USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 939 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 121 ASN : amide:sc= -1.84 X(o=-1.9,f=-2.2) USER MOD Set 1.2: A 122 THR OG1 : rot 180:sc= -0.0985 USER MOD Set 2.1: A 28 TYR OH : rot 30:sc= 0.412 USER MOD Set 2.2: A 47 SER OG : rot -133:sc= 1.67 USER MOD Single : A 21 MET CE :methyl 157:sc= -1.53 (180deg=-2.53!) USER MOD Single : A 30 THR OG1 : rot -140:sc= 0.0391 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.22) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -5.5! C(o=-5.5!,f=-7.3!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 60:sc= 1.27 USER MOD Single : A 48 SER OG : rot -90:sc= -0.682 USER MOD Single : A 52 THR OG1 : rot 16:sc= -0.827 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 56 THR OG1 : rot 120:sc= -0.632 USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.0445 (180deg=-0.293) USER MOD Single : A 61 ASN : amide:sc= -0.335 X(o=-0.33,f=-0.036) USER MOD Single : A 63 LYS NZ :NH3+ -117:sc= -1.62 (180deg=-6.03!) USER MOD Single : A 65 ASN : amide:sc= -0.0296 X(o=-0.03,f=-0.43) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.803! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0541) USER MOD Single : A 72 HIS : no HD1:sc= -0.0965 X(o=-0.097,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.962 K(o=-0.96,f=-1.5) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= -0.488 X(o=-0.49,f=-0.19) USER MOD Single : A 100 MET CE :methyl 162:sc= -0.683 (180deg=-1.31) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot -54:sc= 0.015 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -112:sc= -1.41 (180deg=-7.13!) USER MOD Single : A 112 THR OG1 : rot -66:sc= 1.17 USER MOD Single : A 113 MET CE :methyl 154:sc= -3.23! (180deg=-3.76) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc=-0.00732 K(o=-0.0073,f=-1.3) USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N MET A 21 10.428 -11.921 2.933 1.00 61.11 N ATOM 128 CA MET A 21 11.877 -11.828 2.798 1.00 62.34 C ATOM 129 C MET A 21 12.275 -10.540 2.084 1.00 22.13 C ATOM 130 O MET A 21 13.402 -10.064 2.223 1.00 21.53 O ATOM 131 CB MET A 21 12.418 -13.037 2.032 1.00 73.25 C ATOM 132 CG MET A 21 13.445 -13.842 2.812 1.00 53.40 C ATOM 133 SD MET A 21 13.369 -15.606 2.446 1.00 12.44 S ATOM 134 CE MET A 21 11.873 -16.068 3.317 1.00 43.20 C ATOM 0 HA MET A 21 12.310 -11.817 3.798 1.00 62.34 H new ATOM 0 HB2 MET A 21 11.586 -13.688 1.763 1.00 73.25 H new ATOM 0 HB3 MET A 21 12.869 -12.694 1.100 1.00 73.25 H new ATOM 0 HG2 MET A 21 14.443 -13.470 2.582 1.00 53.40 H new ATOM 0 HG3 MET A 21 13.286 -13.689 3.879 1.00 53.40 H new ATOM 0 HE1 MET A 21 11.465 -16.979 2.881 1.00 43.20 H new ATOM 0 HE2 MET A 21 12.103 -16.240 4.368 1.00 43.20 H new ATOM 0 HE3 MET A 21 11.140 -15.265 3.233 1.00 43.20 H new ATOM 144 N VAL A 22 11.343 -9.980 1.320 1.00 41.22 N ATOM 145 CA VAL A 22 11.597 -8.746 0.585 1.00 32.22 C ATOM 146 C VAL A 22 10.438 -7.768 0.738 1.00 51.42 C ATOM 147 O VAL A 22 9.287 -8.173 0.898 1.00 34.23 O ATOM 148 CB VAL A 22 11.828 -9.022 -0.912 1.00 73.04 C ATOM 149 CG1 VAL A 22 12.630 -7.895 -1.546 1.00 33.33 C ATOM 150 CG2 VAL A 22 12.527 -10.359 -1.106 1.00 32.21 C ATOM 0 H VAL A 22 10.405 -10.361 1.194 1.00 41.22 H new ATOM 0 HA VAL A 22 12.499 -8.305 1.008 1.00 32.22 H new ATOM 0 HB VAL A 22 10.859 -9.069 -1.408 1.00 73.04 H new ATOM 0 HG11 VAL A 22 12.783 -8.108 -2.604 1.00 33.33 H new ATOM 0 HG12 VAL A 22 12.086 -6.957 -1.440 1.00 33.33 H new ATOM 0 HG13 VAL A 22 13.597 -7.812 -1.049 1.00 33.33 H new ATOM 0 HG21 VAL A 22 12.682 -10.537 -2.170 1.00 32.21 H new ATOM 0 HG22 VAL A 22 13.490 -10.343 -0.597 1.00 32.21 H new ATOM 0 HG23 VAL A 22 11.910 -11.156 -0.691 1.00 32.21 H new ATOM 160 N ARG A 23 10.750 -6.477 0.686 1.00 11.31 N ATOM 161 CA ARG A 23 9.734 -5.439 0.819 1.00 23.33 C ATOM 162 C ARG A 23 10.178 -4.153 0.129 1.00 13.42 C ATOM 163 O ARG A 23 11.368 -3.845 0.073 1.00 65.41 O ATOM 164 CB ARG A 23 9.446 -5.165 2.296 1.00 35.03 C ATOM 165 CG ARG A 23 10.391 -4.154 2.924 1.00 14.40 C ATOM 166 CD ARG A 23 9.768 -2.767 2.975 1.00 5.04 C ATOM 167 NE ARG A 23 9.836 -2.186 4.314 1.00 71.04 N ATOM 168 CZ ARG A 23 9.071 -2.580 5.325 1.00 32.33 C ATOM 169 NH1 ARG A 23 8.185 -3.552 5.152 1.00 43.32 N ATOM 170 NH2 ARG A 23 9.191 -2.003 6.514 1.00 51.10 N ATOM 0 H ARG A 23 11.698 -6.125 0.553 1.00 11.31 H new ATOM 0 HA ARG A 23 8.822 -5.793 0.338 1.00 23.33 H new ATOM 0 HB2 ARG A 23 8.422 -4.804 2.397 1.00 35.03 H new ATOM 0 HB3 ARG A 23 9.510 -6.102 2.850 1.00 35.03 H new ATOM 0 HG2 ARG A 23 10.651 -4.475 3.933 1.00 14.40 H new ATOM 0 HG3 ARG A 23 11.318 -4.117 2.352 1.00 14.40 H new ATOM 0 HD2 ARG A 23 10.281 -2.113 2.269 1.00 5.04 H new ATOM 0 HD3 ARG A 23 8.727 -2.825 2.657 1.00 5.04 H new ATOM 0 HE ARG A 23 10.508 -1.437 4.481 1.00 71.04 H new ATOM 0 HH11 ARG A 23 8.090 -3.999 4.240 1.00 43.32 H new ATOM 0 HH12 ARG A 23 7.599 -3.852 5.931 1.00 43.32 H new ATOM 0 HH21 ARG A 23 9.872 -1.256 6.652 1.00 51.10 H new ATOM 0 HH22 ARG A 23 8.603 -2.307 7.290 1.00 51.10 H new ATOM 184 N ARG A 24 9.212 -3.405 -0.395 1.00 32.22 N ATOM 185 CA ARG A 24 9.503 -2.153 -1.083 1.00 34.04 C ATOM 186 C ARG A 24 9.967 -1.086 -0.096 1.00 4.11 C ATOM 187 O ARG A 24 9.185 -0.237 0.330 1.00 53.04 O ATOM 188 CB ARG A 24 8.266 -1.661 -1.837 1.00 32.52 C ATOM 189 CG ARG A 24 8.257 -2.045 -3.308 1.00 12.05 C ATOM 190 CD ARG A 24 6.998 -2.815 -3.675 1.00 20.12 C ATOM 191 NE ARG A 24 5.929 -1.931 -4.132 1.00 63.11 N ATOM 192 CZ ARG A 24 4.899 -2.341 -4.864 1.00 44.22 C ATOM 193 NH1 ARG A 24 4.799 -3.614 -5.220 1.00 23.24 N ATOM 194 NH2 ARG A 24 3.967 -1.476 -5.242 1.00 14.02 N ATOM 0 H ARG A 24 8.221 -3.644 -0.356 1.00 32.22 H new ATOM 0 HA ARG A 24 10.306 -2.338 -1.797 1.00 34.04 H new ATOM 0 HB2 ARG A 24 7.374 -2.066 -1.359 1.00 32.52 H new ATOM 0 HB3 ARG A 24 8.207 -0.576 -1.753 1.00 32.52 H new ATOM 0 HG2 ARG A 24 8.326 -1.146 -3.920 1.00 12.05 H new ATOM 0 HG3 ARG A 24 9.134 -2.652 -3.532 1.00 12.05 H new ATOM 0 HD2 ARG A 24 7.230 -3.537 -4.457 1.00 20.12 H new ATOM 0 HD3 ARG A 24 6.655 -3.382 -2.810 1.00 20.12 H new ATOM 0 HE ARG A 24 5.976 -0.945 -3.875 1.00 63.11 H new ATOM 0 HH11 ARG A 24 5.514 -4.282 -4.932 1.00 23.24 H new ATOM 0 HH12 ARG A 24 4.007 -3.926 -5.782 1.00 23.24 H new ATOM 0 HH21 ARG A 24 4.041 -0.496 -4.971 1.00 14.02 H new ATOM 0 HH22 ARG A 24 3.176 -1.791 -5.804 1.00 14.02 H new ATOM 208 N ALA A 25 11.246 -1.137 0.264 1.00 52.52 N ATOM 209 CA ALA A 25 11.815 -0.174 1.199 1.00 50.03 C ATOM 210 C ALA A 25 12.736 0.808 0.483 1.00 54.43 C ATOM 