SER A 111 -7.025 -13.018 0.047 1.00 51.31 H new ATOM 1724 N GLN A 112 -8.124 -12.353 2.210 1.00 42.32 N ATOM 1725 CA GLN A 112 -8.507 -12.958 3.480 1.00 71.23 C ATOM 1726 C GLN A 112 -8.871 -11.889 4.505 1.00 65.12 C ATOM 1727 O GLN A 112 -9.663 -12.132 5.414 1.00 13.33 O ATOM 1728 CB GLN A 112 -7.371 -13.831 4.016 1.00 12.12 C ATOM 1729 CG GLN A 112 -7.302 -15.205 3.370 1.00 72.03 C ATOM 1730 CD GLN A 112 -6.270 -16.105 4.020 1.00 12.03 C ATOM 1731 OE1 GLN A 112 -6.581 -17.217 4.448 1.00 0.25 O ATOM 1732 NE2 GLN A 112 -5.033 -15.628 4.098 1.00 73.22 N ATOM 0 H GLN A 112 -7.163 -12.542 1.925 1.00 42.32 H new ATOM 0 HA GLN A 112 -9.384 -13.582 3.307 1.00 71.23 H new ATOM 0 HB2 GLN A 112 -6.423 -13.317 3.858 1.00 12.12 H new ATOM 0 HB3 GLN A 112 -7.493 -13.951 5.093 1.00 12.12 H new ATOM 0 HG2 GLN A 112 -8.281 -15.680 3.430 1.00 72.03 H new ATOM 0 HG3 GLN A 112 -7.066 -15.093 2.312 1.00 72.03 H new ATOM 0 HE21 GLN A 112 -4.820 -14.701 3.730 1.00 73.22 H new ATOM 0 HE22 GLN A 112 -4.296 -16.189 4.526 1.00 73.22 H new ATOM 1741 N MET A 113 -8.285 -10.706 4.351 1.00 11.14 N ATOM 1742 CA MET A 113 -8.548 -9.599 5.264 1.00 75.30 C ATOM 1743 C MET A 113 -9.920 -8.988 4.996 1.00 73.40 C ATOM 1744 O MET A 113 -10.536 -8.405 5.887 1.00 25.04 O ATOM 1745 CB MET A 113 -7.465 -8.528 5.127 1.00 23.20 C ATOM 1746 CG MET A 113 -7.368 -7.604 6.330 1.00 13.00 C ATOM 1747 SD MET A 113 -7.979 -5.944 5.981 1.00 11.21 S ATOM 1748 CE MET A 113 -8.332 -5.358 7.637 1.00 73.25 C ATOM 0 H MET A 113 -7.626 -10.489 3.604 1.00 11.14 H new ATOM 0 HA MET A 113 -8.536 -9.990 6.282 1.00 75.30 H new ATOM 0 HB2 MET A 113 -6.502 -9.015 4.974 1.00 23.20 H new ATOM 0 HB3 MET A 113 -7.666 -7.932 4.237 1.00 23.20 H new ATOM 0 HG2 MET A 113 -7.936 -8.030 7.157 1.00 13.00 H new ATOM 0 HG3 MET A 113 -6.329 -7.544 6.654 1.00 13.00 H new ATOM 0 HE1 MET A 113 -8.719 -4.340 7.588 1.00 73.25 H new ATOM 0 HE2 MET A 113 -9.074 -6.007 8.102 1.00 73.25 H new ATOM 0 HE3 MET A 113 -7.417 -5.370 8.230 1.00 73.25 H new ATOM 1758 N GLY A 114 -10.394 -9.126 3.761 1.00 21.31 N ATOM 1759 CA GLY A 114 -11.689 -8.582 3.398 1.00 34.25 C ATOM 1760 C GLY A 114 -11.580 -7.418 2.433 1.00 20.53 C ATOM 1761 O GLY A 114 -12.508 -6.619 2.306 1.00 40.45 O ATOM 0 H GLY A 114 -9.904 -9.605 3.006 1.00 21.31 H new ATOM 0 HA2 GLY A 114 -12.296 -9.367 2.948 1.00 34.25 H new ATOM 0 HA3 GLY A 114 -12.208 -8.255 4.299 1.00 34.25 H new