211 O ALA A 25 13.191 0.548 -0.631 1.00 52.11 O ATOM 212 CB ALA A 25 12.569 -0.896 2.306 1.00 52.12 C ATOM 0 H ALA A 25 11.907 -1.835 -0.078 1.00 52.52 H new ATOM 0 HA ALA A 25 10.996 0.393 1.642 1.00 50.03 H new ATOM 0 HB1 ALA A 25 12.989 -0.165 2.997 1.00 52.12 H new ATOM 0 HB2 ALA A 25 11.885 -1.553 2.844 1.00 52.12 H new ATOM 0 HB3 ALA A 25 13.374 -1.488 1.871 1.00 52.12 H new ATOM 218 N ARG A 26 13.005 1.938 1.129 1.00 41.11 N ATOM 219 CA ARG A 26 13.870 2.960 0.552 1.00 1.33 C ATOM 220 C ARG A 26 15.255 2.394 0.252 1.00 1.41 C ATOM 221 O ARG A 26 15.493 1.195 0.400 1.00 1.41 O ATOM 222 CB ARG A 26 13.990 4.153 1.503 1.00 72.20 C ATOM 223 CG ARG A 26 13.921 5.500 0.802 1.00 32.21 C ATOM 224 CD ARG A 26 12.526 6.100 0.886 1.00 43.43 C ATOM 225 NE ARG A 26 12.564 7.544 1.106 1.00 62.43 N ATOM 226 CZ ARG A 26 11.521 8.251 1.525 1.00 72.20 C ATOM 227 NH1 ARG A 26 10.364 7.651 1.769 1.00 71.33 N ATOM 228 NH2 ARG A 26 11.634 9.561 1.702 1.00 53.02 N ATOM 0 H ARG A 26 12.637 2.169 2.052 1.00 41.11 H new ATOM 0 HA ARG A 26 13.422 3.293 -0.384 1.00 1.33 H new ATOM 0 HB2 ARG A 26 13.193 4.097 2.244 1.00 72.20 H new ATOM 0 HB3 ARG A 26 14.934 4.082 2.044 1.00 72.20 H new ATOM 0 HG2 ARG A 26 14.640 6.184 1.253 1.00 32.21 H new ATOM 0 HG3 ARG A 26 14.206 5.382 -0.244 1.00 32.21 H new ATOM 0 HD2 ARG A 26 11.984 5.888 -0.036 1.00 43.43 H new ATOM 0 HD3 ARG A 26 11.975 5.624 1.697 1.00 43.43 H new ATOM 0 HE ARG A 26 13.440 8.036 0.928 1.00 62.43 H new ATOM 0 HH11 ARG A 26 10.274 6.644 1.635 1.00 71.33 H new ATOM 0 HH12 ARG A 26 9.564 8.197 2.091 1.00 71.33 H new ATOM 0 HH21 ARG A 26 12.523 10.026 1.516 1.00 53.02 H new ATOM 0 HH22 ARG A 26 10.832 10.103 2.024 1.00 53.02 H new ATOM 242 N CYS A 27 16.165 3.265 -0.171 1.00 3.21 N ATOM 243 CA CYS A 27 17.526 2.854 -0.493 1.00 62.33 C ATOM 244 C CYS A 27 18.454 4.062 -0.578 1.00 42.10 C ATOM 245 O CYS A 27 18.241 4.967 -1.385 1.00 74.23 O ATOM 246 CB CYS A 27 17.549 2.085 -1.816 1.00 42.42 C ATOM 247 SG CYS A 27 18.544 0.560 -1.773 1.00 32.21 S ATOM 0 H CYS A 27 15.984 4.261 -0.299 1.00 3.21 H new ATOM 0 HA CYS A 27 17.880 2.202 0.305 1.00 62.33 H new ATOM 0 HB2 CYS A 27 16.526 1.831 -2.094 1.00 42.42 H new ATOM 0 HB3 CYS A 27 17.939 2.738 -2.597 1.00 42.42 H new ATOM 252 N TYR A 28 19.485 4.069 0.260 1.00 14.33 N ATOM 253 CA TYR A 28 20.444 5.167 0.282 1.00 23.22 C ATOM 254 C TYR A 28 21.869 4.648 0.115 1.00 62.15 C ATOM 255 O TYR A 28 22.188 3.511 0.462 1.00 62.41 O ATOM 256 CB TYR A 28 20.326 5.950 1.591 1.00 75.22 C ATOM 257 CG TYR A 28 20.657 5.132 2.818 1.00 22.43 C ATOM 258 CD1 TYR A 28 21.976 4.878 3.173 1.00 3.21 C ATOM 259 CD2 TYR A 28 19.651 4.613 3.624 1.00 71.21 C ATOM 260 CE1 TYR A 28 22.284 4.131 4.293 1.00 33.52 C ATOM 261 CE2 TYR A 28 19.949 3.865 4.747 1.00 40.22 C ATOM 262 CZ TYR A 28 21.267 3.626 5.077 1.00 52.50 C ATOM 263 OH TYR A 28 21.569 2.882 6.194 1.00 11.44 O ATOM 0 H TYR A 28 19.678 3.327 0.933 1.00 14.33 H new ATOM 0 HA TYR A 28 20.217 5.831 -0.552 1.00 23.22 H new ATOM 0 HB2 TYR A 28 20.991 6.813 1.550 1.00 75.22 H new ATOM 0 HB3 TYR A 28 19.310 6.335 1.684 1.00 75.22 H new ATOM 0 HD1 TYR A 28 22.775 5.272 2.562 1.00 3.21 H new ATOM 0 HD2 TYR A 28 18.618 4.797 3.368 1.00 71.21 H new ATOM 0 HE1 TYR A 28 23.315 3.943 4.554 1.00 33.52 H new ATOM 0 HE2 TYR A 28 19.155 3.470 5.363 1.00 40.22 H new ATOM 0 HH TYR A 28 22.427 3.179 6.563 1.00 11.44 H new ATOM 273 N PRO A 29 22.748 5.502 -0.431 1.00 23.32 N ATOM 274 CA PRO A 29 24.154 5.154 -0.657 1.00 22.45 C ATOM 275 C PRO A 29 24.936 5.027 0.646 1.00 25.13 C ATOM 276 O PRO A 29 25.078 5.995 1.395 1.00 61.52 O ATOM 277 CB PRO A 29 24.682 6.328 -1.485 1.00 33.40 C ATOM 278 CG PRO A 29 23.792 7.470 -1.133 1.00 21.40 C ATOM 279 CD PRO A 29 22.437 6.873 -0.868 1.00 65.14 C ATOM 0 HA PRO A 29 24.260 4.187 -1.148 1.00 22.45 H new ATOM 0 HB2 PRO A 29 25.722 6.547 -1.243 1.00 33.40 H new ATOM 0 HB3 PRO A 29 24.642 6.109 -2.552 1.00 33.40 H new ATOM 0 HG2 PRO A 29 24.164 7.998 -0.255 1.00 21.40 H new ATOM 0 HG3 PRO A 29 23.747 8.195 -1.946 1.00 21.40 H new ATOM 0 HD2 PRO A 29 21.897 7.427 -0.100 1.00 65.14 H new ATOM 0 HD3 PRO A 29 21.814 6.878 -1.762 1.00 65.14 H new ATOM 287 N THR A 30 25.444 3.827 0.912 1.00 10.23 N ATOM 288 CA THR A 30 26.211 3.574 2.125 1.00 25.11 C ATOM 289 C THR A 30 27.491 4.402 2.149 1.00 12.43 C ATOM 290 O THR A 30 27.581 5.402 2.862 1.00 31.00 O ATOM 291 CB THR A 30 26.576 2.083 2.258 1.00 42.20 C ATOM 292 OG1 THR A 30 25.952 1.331 1.212 1.00 74.11 O ATOM 293 CG2 THR A 30 26.142 1.538 3.610 1.00 11.43 C ATOM 0 H THR A 30 25.338 3.016 0.303 1.00 10.23 H new ATOM 0 HA THR A 30 25.579 3.863 2.965 1.00 25.11 H new ATOM 0 HB THR A 30 27.659 1.988 2.177 1.00 42.20 H new ATOM 0 HG1 THR A 30 25.626 0.479 1.571 1.00 74.11 H new ATOM 0 HG21 THR A 30 26.410 0.484 3.681 1.00 11.43 H new ATOM 0 HG22 THR A 30 26.642 2.093 4.404 1.00 11.43 H new ATOM 0 HG23 THR A 30 25.063 1.646 3.716 1.00 11.43 H new ATOM 301 N SER A 31 28.478 3.981 1.366 1.00 42.04 N ATOM 302 CA SER A 31 29.755 4.683 1.300 1.00 54.12 C ATOM 303 C SER A 31 29.936 5.354 -0.059 1.00 23.35 C ATOM 304 O SER A 31 29.071 5.264 -0.928 1.00 34.31 O ATOM 305 CB SER A 31 30.908 3.713 1.561 1.00 44.02 C ATOM 306 OG SER A 31 30.802 3.129 2.847 1.00 25.15 O ATOM 0 H SER A 31 28.419 3.157 0.768 1.00 42.04 H new ATOM 0 HA SER A 31 29.758 5.455 2.070 1.00 54.12 H new ATOM 0 HB2 SER A 31 30.908 2.931 0.802 1.00 44.02 H new ATOM 0 HB3 SER A 31 31.858 4.241 1.475 1.00 44.02 H new ATOM 0 HG SER A 31 31.550 2.512 2.989 1.00 25.15 H new ATOM 312 N ASN A 32 31.069 6.026 -0.232 1.00 43.35 N ATOM 313 CA ASN A 32 31.366 6.713 -1.484 1.00 51.33 C ATOM 314 C ASN A 32 31.577 5.713 -2.617 1.00 1.21 C ATOM 315 O ASN A 32 31.001 5.850 -3.695 1.00 54.54 O ATOM 316 CB ASN A 32 32.609 7.592 -1.326 1.00 74.32 C ATOM 317 CG ASN A 32 32.680 8.253 0.037 1.00 71.51 C ATOM 318 OD1 ASN A 32 33.717 8.223 0.700 1.00 72.10 O ATOM 319 ND2 ASN A 32 31.574 8.853 0.462 1.00 43.14 N ATOM 0 H ASN A 32 31.796 6.110 0.478 1.00 43.35 H new ATOM 0 HA ASN A 32 30.513 7.344 -1.734 1.00 51.33 H new ATOM 0 HB2 ASN A 32 33.502 6.985 -1.480 1.00 74.32 H new ATOM 0 HB3 ASN A 32 32.608 8.360 -2.100 1.00 74.32 H new ATOM 0 HD21 ASN A 32 31.561 9.314 1.372 1.00 43.14 H new ATOM 0 HD22 ASN A 32 30.737 8.853 -0.121 1.00 43.14 H new ATOM 326 N ALA A 33 32.407 4.707 -2.363 1.00 61.21 N ATOM 327 CA ALA A 33 32.693 3.682 -3.360 1.00 14.13 C ATOM 328 C ALA A 33 31.716 2.516 -3.244 1.00 3.43 C ATOM 329 O ALA A 33 31.038 2.162 -4.209 1.00 23.33 O ATOM 330 CB ALA A 33 34.125 3.190 -3.215 1.00 71.31 C ATOM 0 H ALA A 33 32.893 4.580 -1.476 1.00 61.21 H new ATOM 0 HA ALA A 33 32.572 4.127 -4.348 1.00 14.13 H new ATOM 0 HB1 ALA A 33 34.325 2.425 -3.966 1.00 71.31 H new ATOM 0 HB2 ALA A 33 34.812 4.024 -3.355 1.00 71.31 H new ATOM 0 HB3 ALA A 33 34.266 2.767 -2.220 1.00 71.31 H new ATOM 336 N THR A 34 31.649 1.922 -2.056 1.00 43.32 N ATOM 337 CA THR A 34 30.757 0.795 -1.815 1.00 4.33 C ATOM 338 C THR A 34 30.897 0.280 -0.387 1.00 31.12 C ATOM 339 O THR A 34 31.996 0.241 0.164 1.00 21.50 O ATOM 340 CB THR A 34 31.034 -0.360 -2.795 1.00 22.32 C ATOM 341 OG1 THR A 34 30.334 -1.537 -2.375 1.00 51.24 O ATOM 342 CG2 THR A 34 32.525 -0.654 -2.878 1.00 55.23 C ATOM 0 H THR A 34 32.202 2.203 -1.246 1.00 43.32 H new ATOM 0 HA THR A 34 29.741 1.157 -1.970 1.00 4.33 H new ATOM 0 HB THR A 34 30.683 -0.061 -3.783 1.00 22.32 H new ATOM 0 HG1 THR A 34 30.514 -2.267 -3.004 1.00 51.24 H new ATOM 0 HG21 THR A 34 32.696 -1.473 -3.576 1.00 55.23 H new ATOM 0 HG22 THR A 34 33.052 0.235 -3.225 1.00 55.23 H new ATOM 0 HG23 THR A 34 32.896 -0.934 -1.892 1.00 55.23 H new ATOM 350 N ASN A 35 29.775 -0.115 0.207 1.00 24.00 N ATOM 351 CA ASN A 35 29.773 -0.629 1.572 1.00 3.40 C ATOM 352 C ASN A 35 30.735 -1.804 1.712 1.00 24.43 C ATOM 353 O ASN A 35 30.849 -2.639 0.814 1.00 21.31 O ATOM 354 CB ASN A 35 28.362 -1.060 1.975 1.00 55.42 C ATOM 355 CG ASN A 35 28.348 -1.869 3.257 1.00 72.31 C ATOM 356 OD1 ASN A 35 27.760 -2.950 3.316 1.00 44.43 O ATOM 357 ND2 ASN A 35 28.997 -1.349 4.292 1.00 11.00 N ATOM 0 H ASN A 35 28.856 -0.089 -0.235 1.00 24.00 H new ATOM 0 HA ASN A 35 30.105 0.170 2.235 1.00 3.40 H new ATOM 0 HB2 ASN A 35 27.737 -0.176 2.100 1.00 55.42 H new ATOM 0 HB3 ASN A 35 27.922 -1.650 1.171 1.00 55.42 H new ATOM 0 HD21 ASN A 35 29.022 -1.848 5.181 1.00 11.00 H new ATOM 0 HD22 ASN A 35 29.470 -0.450 4.198 1.00 11.00 H new ATOM 364 N THR A 36 31.427 -1.864 2.846 1.00 33.33 N ATOM 365 CA THR A 36 32.379 -2.937 3.105 1.00 43.41 C ATOM 366 C THR A 36 32.047 -3.667 4.401 1.00 11.42 C ATOM 367 O THR A 36 31.439 -3.097 5.308 1.00 31.21 O ATOM 368 CB THR A 36 33.821 -2.400 3.186 1.00 12.25 C ATOM 369 OG1 THR A 36 33.857 -1.028 2.777 1.00 73.11 O ATOM 370 CG2 THR A 36 34.754 -3.221 2.310 1.00 44.34 C ATOM 0 H THR A 36 31.346 -1.182 3.600 1.00 33.33 H new ATOM 0 HA THR A 36 32.304 -3.634 2.270 1.00 43.41 H new ATOM 0 HB THR A 36 34.157 -2.479 4.220 1.00 12.25 H new ATOM 0 HG1 THR A 36 34.777 -0.694 2.833 1.00 73.11 H new ATOM 0 HG21 THR A 36 35.766 -2.823 2.384 1.00 44.34 H new ATOM 0 HG22 THR A 36 34.747 -4.259 2.644 1.00 44.34 H new ATOM 0 HG23 THR A 36 34.419 -3.171 1.274 1.00 44.34 H new ATOM 378 N CYS A 37 32.450 -4.930 4.483 1.00 31.22 N ATOM 379 CA CYS A 37 32.195 -5.739 5.669 1.00 23.10 C ATOM 380 C CYS A 37 33.415 -6.585 6.023 1.00 60.15 C ATOM 381 O CYS A 37 33.662 -7.624 5.410 1.00 43.03 O ATOM 382 CB CYS A 37 30.982 -6.643 5.444 1.00 34.14 C ATOM 383 SG CYS A 37 30.485 -7.600 6.913 1.00 63.11 S ATOM 0 H CYS A 37 32.955 -5.416 3.742 1.00 31.22 H new ATOM 0 HA CYS A 37 31.988 -5.065 6.500 1.00 23.10 H new ATOM 0 HB2 CYS A 37 30.140 -6.030 5.121 1.00 34.14 H new ATOM 0 HB3 CYS A 37 31.203 -7.334 4.631 1.00 34.14 H new ATOM 388 N PHE A 38 34.174 -6.133 7.015 1.00 22.12 N ATOM 389 CA PHE A 38 35.369 -6.847 7.450 1.00 34.45 C ATOM 390 C PHE A 38 36.294 -7.130 6.270 1.00 12.24 C ATOM 391 O PHE A 38 36.513 -8.283 5.902 1.00 42.25 O ATOM 392 CB PHE A 38 34.983 -8.160 8.136 1.00 55.21 C ATOM 393 CG PHE A 38 34.159 -7.968 9.377 1.00 74.10 C ATOM 394 CD1 PHE A 38 34.314 -6.836 10.160 1.00 42.53 C ATOM 395 CD2 PHE A 38 33.229 -8.921 9.761 1.00 12.21 C ATOM 396 CE1 PHE A 38 33.557 -6.656 11.302 1.00 3.23 C ATOM 397 CE2 PHE A 38 32.469 -8.746 10.902 1.00 32.43 C ATOM 398 CZ PHE A 38 32.634 -7.613 11.674 1.00 21.25 C ATOM 0 H PHE A 38 33.983 -5.275 7.533 1.00 22.12 H new ATOM 0 HA PHE A 38 35.900 -6.215 8.162 1.00 34.45 H new ATOM 0 HB2 PHE A 38 34.426 -8.779 7.432 1.00 55.21 H new ATOM 0 HB3 PHE A 38 35.890 -8.707 8.393 1.00 55.21 H new ATOM 0 HD1 PHE A 38 35.035 -6.085 9.874 1.00 42.53 H new ATOM 0 HD2 PHE A 38 33.097 -9.810 9.162 1.00 12.21 H new ATOM 0 HE1 PHE A 38 33.687 -5.768 11.903 1.00 3.23 H new ATOM 0 HE2 PHE A 38 31.746 -9.495 11.190 1.00 32.43 H new ATOM 0 HZ PHE A 38 32.042 -7.476 12.567 1.00 21.25 H new ATOM 408 N GLY A 39 36.834 -6.067 5.681 1.00 15.14 N ATOM 409 CA GLY A 39 37.728 -6.221 4.549 1.00 51.41 C ATOM 410 C GLY A 39 37.084 -6.969 3.399 1.00 53.13 C ATOM 411 O GLY A 39 37.775 -7.491 2.524 1.00 30.34 O ATOM 0 H GLY A 39 36.668 -5.102 5.968 1.00 15.14 H new ATOM 0 HA2 GLY A 39 38.047 -5.237 4.205 1.00 51.41 H new ATOM 0 HA3 GLY A 39 38.624 -6.753 4.868 1.00 51.41 H new ATOM 415 N SER A 40 35.756 -7.022 3.400 1.00 74.54 N ATOM 416 CA SER A 40 35.018 -7.717 2.351 1.00 31.41 C ATOM 417 C SER A 40 33.927 -6.823 1.770 1.00 12.04 C ATOM 418 O SER A 40 32.821 -6.744 2.306 1.00 21.41 O ATOM 419 CB SER A 40 34.399 -9.004 2.901 1.00 65.35 C ATOM 420 OG SER A 40 34.900 -10.142 2.219 1.00 12.24 O ATOM 0 H SER A 40 35.169 -6.592 4.115 1.00 74.54 H new ATOM 0 HA SER A 40 35.718 -7.970 1.555 1.00 31.41 H new ATOM 0 HB2 SER A 40 34.616 -9.089 3.966 1.00 65.35 H new ATOM 0 HB3 SER A 40 33.315 -8.963 2.799 1.00 65.35 H new ATOM 0 HG SER A 40 34.491 -10.952 2.590 1.00 12.24 H new ATOM 426 N LYS A 41 34.246 -6.149 0.670 1.00 20.44 N ATOM 427 CA LYS A 41 33.295 -5.261 0.014 1.00 52.41 C ATOM 428 C LYS A 41 32.018 -6.008 -0.356 1.00 34.10 C ATOM 429 O LYS A 41 32.062 -7.038 -1.030 1.00 50.25 O ATOM 430 CB LYS A 41 33.921 -4.647 -1.241 1.00 33.14 C ATOM 431 CG LYS A 41 35.159 -3.814 -0.958 1.00 21.45 C ATOM 432 CD LYS A 41 36.037 -3.684 -2.191 1.00 1.23 C ATOM 433 CE LYS A 41 35.484 -2.652 -3.162 1.00 71.31 C ATOM 434 NZ LYS A 41 36.457 -2.329 -4.242 1.00 3.03 N ATOM 0 H LYS A 41 35.157 -6.201 0.214 1.00 20.44 H new ATOM 0 HA LYS A 41 33.039 -4.464 0.713 1.00 52.41 H new ATOM 0 HB2 LYS A 41 34.182 -5.446 -1.935 1.00 33.14 H new ATOM 0 HB3 LYS A 41 33.179 -4.022 -1.739 1.00 33.14 H new ATOM 0 HG2 LYS A 41 34.861 -2.823 -0.616 1.00 21.45 H new ATOM 0 HG3 LYS A 41 35.730 -4.272 -0.150 1.00 21.45 H new ATOM 0 HD2 LYS A 41 37.046 -3.400 -1.892 1.00 1.23 H new ATOM 0 HD3 LYS A 41 36.112 -4.651 -2.689 1.00 1.23 H new ATOM 0 HE2 LYS A 41 34.562 -3.028 -3.605 1.00 71.31 H new ATOM 0 HE3 LYS A 41 35.229 -1.742 -2.619 1.00 71.31 H new ATOM 0 HZ1 LYS A 41 36.043 -1.622 -4.883 1.00 3.03 H new ATOM 0 HZ2 LYS A 41 37.328 -1.947 -3.822 1.00 3.03 H new ATOM 0 HZ3 LYS A 41 36.681 -3.192 -4.777 1.00 3.03 H new ATOM 448 N LEU A 42 30.881 -5.483 0.088 1.00 31.30 N ATOM 449 CA LEU A 42 29.590 -6.100 -0.198 1.00 23.42 C ATOM 450 C LEU A 42 29.197 -5.890 -1.657 1.00 25.43 C ATOM 451 O LEU A 42 29.629 -4.941 -2.311 1.00 15.53 O ATOM 452 CB LEU A 42 28.512 -5.523 0.721 1.00 40.23 C ATOM 453 CG LEU A 42 28.658 -5.840 2.209 1.00 32.43 C ATOM 454 CD1 LEU A 42 28.983 -7.312 2.412 1.00 60.23 C ATOM 455 CD2 LEU A 42 29.730 -4.964 2.839 1.00 3.32 C ATOM 0 H LEU A 42 30.827 -4.632 0.647 1.00 31.30 H new ATOM 0 HA LEU A 42 29.679 -7.171 -0.016 1.00 23.42 H new ATOM 0 HB2 LEU A 42 28.502 -4.440 0.600 1.00 40.23 H new ATOM 0 HB3 LEU A 42 27.542 -5.890 0.385 1.00 40.23 H new ATOM 0 HG LEU A 42 27.709 -5.627 2.700 1.00 32.43 H new ATOM 0 HD11 LEU A 42 29.083 -7.519 3.477 1.00 60.23 H new ATOM 0 HD12 LEU A 42 28.180 -7.922 1.998 1.00 60.23 H new ATOM 0 HD13 LEU A 42 29.919 -7.551 1.906 1.00 60.23 H new ATOM 0 HD21 LEU A 42 29.820 -5.204 3.898 1.00 3.32 H new ATOM 0 HD22 LEU A 42 30.684 -5.144 2.344 1.00 3.32 H new ATOM 0 HD23 LEU A 42 29.455 -3.915 2.727 1.00 3.32 H new ATOM 467 N PRO A 43 28.358 -6.796 -2.180 1.00 31.20 N ATOM 468 CA PRO A 43 27.886 -6.730 -3.566 1.00 61.13 C ATOM 469 C PRO A 43 26.930 -5.565 -3.798 1.00 72.23 C ATOM 470 O PRO A 43 26.534 -5.290 -4.931 1.00 65.24 O ATOM 471 CB PRO A 43 27.160 -8.064 -3.758 1.00 21.11 C ATOM 472 CG PRO A 43 26.738 -8.466 -2.387 1.00 13.31 C ATOM 473 CD PRO A 43 27.804 -7.954 -1.458 1.00 62.24 C ATOM 0 HA PRO A 43 28.705 -6.570 -4.268 1.00 61.13 H new ATOM 0 HB2 PRO A 43 26.301 -7.956 -4.421 1.00 21.11 H new ATOM 0 HB3 PRO A 43 27.816 -8.811 -4.205 1.00 21.11 H new ATOM 0 HG2 PRO A 43 25.766 -8.041 -2.138 1.00 13.31 H new ATOM 0 HG3 PRO A 43 26.641 -9.549 -2.310 1.00 13.31 H new ATOM 0 HD2 PRO A 43 27.390 -7.665 -0.492 1.00 62.24 H new ATOM 0 HD3 PRO A 43 28.566 -8.709 -1.265 1.00 62.24 H new ATOM 481 N TYR A 44 26.562 -4.884 -2.719 1.00 2.21 N ATOM 482 CA TYR A 44 25.650 -3.749 -2.805 1.00 65.31 C ATOM 483 C TYR A 44 26.320 -2.473 -2.304 1.00 71.20 C ATOM 484 O TYR A 44 27.232 -2.521 -1.479 1.00 51.05 O ATOM 485 CB TYR A 44 24.382 -4.025 -1.996 1.00 2.23 C ATOM 486 CG TYR A 44 24.626 -4.844 -0.748 1.00 72.04 C ATOM 487 CD1 TYR A 44 25.033 -4.240 0.435 1.00 44.34 C ATOM 488 CD2 TYR A 44 24.450 -6.222 -0.753 1.00 74.10 C ATOM 489 CE1 TYR A 44 25.258 -4.984 1.577 1.00 71.15 C ATOM 490 CE2 TYR A 44 24.670 -6.974 0.384 1.00 24.34 C ATOM 491 CZ TYR A 44 25.075 -6.351 1.547 1.00 54.25 C ATOM 492 OH TYR A 44 25.297 -7.097 2.681 1.00 11.33 O ATOM 0 H TYR A 44 26.881 -5.098 -1.774 1.00 2.21 H new ATOM 0 HA TYR A 44 25.381 -3.609 -3.852 1.00 65.31 H new ATOM 0 HB2 TYR A 44 23.927 -3.075 -1.714 1.00 2.23 H new ATOM 0 HB3 TYR A 44 23.664 -4.547 -2.628 1.00 2.23 H new ATOM 0 HD1 TYR A 44 25.176 -3.170 0.462 1.00 44.34 H new ATOM 0 HD2 TYR A 44 24.136 -6.714 -1.662 1.00 74.10 H new ATOM 0 HE1 TYR A 44 25.575 -4.498 2.488 1.00 71.15 H new ATOM 0 HE2 TYR A 44 24.526 -8.044 0.363 1.00 24.34 H new ATOM 0 HH TYR A 44 24.696 -6.795 3.394 1.00 11.33 H new ATOM 502 N GLU A 45 25.858 -1.333 -2.809 1.00 25.21 N ATOM 503 CA GLU A 45 26.412 -0.044 -2.413 1.00 3.30 C ATOM 504 C GLU A 45 25.346 0.828 -1.755 1.00 61.50 C ATOM 505 O GLU A 45 25.592 1.990 -1.429 1.00 21.54 O ATOM 506 CB GLU A 45 26.999 0.679 -3.627 1.00 71.05 C ATOM 507 CG GLU A 45 25.946 1.250 -4.563 1.00 24.11 C ATOM 508 CD GLU A 45 26.234 0.945 -6.020 1.00 71.42 C ATOM 509 OE1 GLU A 45 27.301 1.364 -6.514 1.00 44.42 O ATOM 510 OE2 GLU A 45 25.392 0.287 -6.666 1.00 61.44 O ATOM 0 H GLU A 45 25.103 -1.276 -3.492 1.00 25.21 H new ATOM 0 HA GLU A 45 27.206 -0.226 -1.689 1.00 3.30 H new ATOM 0 HB2 GLU A 45 27.643 1.488 -3.281 1.00 71.05 H new ATOM 0 HB3 GLU A 45 27.629 -0.015 -4.183 1.00 71.05 H new ATOM 0 HG2 GLU A 45 24.970 0.844 -4.297 1.00 24.11 H new ATOM 0 HG3 GLU A 45 25.890 2.330 -4.426 1.00 24.11 H new ATOM 517 N LEU A 46 24.161 0.258 -1.564 1.00 1.43 N ATOM 518 CA LEU A 46 23.056 0.982 -0.945 1.00 53.12 C ATOM 519 C LEU A 46 22.588 0.279 0.325 1.00 54.11 C ATOM 520 O LEU A 46 23.029 -0.828 0.632 1.00 75.41 O ATOM 521 CB LEU A 46 21.891 1.112 -1.929 1.00 24.23 C ATOM 522 CG LEU A 46 22.195 1.847 -3.235 1.00 15.34 C ATOM 523 CD1 LEU A 46 21.123 1.555 -4.273 1.00 54.10 C ATOM 524 CD2 LEU A 46 22.308 3.345 -2.989 1.00 71.12 C ATOM 0 H LEU A 46 23.941 -0.702 -1.829 1.00 1.43 H new ATOM 0 HA LEU A 46 23.410 1.977 -0.677 1.00 53.12 H new ATOM 0 HB2 LEU A 46 21.534 0.111 -2.173 1.00 24.23 H new ATOM 0 HB3 LEU A 46 21.073 1.628 -1.427 1.00 24.23 H new ATOM 0 HG LEU A 46 23.150 1.488 -3.618 1.00 15.34 H new ATOM 0 HD11 LEU A 46 21.356 2.086 -5.196 1.00 54.10 H new ATOM 0 HD12 LEU A 46 21.089 0.483 -4.470 1.00 54.10 H new ATOM 0 HD13 LEU A 46 20.154 1.886 -3.898 1.00 54.10 H new ATOM 0 HD21 LEU A 46 22.525 3.853 -3.929 1.00 71.12 H new ATOM 0 HD22 LEU A 46 21.368 3.719 -2.583 1.00 71.12 H new ATOM 0 HD23 LEU A 46 23.112 3.537 -2.279 1.00 71.12 H new ATOM 536 N SER A 47 21.690 0.929 1.059 1.00 50.55 N ATOM 537 CA SER A 47 21.163 0.368 2.297 1.00 73.55 C ATOM 538 C SER A 47 19.765 0.906 2.585 1.00 12.14 C ATOM 539 O SER A 47 19.371 1.951 2.068 1.00 2.43 O ATOM 540 CB SER A 47 22.097 0.688 3.465 1.00 34.22 C ATOM 541 OG SER A 47 21.380 0.763 4.685 1.00 34.52 O ATOM 0 H SER A 47 21.312 1.845 0.817 1.00 50.55 H new ATOM 0 HA SER A 47 21.099 -0.714 2.179 1.00 73.55 H new ATOM 0 HB2 SER A 47 22.868 -0.079 3.539 1.00 34.22 H new ATOM 0 HB3 SER A 47 22.606 1.634 3.280 1.00 34.22 H new ATOM 0 HG SER A 47 21.650 1.568 5.174 1.00 34.52 H new ATOM 547 N SER A 48 19.019 0.184 3.416 1.00 61.25 N ATOM 548 CA SER A 48 17.663 0.586 3.771 1.00 23.33 C ATOM 549 C SER A 48 17.467 0.555 5.284 1.00 51.01 C ATOM 550 O SER A 48 17.393 -0.514 5.891 1.00 71.42 O ATOM 551 CB SER A 48 16.643 -0.331 3.094 1.00 33.24 C ATOM 552 OG SER A 48 15.373 -0.228 3.715 1.00 2.44 O ATOM 0 H SER A 48 19.331 -0.682 3.856 1.00 61.25 H new ATOM 0 HA SER A 48 17.509 1.607 3.423 1.00 23.33 H new ATOM 0 HB2 SER A 48 16.558 -0.069 2.039 1.00 33.24 H new ATOM 0 HB3 SER A 48 16.991 -1.363 3.139 1.00 33.24 H new ATOM 0 HG SER A 48 15.308 -0.887 4.437 1.00 2.44 H new ATOM 558 N LEU A 49 17.383 1.736 5.887 1.00 22.42 N ATOM 559 CA LEU A 49 17.195 1.846 7.330 1.00 42.24 C ATOM 560 C LEU A 49 15.895 1.176 7.762 1.00 10.22 C ATOM 561 O LEU A 49 15.704 0.871 8.940 1.00 63.35 O ATOM 562 CB LEU A 49 17.190 3.316 7.752 1.00 52.42 C ATOM 563 CG LEU A 49 18.067 3.673 8.952 1.00 2.32 C ATOM 564 CD1 LEU A 49 17.461 3.129 10.237 1.00 44.33 C ATOM 565 CD2 LEU A 49 19.479 3.139 8.758 1.00 10.43 C ATOM 0 H LEU A 49 17.442 2.630 5.400 1.00 22.42 H new ATOM 0 HA LEU A 49 18.025 1.337 7.820 1.00 42.24 H new ATOM 0 HB2 LEU A 49 17.510 3.918 6.902 1.00 52.42 H new ATOM 0 HB3 LEU A 49 16.164 3.605 7.979 1.00 52.42 H new ATOM 0 HG LEU A 49 18.118 4.759 9.030 1.00 2.32 H new ATOM 0 HD11 LEU A 49 18.099 3.393 11.080 1.00 44.33 H new ATOM 0 HD12 LEU A 49 16.470 3.560 10.383 1.00 44.33 H new ATOM 0 HD13 LEU A 49 17.379 2.044 10.170 1.00 44.33 H new ATOM 0 HD21 LEU A 49 20.089 3.402 9.622 1.00 10.43 H new ATOM 0 HD22 LEU A 49 19.447 2.054 8.654 1.00 10.43 H new ATOM 0 HD23 LEU A 49 19.913 3.577 7.859 1.00 10.43 H new ATOM 577 N ASP A 50 15.005 0.949 6.803 1.00 70.04 N ATOM 578 CA ASP A 50 13.724 0.312 7.083 1.00 33.25 C ATOM 579 C ASP A 50 13.927 -1.074 7.688 1.00 12.01 C ATOM 580 O ASP A 50 13.134 -1.524 8.516 1.00 33.12 O ATOM 581 CB ASP A 50 12.891 0.207 5.805 1.00 71.22 C ATOM 582 CG ASP A 50 11.424 0.509 6.043 1.00 64.44 C ATOM 583 OD1 ASP A 50 10.984 0.426 7.208 1.00 55.21 O ATOM 584 OD2 ASP A 50 10.717 0.826 5.063 1.00 2.23 O ATOM 0 H ASP A 50 15.147 1.197 5.824 1.00 70.04 H new ATOM 0 HA ASP A 50 13.190 0.930 7.805 1.00 33.25 H new ATOM 0 HB2 ASP A 50 13.285 0.898 5.060 1.00 71.22 H new ATOM 0 HB3 ASP A 50 12.990 -0.797 5.392 1.00 71.22 H new ATOM 589 N LEU A 51 14.993 -1.746 7.269 1.00 70.24 N ATOM 590 CA LEU A 51 15.300 -3.082 7.768 1.00 64.01 C ATOM 591 C LEU A 51 15.392 -3.087 9.291 1.00 55.45 C ATOM 592 O LEU A 51 15.194 -4.119 9.933 1.00 41.14 O ATOM 593 CB LEU A 51 16.614 -3.583 7.166 1.00 61.25 C ATOM 594 CG LEU A 51 17.019 -5.011 7.533 1.00 63.23 C ATOM 595 CD1 LEU A 51 17.727 -5.036 8.878 1.00 2.14 C ATOM 596 CD2 LEU A 51 15.801 -5.923 7.552 1.00 0.11 C ATOM 0 H LEU A 51 15.660 -1.388 6.585 1.00 70.24 H new ATOM 0 HA LEU A 51 14.492 -3.749 7.469 1.00 64.01 H new ATOM 0 HB2 LEU A 51 16.543 -3.515 6.081 1.00 61.25 H new ATOM 0 HB3 LEU A 51 17.413 -2.909 7.476 1.00 61.25 H new ATOM 0 HG LEU A 51 17.711 -5.378 6.775 1.00 63.23 H new ATOM 0 HD11 LEU A 51 18.008 -6.060 9.122 1.00 2.14 H new ATOM 0 HD12 LEU A 51 18.622 -4.416 8.829 1.00 2.14 H new ATOM 0 HD13 LEU A 51 17.059 -4.649 9.648 1.00 2.14 H new ATOM 0 HD21 LEU A 51 16.108 -6.935 7.815 1.00 0.11 H new ATOM 0 HD22 LEU A 51 15.085 -5.558 8.288 1.00 0.11 H new ATOM 0 HD23 LEU A 51 15.336 -5.930 6.566 1.00 0.11 H new ATOM 608 N THR A 52 15.690 -1.925 9.864 1.00 10.10 N ATOM 609 CA THR A 52 15.806 -1.794 11.311 1.00 61.31 C ATOM 610 C THR A 52 14.717 -0.886 11.870 1.00 33.52 C ATOM 611 O THR A 52 13.855 -0.408 11.133 1.00 73.33 O ATOM 612 CB THR A 52 17.183 -1.235 11.716 1.00 51.32 C ATOM 613 OG1 THR A 52 17.536 -0.139 10.864 1.00 10.13 O ATOM 614 CG2 THR A 52 18.252 -2.314 11.632 1.00 53.15 C ATOM 0 H THR A 52 15.855 -1.061 9.348 1.00 10.10 H new ATOM 0 HA THR A 52 15.691 -2.794 11.729 1.00 61.31 H new ATOM 0 HB THR A 52 17.121 -0.888 12.747 1.00 51.32 H new ATOM 0 HG1 THR A 52 16.740 0.172 10.384 1.00 10.13 H new ATOM 0 HG21 THR A 52 19.215 -1.895 11.923 1.00 53.15 H new ATOM 0 HG22 THR A 52 17.995 -3.134 12.303 1.00 53.15 H new ATOM 0 HG23 THR A 52 18.312 -2.688 10.610 1.00 53.15 H new ATOM 622 N ASP A 53 14.762 -0.652 13.177 1.00 34.30 N ATOM 623 CA ASP A 53 13.779 0.201 13.835 1.00 33.52 C ATOM 624 C ASP A 53 14.367 1.576 14.135 1.00 33.12 C ATOM 625 O ASP A 53 13.667 2.473 14.606 1.00 33.52 O ATOM 626 CB ASP A 53 13.291 -0.452 15.129 1.00 35.43 C ATOM 627 CG ASP A 53 11.888 -0.015 15.505 1.00 23.41 C ATOM 628 OD1 ASP A 53 10.944 -0.347 14.759 1.00 51.04 O ATOM 629 OD2 ASP A 53 11.735 0.659 16.545 1.00 3.02 O ATOM 0 H ASP A 53 15.468 -1.041 13.802 1.00 34.30 H new ATOM 0 HA ASP A 53 12.933 0.327 13.159 1.00 33.52 H new ATOM 0 HB2 ASP A 53 13.313 -1.536 15.016 1.00 35.43 H new ATOM 0 HB3 ASP A 53 13.976 -0.202 15.939 1.00 35.43 H new ATOM 634 N PHE A 54 15.657 1.735 13.860 1.00 20.11 N ATOM 635 CA PHE A 54 16.340 3.000 14.102 1.00 1.34 C ATOM 636 C PHE A 54 15.734 4.116 13.256 1.00 44.11 C ATOM 637 O PHE A 54 15.069 3.858 12.253 1.00 75.13 O ATOM 638 CB PHE A 54 17.833 2.865 13.796 1.00 40.23 C ATOM 639 CG PHE A 54 18.457 1.632 14.385 1.00 52.43 C ATOM 640 CD1 PHE A 54 18.543 1.472 15.758 1.00 31.12 C ATOM 641 CD2 PHE A 54 18.958 0.634 13.565 1.00 52.14 C ATOM 642 CE1 PHE A 54 19.116 0.338 16.303 1.00 0.55 C ATOM 643 CE2 PHE A 54 19.532 -0.502 14.104 1.00 15.41 C ATOM 644 CZ PHE A 54 19.612 -0.649 15.475 1.00 31.11 C ATOM 0 H PHE A 54 16.251 1.003 13.469 1.00 20.11 H new ATOM 0 HA PHE A 54 16.214 3.257 15.154 1.00 1.34 H new ATOM 0 HB2 PHE A 54 17.975 2.853 12.715 1.00 40.23 H new ATOM 0 HB3 PHE A 54 18.354 3.743 14.176 1.00 40.23 H new ATOM 0 HD1 PHE A 54 18.158 2.242 16.410 1.00 31.12 H new ATOM 0 HD2 PHE A 54 18.899 0.745 12.492 1.00 52.14 H new ATOM 0 HE1 PHE A 54 19.176 0.224 17.375 1.00 0.55 H new ATOM 0 HE2 PHE A 54 19.917 -1.274 13.454 1.00 15.41 H new ATOM 0 HZ PHE A 54 20.062 -1.535 15.899 1.00 31.11 H new ATOM 654 N HIS A 55 15.970 5.358 13.668 1.00 32.31 N ATOM 655 CA HIS A 55 15.448 6.514 12.948 1.00 12.04 C ATOM 656 C HIS A 55 16.562 7.233 12.195 1.00 45.51 C ATOM 657 O HIS A 55 16.381 8.354 11.717 1.00 23.01 O ATOM 658 CB HIS A 55 14.766 7.480 13.918 1.00 21.21 C ATOM 659 CG HIS A 55 13.270 7.431 13.860 1.00 63.41 C ATOM 660 ND1 HIS A 55 12.551 6.259 13.971 1.00 50.43 N ATOM 661 CD2 HIS A 55 12.358 8.418 13.703 1.00 35.32 C ATOM 662 CE1 HIS A 55 11.260 6.528 13.883 1.00 65.01 C ATOM 663 NE2 HIS A 55 11.116 7.831 13.721 1.00 61.13 N ATOM 0 H HIS A 55 16.519 5.589 14.496 1.00 32.31 H new ATOM 0 HA HIS A 55 14.714 6.159 12.224 1.00 12.04 H new ATOM 0 HB2 HIS A 55 15.090 7.251 14.933 1.00 21.21 H new ATOM 0 HB3 HIS A 55 15.097 8.495 13.699 1.00 21.21 H new ATOM 0 HD2 HIS A 55 12.567 9.471 13.585 1.00 35.32 H new ATOM 0 HE1 HIS A 55 10.459 5.805 13.935 1.00 65.01 H new ATOM 0 HE2 HIS A 55 10.227 8.322 13.625 1.00 61.13 H new ATOM 671 N THR A 56 17.717 6.582 12.093 1.00 42.54 N ATOM 672 CA THR A 56 18.862 7.160 11.399 1.00 14.34 C ATOM 673 C THR A 56 20.024 6.176 11.341 1.00 32.44 C ATOM 674 O THR A 56 20.110 5.256 12.154 1.00 62.30 O ATOM 675 CB THR A 56 19.336 8.457 12.082 1.00 12.12 C ATOM 676 OG1 THR A 56 20.709 8.705 11.763 1.00 64.14 O ATOM 677 CG2 THR A 56 19.170 8.366 13.592 1.00 74.14 C ATOM 0 H THR A 56 17.884 5.654 12.482 1.00 42.54 H new ATOM 0 HA THR A 56 18.534 7.390 10.385 1.00 14.34 H new ATOM 0 HB THR A 56 18.723 9.280 11.714 1.00 12.12 H new ATOM 0 HG1 THR A 56 20.787 9.566 11.302 1.00 64.14 H new ATOM 0 HG21 THR A 56 19.511 9.293 14.052 1.00 74.14 H new ATOM 0 HG22 THR A 56 18.119 8.206 13.834 1.00 74.14 H new ATOM 0 HG23 THR A 56 19.760 7.533 13.973 1.00 74.14 H new ATOM 685 N GLU A 57 20.916 6.376 10.376 1.00 75.11 N ATOM 686 CA GLU A 57 22.073 5.504 10.213 1.00 31.02 C ATOM 687 C GLU A 57 22.978 5.567 11.440 1.00 45.21 C ATOM 688 O GLU A 57 23.610 4.578 11.812 1.00 72.22 O ATOM 689 CB GLU A 57 22.862 5.895 8.962 1.00 3.43 C ATOM 690 CG GLU A 57 21.990 6.131 7.741 1.00 53.21 C ATOM 691 CD GLU A 57 22.021 7.573 7.271 1.00 61.40 C ATOM 692 OE1 GLU A 57 21.893 8.478 8.122 1.00 73.54 O ATOM 693 OE2 GLU A 57 22.175 7.795 6.052 1.00 54.14 O ATOM 0 H GLU A 57 20.860 7.134 9.696 1.00 75.11 H new ATOM 0 HA GLU A 57 21.713 4.481 10.101 1.00 31.02 H new ATOM 0 HB2 GLU A 57 23.433 6.800 9.171 1.00 3.43 H new ATOM 0 HB3 GLU A 57 23.583 5.109 8.737 1.00 3.43 H new ATOM 0 HG2 GLU A 57 22.322 5.482 6.931 1.00 53.21 H new ATOM 0 HG3 GLU A 57 20.963 5.851 7.973 1.00 53.21 H new ATOM 700 N LYS A 58 23.037 6.738 12.065 1.00 45.45 N ATOM 701 CA LYS A 58 23.864 6.933 13.250 1.00 42.34 C ATOM 702 C LYS A 58 23.458 5.971 14.361 1.00 73.31 C ATOM 703 O LYS A 58 24.300 5.496 15.121 1.00 24.42 O ATOM 704 CB LYS A 58 23.751 8.377 13.744 1.00 12.12 C ATOM 705 CG LYS A 58 22.437 8.679 14.443 1.00 15.02 C ATOM 706 CD LYS A 58 22.020 10.127 14.246 1.00 74.24 C ATOM 707 CE LYS A 58 21.299 10.671 15.470 1.00 42.35 C ATOM 708 NZ LYS A 58 22.216 10.815 16.634 1.00 32.24 N ATOM 0 H LYS A 58 22.521 7.567 11.770 1.00 45.45 H new ATOM 0 HA LYS A 58 24.899 6.729 12.977 1.00 42.34 H new ATOM 0 HB2 LYS A 58 24.573 8.583 14.429 1.00 12.12 H new ATOM 0 HB3 LYS A 58 23.866 9.052 12.896 1.00 12.12 H new ATOM 0 HG2 LYS A 58 21.659 8.020 14.058 1.00 15.02 H new ATOM 0 HG3 LYS A 58 22.534 8.469 15.508 1.00 15.02 H new ATOM 0 HD2 LYS A 58 22.901 10.736 14.041 1.00 74.24 H new ATOM 0 HD3 LYS A 58 21.369 10.204 13.375 1.00 74.24 H new ATOM 0 HE2 LYS A 58 20.859 11.639 15.232 1.00 42.35 H new ATOM 0 HE3 LYS A 58 20.478 10.004 15.734 1.00 42.35 H new ATOM 0 HZ1 LYS A 58 21.838 11.531 17.287 1.00 32.24 H new ATOM 0 HZ2 LYS A 58 22.296 9.903 17.128 1.00 32.24 H new ATOM 0 HZ3 LYS A 58 23.156 11.111 16.301 1.00 32.24 H new ATOM 722 N GLU A 59 22.162 5.687 14.447 1.00 12.14 N ATOM 723 CA GLU A 59 21.645 4.780 15.466 1.00 43.32 C ATOM 724 C GLU A 59 22.006 3.334 15.140 1.00 73.24 C ATOM 725 O GLU A 59 22.278 2.533 16.035 1.00 74.41 O ATOM 726 CB GLU A 59 20.127 4.924 15.586 1.00 53.41 C ATOM 727 CG GLU A 59 19.685 5.712 16.808 1.00 51.44 C ATOM 728 CD GLU A 59 19.093 4.829 17.889 1.00 54.34 C ATOM 729 OE1 GLU A 59 17.929 4.403 17.736 1.00 12.41 O ATOM 730 OE2 GLU A 59 19.794 4.564 18.887 1.00 30.04 O ATOM 0 H GLU A 59 21.451 6.071 13.824 1.00 12.14 H new ATOM 0 HA GLU A 59 22.104 5.045 16.419 1.00 43.32 H new ATOM 0 HB2 GLU A 59 19.745 5.414 14.690 1.00 53.41 H new ATOM 0 HB3 GLU A 59 19.678 3.931 15.622 1.00 53.41 H new ATOM 0 HG2 GLU A 59 20.539 6.254 17.214 1.00 51.44 H new ATOM 0 HG3 GLU A 59 18.948 6.457 16.508 1.00 51.44 H new ATOM 737 N LEU A 60 22.005 3.006 13.852 1.00 0.22 N ATOM 738 CA LEU A 60 22.331 1.656 13.406 1.00 3.11 C ATOM 739 C LEU A 60 23.803 1.342 13.653 1.00 23.20 C ATOM 740 O LEU A 60 24.143 0.279 14.171 1.00 74.21 O ATOM 741 CB LEU A 60 22.006 1.496 11.920 1.00 43.41 C ATOM 742 CG LEU A 60 21.964 0.062 11.393 1.00 75.24 C ATOM 743 CD1 LEU A 60 20.796 -0.121 10.435 1.00 11.53 C ATOM 744 CD2 LEU A 60 23.276 -0.295 10.710 1.00 50.21 C ATOM 0 H LEU A 60 21.782 3.657 13.099 1.00 0.22 H new ATOM 0 HA LEU A 60 21.727 0.954 13.981 1.00 3.11 H new ATOM 0 HB2 LEU A 60 21.039 1.961 11.728 1.00 43.41 H new ATOM 0 HB3 LEU A 60 22.747 2.052 11.345 1.00 43.41 H new ATOM 0 HG LEU A 60 21.823 -0.611 12.239 1.00 75.24 H new ATOM 0 HD11 LEU A 60 20.782 -1.148 10.070 1.00 11.53 H new ATOM 0 HD12 LEU A 60 19.862 0.092 10.955 1.00 11.53 H new ATOM 0 HD13 LEU A 60 20.906 0.562 9.593 1.00 11.53 H new ATOM 0 HD21 LEU A 60 23.227 -1.320 10.341 1.00 50.21 H new ATOM 0 HD22 LEU A 60 23.448 0.384 9.874 1.00 50.21 H new ATOM 0 HD23 LEU A 60 24.094 -0.205 11.424 1.00 50.21 H new ATOM 756 N ASN A 61 24.673 2.275 13.280 1.00 10.25 N ATOM 757 CA ASN A 61 26.109 2.098 13.463 1.00 0.41 C ATOM 758 C ASN A 61 26.482 2.169 14.941 1.00 43.53 C ATOM 759 O ASN A 61 27.308 1.393 15.421 1.00 62.00 O ATOM 760 CB ASN A 61 26.879 3.163 12.679 1.00 12.33 C ATOM 761 CG ASN A 61 27.732 2.566 11.577 1.00 71.00 C ATOM 762 OD1 ASN A 61 28.893 2.937 11.405 1.00 50.40 O ATOM 763 ND2 ASN A 61 27.158 1.635 10.824 1.00 51.25 N ATOM 0 H ASN A 61 24.409 3.161 12.849 1.00 10.25 H new ATOM 0 HA ASN A 61 26.380 1.112 13.085 1.00 0.41 H new ATOM 0 HB2 ASN A 61 26.174 3.872 12.245 1.00 12.33 H new ATOM 0 HB3 ASN A 61 27.515 3.725 13.363 1.00 12.33 H new ATOM 0 HD21 ASN A 61 27.682 1.197 10.067 1.00 51.25 H new ATOM 0 HD22 ASN A 61 26.193 1.358 11.003 1.00 51.25 H new ATOM 770 N ASP A 62 25.868 3.105 15.656 1.00 51.30 N ATOM 771 CA ASP A 62 26.134 3.277 17.079 1.00 12.25 C ATOM 772 C ASP A 62 25.693 2.047 17.867 1.00 12.51 C ATOM 773 O ASP A 62 26.371 1.619 18.801 1.00 32.21 O ATOM 774 CB ASP A 62 25.417 4.521 17.607 1.00 34.45 C ATOM 775 CG ASP A 62 26.123 5.805 17.219 1.00 34.13 C ATOM 776 OD1 ASP A 62 26.999 5.755 16.331 1.00 42.30 O ATOM 777 OD2 ASP A 62 25.798 6.860 17.803 1.00 30.33 O ATOM 0 H ASP A 62 25.183 3.756 15.273 1.00 51.30 H new ATOM 0 HA ASP A 62 27.209 3.404 17.210 1.00 12.25 H new ATOM 0 HB2 ASP A 62 24.397 4.540 17.222 1.00 34.45 H new ATOM 0 HB3 ASP A 62 25.347 4.463 18.693 1.00 34.45 H new ATOM 782 N LYS A 63 24.552 1.484 17.485 1.00 54.41 N ATOM 783 CA LYS A 63 24.019 0.304 18.154 1.00 33.31 C ATOM 784 C LYS A 63 25.028 -0.839 18.127 1.00 63.41 C ATOM 785 O LYS A 63 25.083 -1.655 19.048 1.00 32.22 O ATOM 786 CB LYS A 63 22.713 -0.139 17.489 1.00 2.15 C ATOM 787 CG LYS A 63 22.219 -1.495 17.963 1.00 14.31 C ATOM 788 CD LYS A 63 22.212 -2.511 16.834 1.00 74.41 C ATOM 789 CE LYS A 63 23.446 -3.400 16.876 1.00 54.40 C ATOM 790 NZ LYS A 63 23.545 -4.151 18.158 1.00 73.12 N ATOM 0 H LYS A 63 23.978 1.827 16.715 1.00 54.41 H new ATOM 0 HA LYS A 63 23.820 0.566 19.193 1.00 33.31 H new ATOM 0 HB2 LYS A 63 21.944 0.608 17.685 1.00 2.15 H new ATOM 0 HB3 LYS A 63 22.858 -0.171 16.409 1.00 2.15 H new ATOM 0 HG2 LYS A 63 22.856 -1.853 18.772 1.00 14.31 H new ATOM 0 HG3 LYS A 63 21.213 -1.395 18.370 1.00 14.31 H new ATOM 0 HD2 LYS A 63 21.316 -3.127 16.903 1.00 74.41 H new ATOM 0 HD3 LYS A 63 22.169 -1.992 15.876 1.00 74.41 H new ATOM 0 HE2 LYS A 63 23.415 -4.104 16.044 1.00 54.40 H new ATOM 0 HE3 LYS A 63 24.339 -2.789 16.743 1.00 54.40 H new ATOM 0 HZ1 LYS A 63 24.405 -3.861 18.665 1.00 73.12 H new ATOM 0 HZ2 LYS A 63 22.712 -3.946 18.745 1.00 73.12 H new ATOM 0 HZ3 LYS A 63 23.587 -5.171 17.960 1.00 73.12 H new ATOM 804 N LEU A 64 25.827 -0.892 17.067 1.00 72.14 N ATOM 805 CA LEU A 64 26.837 -1.935 16.920 1.00 15.13 C ATOM 806 C LEU A 64 27.694 -2.042 18.177 1.00 65.22 C ATOM 807 O LEU A 64 28.115 -3.132 18.561 1.00 25.25 O ATOM 808 CB LEU A 64 27.723 -1.648 15.707 1.00 54.51 C ATOM 809 CG LEU A 64 27.001 -1.512 14.366 1.00 52.52 C ATOM 810 CD1 LEU A 64 27.887 -2.000 13.231 1.00 41.04 C ATOM 811 CD2 LEU A 64 25.687 -2.279 14.387 1.00 11.11 C ATOM 0 H LEU A 64 25.795 -0.225 16.296 1.00 72.14 H new ATOM 0 HA LEU A 64 26.324 -2.885 16.770 1.00 15.13 H new ATOM 0 HB2 LEU A 64 28.275 -0.727 15.895 1.00 54.51 H new ATOM 0 HB3 LEU A 64 28.458 -2.448 15.622 1.00 54.51 H new ATOM 0 HG LEU A 64 26.780 -0.458 14.200 1.00 52.52 H new ATOM 0 HD11 LEU A 64 27.356 -1.896 12.285 1.00 41.04 H new ATOM 0 HD12 LEU A 64 28.801 -1.407 13.202 1.00 41.04 H new ATOM 0 HD13 LEU A 64 28.140 -3.048 13.392 1.00 41.04 H new ATOM 0 HD21 LEU A 64 25.187 -2.171 13.424 1.00 11.11 H new ATOM 0 HD22 LEU A 64 25.885 -3.334 14.577 1.00 11.11 H new ATOM 0 HD23 LEU A 64 25.047 -1.882 15.175 1.00 11.11 H new ATOM 823 N ASN A 65 27.948 -0.903 18.813 1.00 33.23 N ATOM 824 CA ASN A 65 28.754 -0.869 20.028 1.00 21.40 C ATOM 825 C ASN A 65 28.204 -1.835 21.073 1.00 13.34 C ATOM 826 O ASN A 65 28.962 -2.507 21.772 1.00 32.35 O ATOM 827 CB ASN A 65 28.795 0.550 20.599 1.00 75.51 C ATOM 828 CG ASN A 65 29.797 1.433 19.881 1.00 13.05 C ATOM 829 OD1 ASN A 65 30.929 1.025 19.625 1.00 24.51 O ATOM 830 ND2 ASN A 65 29.383 2.652 19.554 1.00 30.30 N ATOM 0 H ASN A 65 27.607 0.009 18.507 1.00 33.23 H new ATOM 0 HA ASN A 65 29.767 -1.179 19.771 1.00 21.40 H new ATOM 0 HB2 ASN A 65 27.803 0.997 20.526 1.00 75.51 H new ATOM 0 HB3 ASN A 65 29.048 0.505 21.658 1.00 75.51 H new ATOM 0 HD21 ASN A 65 30.013 3.292 19.071 1.00 30.30 H new ATOM 0 HD22 ASN A 65 28.435 2.948 19.786 1.00 30.30 H new ATOM 837 N ASP A 66 26.881 -1.898 21.174 1.00 54.32 N ATOM 838 CA ASP A 66 26.228 -2.782 22.132 1.00 13.24 C ATOM 839 C ASP A 66 26.567 -4.241 21.844 1.00 12.13 C ATOM 840 O ASP A 66 26.880 -5.008 22.755 1.00 11.44 O ATOM 841 CB ASP A 66 24.712 -2.580 22.094 1.00 20.31 C ATOM 842 CG ASP A 66 24.193 -1.858 23.322 1.00 52.13 C ATOM 843 OD1 ASP A 66 24.169 -0.610 23.309 1.00 13.41 O ATOM 844 OD2 ASP A 66 23.811 -2.541 24.295 1.00 4.15 O ATOM 0 H ASP A 66 26.239 -1.347 20.604 1.00 54.32 H new ATOM 0 HA ASP A 66 26.595 -2.533 23.128 1.00 13.24 H new ATOM 0 HB2 ASP A 66 24.446 -2.012 21.203 1.00 20.31 H new ATOM 0 HB3 ASP A 66 24.221 -3.550 22.012 1.00 20.31 H new ATOM 849 N TYR A 67 26.501 -4.618 20.572 1.00 22.03 N ATOM 850 CA TYR A 67 26.798 -5.986 20.164 1.00 32.15 C ATOM 851 C TYR A 67 28.299 -6.256 20.213 1.00 54.10 C ATOM 852 O TYR A 67 28.731 -7.380 20.470 1.00 11.31 O ATOM 853 CB TYR A 67 26.267 -6.246 18.754 1.00 72.52 C ATOM 854 CG TYR A 67 27.354 -6.502 17.735 1.00 25.51 C ATOM 855 CD1 TYR A 67 27.948 -7.754 17.624 1.00 40.15 C ATOM 856 CD2 TYR A 67 27.789 -5.493 16.885 1.00 23.21 C ATOM 857 CE1 TYR A 67 28.943 -7.993 16.695 1.00 54.52 C ATOM 858 CE2 TYR A 67 28.782 -5.723 15.953 1.00 61.14 C ATOM 859 CZ TYR A 67 29.356 -6.974 15.861 1.00 32.14 C ATOM 860 OH TYR A 67 30.346 -7.207 14.935 1.00 41.33 O ATOM 0 H TYR A 67 26.244 -3.996 19.806 1.00 22.03 H new ATOM 0 HA TYR A 67 26.303 -6.662 20.862 1.00 32.15 H new ATOM 0 HB2 TYR A 67 25.596 -7.104 18.780 1.00 72.52 H new ATOM 0 HB3 TYR A 67 25.675 -5.388 18.434 1.00 72.52 H new ATOM 0 HD1 TYR A 67 27.626 -8.554 18.275 1.00 40.15 H new ATOM 0 HD2 TYR A 67 27.343 -4.512 16.954 1.00 23.21 H new ATOM 0 HE1 TYR A 67 29.395 -8.971 16.622 1.00 54.52 H new ATOM 0 HE2 TYR A 67 29.108 -4.927 15.299 1.00 61.14 H new ATOM 0 HH TYR A 67 30.518 -6.387 14.427 1.00 41.33 H new ATOM 870 N TYR A 68 29.088 -5.217 19.965 1.00 52.25 N ATOM 871 CA TYR A 68 30.541 -5.340 19.978 1.00 74.13 C ATOM 872 C TYR A 68 31.017 -6.039 21.248 1.00 54.33 C ATOM 873 O TYR A 68 32.011 -6.763 21.235 1.00 24.05 O ATOM 874 CB TYR A 68 31.192 -3.960 19.867 1.00 74.43 C ATOM 875 CG TYR A 68 31.667 -3.625 18.471 1.00 75.52 C ATOM 876 CD1 TYR A 68 32.778 -4.254 17.924 1.00 25.14 C ATOM 877 CD2 TYR A 68 31.002 -2.681 17.698 1.00 43.20 C ATOM 878 CE1 TYR A 68 33.216 -3.950 16.650 1.00 62.52 C ATOM 879 CE2 TYR A 68 31.432 -2.372 16.422 1.00 60.02 C ATOM 880 CZ TYR A 68 32.540 -3.009 15.902 1.00 34.15 C ATOM 881 OH TYR A 68 32.972 -2.705 14.632 1.00 53.11 O ATOM 0 H TYR A 68 28.746 -4.280 19.752 1.00 52.25 H new ATOM 0 HA TYR A 68 30.837 -5.944 19.120 1.00 74.13 H new ATOM 0 HB2 TYR A 68 30.477 -3.203 20.190 1.00 74.43 H new ATOM 0 HB3 TYR A 68 32.039 -3.911 20.551 1.00 74.43 H new ATOM 0 HD1 TYR A 68 33.309 -4.994 18.505 1.00 25.14 H new ATOM 0 HD2 TYR A 68 30.134 -2.180 18.102 1.00 43.20 H new ATOM 0 HE1 TYR A 68 34.084 -4.447 16.242 1.00 62.52 H new ATOM 0 HE2 TYR A 68 30.904 -1.636 15.835 1.00 60.02 H new ATOM 0 HH TYR A 68 32.386 -2.024 14.241 1.00 53.11 H new ATOM 891 N ALA A 69 30.297 -5.816 22.343 1.00 45.51 N ATOM 892 CA ALA A 69 30.643 -6.425 23.621 1.00 2.21 C ATOM 893 C ALA A 69 30.750 -7.941 23.496 1.00 42.33 C ATOM 894 O ALA A 69 31.539 -8.578 24.196 1.00 54.15 O ATOM 895 CB ALA A 69 29.615 -6.052 24.679 1.00 51.02 C ATOM 0 H ALA A 69 29.471 -5.218 22.370 1.00 45.51 H new ATOM 0 HA ALA A 69 31.617 -6.042 23.926 1.00 2.21 H new ATOM 0 HB1 ALA A 69 29.886 -6.514 25.628 1.00 51.02 H new ATOM 0 HB2 ALA A 69 29.590 -4.969 24.796 1.00 51.02 H new ATOM 0 HB3 ALA A 69 28.631 -6.406 24.371 1.00 51.02 H new ATOM 901 N LEU A 70 29.952 -8.513 22.601 1.00 64.30 N ATOM 902 CA LEU A 70 29.957 -9.956 22.384 1.00 11.12 C ATOM 903 C LEU A 70 31.329 -10.432 21.917 1.00 33.13 C ATOM 904 O LEU A 70 31.647 -11.619 21.999 1.00 2.41 O ATOM 905 CB LEU A 70 28.893 -10.340 21.354 1.00 2.01 C ATOM 906 CG LEU A 70 28.438 -11.800 21.372 1.00 50.43 C ATOM 907 CD1 LEU A 70 26.975 -11.897 21.774 1.00 75.54 C ATOM 908 CD2 LEU A 70 28.664 -12.445 20.012 1.00 31.23 C ATOM 0 H LEU A 70 29.294 -8.000 22.014 1.00 64.30 H new ATOM 0 HA LEU A 70 29.728 -10.442 23.332 1.00 11.12 H new ATOM 0 HB2 LEU A 70 28.020 -9.706 21.509 1.00 2.01 H new ATOM 0 HB3 LEU A 70 29.279 -10.113 20.360 1.00 2.01 H new ATOM 0 HG LEU A 70 29.033 -12.338 22.110 1.00 50.43 H new ATOM 0 HD11 LEU A 70 26.668 -12.943 21.781 1.00 75.54 H new ATOM 0 HD12 LEU A 70 26.842 -11.473 22.769 1.00 75.54 H new ATOM 0 HD13 LEU A 70 26.364 -11.345 21.060 1.00 75.54 H new ATOM 0 HD21 LEU A 70 28.335 -13.484 20.043 1.00 31.23 H new ATOM 0 HD22 LEU A 70 28.095 -11.906 19.255 1.00 31.23 H new ATOM 0 HD23 LEU A 70 29.725 -12.408 19.763 1.00 31.23 H new ATOM 920 N LYS A 71 32.139 -9.499 21.429 1.00 14.21 N ATOM 921 CA LYS A 71 33.478 -9.821 20.952 1.00 3.11 C ATOM 922 C LYS A 71 34.237 -10.654 21.981 1.00 55.33 C ATOM 923 O LYS A 71 35.076 -11.482 21.627 1.00 42.04 O ATOM 924 CB LYS A 71 34.255 -8.538 20.646 1.00 60.41 C ATOM 925 CG LYS A 71 34.688 -7.779 21.888 1.00 44.43 C ATOM 926 CD LYS A 71 35.561 -6.586 21.535 1.00 5.04 C ATOM 927 CE LYS A 71 34.725 -5.389 21.112 1.00 52.45 C ATOM 928 NZ LYS A 71 34.149 -4.672 22.283 1.00 41.31 N ATOM 0 H LYS A 71 31.891 -8.513 21.353 1.00 14.21 H new ATOM 0 HA LYS A 71 33.380 -10.406 20.038 1.00 3.11 H new ATOM 0 HB2 LYS A 71 35.138 -8.789 20.058 1.00 60.41 H new ATOM 0 HB3 LYS A 71 33.636 -7.886 20.030 1.00 60.41 H new ATOM 0 HG2 LYS A 71 33.808 -7.438 22.433 1.00 44.43 H new ATOM 0 HG3 LYS A 71 35.235 -8.448 22.552 1.00 44.43 H new ATOM 0 HD2 LYS A 71 36.175 -6.317 22.394 1.00 5.04 H new ATOM 0 HD3 LYS A 71 36.242 -6.858 20.729 1.00 5.04 H new ATOM 0 HE2 LYS A 71 35.342 -4.702 20.533 1.00 52.45 H new ATOM 0 HE3 LYS A 71 33.919 -5.722 20.458 1.00 52.45 H new ATOM 0 HZ1 LYS A 71 33.686 -3.798 21.962 1.00 41.31 H new ATOM 0 HZ2 LYS A 71 33.450 -5.281 22.753 1.00 41.31 H new ATOM 0 HZ3 LYS A 71 34.908 -4.435 22.953 1.00 41.31 H new ATOM 942 N HIS A 72 33.934 -10.430 23.256 1.00 43.13 N ATOM 943 CA HIS A 72 34.586 -11.162 24.336 1.00 43.31 C ATOM 944 C HIS A 72 34.555 -12.664 24.070 1.00 4.24 C ATOM 945 O HIS A 72 35.519 -13.375 24.355 1.00 45.25 O ATOM 946 CB HIS A 72 33.908 -10.854 25.671 1.00 11.11 C ATOM 947 CG HIS A 72 34.771 -10.077 26.617 1.00 65.14 C ATOM 948 ND1 HIS A 72 34.804 -10.315 27.974 1.00 21.24 N ATOM 949 CD2 HIS A 72 35.639 -9.062 26.393 1.00 32.31 C ATOM 950 CE1 HIS A 72 35.653 -9.479 28.545 1.00 32.35 C ATOM 951 NE2 HIS A 72 36.173 -8.708 27.608 1.00 63.54 N ATOM 0 H HIS A 72 33.242 -9.748 23.566 1.00 43.13 H new ATOM 0 HA HIS A 72 35.627 -10.841 24.383 1.00 43.31 H new ATOM 0 HB2 HIS A 72 32.993 -10.293 25.483 1.00 11.11 H new ATOM 0 HB3 HIS A 72 33.616 -11.791 26.145 1.00 11.11 H new ATOM 0 HD2 HIS A 72 35.869 -8.614 25.437 1.00 32.31 H new ATOM 0 HE1 HIS A 72 35.883 -9.434 29.599 1.00 32.35 H new ATOM 0 HE2 HIS A 72 36.860 -7.970 27.761 1.00 63.54 H new ATOM 959 N VAL A 73 33.441 -13.141 23.525 1.00 41.34 N ATOM 960 CA VAL A 73 33.285 -14.558 23.221 1.00 74.14 C ATOM 961 C VAL A 73 33.538 -14.834 21.743 1.00 71.41 C ATOM 962 O VAL A 73 32.815 -14.363 20.865 1.00 71.12 O ATOM 963 CB VAL A 73 31.876 -15.059 23.591 1.00 22.43 C ATOM 964 CG1 VAL A 73 31.784 -16.568 23.421 1.00 62.14 C ATOM 965 CG2 VAL A 73 31.524 -14.653 25.014 1.00 31.12 C ATOM 0 H VAL A 73 32.633 -12.567 23.285 1.00 41.34 H new ATOM 0 HA VAL A 73 34.022 -15.093 23.819 1.00 74.14 H new ATOM 0 HB VAL A 73 31.156 -14.597 22.916 1.00 22.43 H new ATOM 0 HG11 VAL A 73 30.782 -16.904 23.687 1.00 62.14 H new ATOM 0 HG12 VAL A 73 31.991 -16.831 22.384 1.00 62.14 H new ATOM 0 HG13 VAL A 73 32.513 -17.052 24.070 1.00 62.14 H new ATOM 0 HG21 VAL A 73 30.525 -15.015 25.259 1.00 31.12 H new ATOM 0 HG22 VAL A 73 32.247 -15.086 25.705 1.00 31.12 H new ATOM 0 HG23 VAL A 73 31.547 -13.567 25.099 1.00 31.12 H new ATOM 975 N PRO A 74 34.589 -15.617 21.459 1.00 23.41 N ATOM 976 CA PRO A 74 34.962 -15.976 20.087 1.00 2.44 C ATOM 977 C PRO A 74 33.957 -16.924 19.442 1.00 3.13 C ATOM 978 O PRO A 74 33.568 -16.742 18.289 1.00 51.44 O ATOM 979 CB PRO A 74 36.317 -16.667 20.257 1.00 22.24 C ATOM 980 CG PRO A 74 36.301 -17.195 21.650 1.00 0.04 C ATOM 981 CD PRO A 74 35.495 -16.214 22.456 1.00 54.04 C ATOM 0 HA PRO A 74 34.992 -15.105 19.432 1.00 2.44 H new ATOM 0 HB2 PRO A 74 36.446 -17.470 19.531 1.00 22.24 H new ATOM 0 HB3 PRO A 74 37.140 -15.967 20.108 1.00 22.24 H new ATOM 0 HG2 PRO A 74 35.855 -18.189 21.685 1.00 0.04 H new ATOM 0 HG3 PRO A 74 37.313 -17.286 22.045 1.00 0.04 H new ATOM 0 HD2 PRO A 74 34.943 -16.708 23.256 1.00 54.04 H new ATOM 0 HD3 PRO A 74 36.129 -15.461 22.924 1.00 54.04 H new ATOM 989 N LYS A 75 33.540 -17.937 20.194 1.00 61.01 N ATOM 990 CA LYS A 75 32.579 -18.914 19.697 1.00 53.02 C ATOM 991 C LYS A 75 31.341 -18.222 19.135 1.00 51.01 C ATOM 992 O LYS A 75 30.878 -18.547 18.041 1.00 21.00 O ATOM 993 CB LYS A 75 32.174 -19.877 20.815 1.00 1.24 C ATOM 994 CG LYS A 75 33.336 -20.677 21.378 1.00 35.45 C ATOM 995 CD LYS A 75 33.648 -21.888 20.516 1.00 64.44 C ATOM 996 CE LYS A 75 35.141 -22.017 20.256 1.00 65.01 C ATOM 997 NZ LYS A 75 35.432 -22.968 19.147 1.00 32.25 N ATOM 0 H LYS A 75 33.853 -18.103 21.151 1.00 61.01 H new ATOM 0 HA LYS A 75 33.055 -19.478 18.895 1.00 53.02 H new ATOM 0 HB2 LYS A 75 31.710 -19.310 21.622 1.00 1.24 H new ATOM 0 HB3 LYS A 75 31.420 -20.566 20.435 1.00 1.24 H new ATOM 0 HG2 LYS A 75 34.218 -20.040 21.446 1.00 35.45 H new ATOM 0 HG3 LYS A 75 33.099 -21.002 22.391 1.00 35.45 H new ATOM 0 HD2 LYS A 75 33.284 -22.790 21.008 1.00 64.44 H new ATOM 0 HD3 LYS A 75 33.118 -21.807 19.567 1.00 64.44 H new ATOM 0 HE2 LYS A 75 35.553 -21.038 20.012 1.00 65.01 H new ATOM 0 HE3 LYS A 75 35.640 -22.355 21.164 1.00 65.01 H new ATOM 0 HZ1 LYS A 75 36.460 -23.028 19.001 1.00 32.25 H new ATOM 0 HZ2 LYS A 75 35.062 -23.909 19.390 1.00 32.25 H new ATOM 0 HZ3 LYS A 75 34.978 -22.632 18.274 1.00 32.25 H new ATOM 1011 N CYS A 76 30.810 -17.266 19.889 1.00 13.50 N ATOM 1012 CA CYS A 76 29.626 -16.526 19.466 1.00 23.44 C ATOM 1013 C CYS A 76 30.007 -15.368 18.549 1.00 63.22 C ATOM 1014 O CYS A 76 29.206 -14.926 17.725 1.00 23.22 O ATOM 1015 CB CYS A 76 28.867 -15.998 20.685 1.00 5.51 C ATOM 1016 SG CYS A 76 27.095 -16.420 20.698 1.00 25.05 S ATOM 0 H CYS A 76 31.181 -16.985 20.797 1.00 13.50 H new ATOM 0 HA CYS A 76 28.981 -17.208 18.912 1.00 23.44 H new ATOM 0 HB2 CYS A 76 29.331 -16.395 21.588 1.00 5.51 H new ATOM 0 HB3 CYS A 76 28.972 -14.914 20.723 1.00 5.51 H new ATOM 1021 N TRP A 77 31.234 -14.882 18.697 1.00 23.44 N ATOM 1022 CA TRP A 77 31.722 -13.776 17.882 1.00 50.31 C ATOM 1023 C TRP A 77 31.584 -14.092 16.397 1.00 55.42 C ATOM 1024 O TRP A 77 30.947 -13.347 15.651 1.00 24.33 O ATOM 1025 CB TRP A 77 33.183 -13.473 18.218 1.00 62.14 C ATOM 1026 CG TRP A 77 33.884 -12.678 17.158 1.00 72.13 C ATOM 1027 CD1 TRP A 77 35.154 -12.870 16.694 1.00 31.21 C ATOM 1028 CD2 TRP A 77 33.354 -11.564 16.431 1.00 13.02 C ATOM 1029 NE1 TRP A 77 35.445 -11.943 15.723 1.00 4.42 N ATOM 1030 CE2 TRP A 77 34.357 -11.130 15.543 1.00 63.42 C ATOM 1031 CE3 TRP A 77 32.129 -10.892 16.443 1.00 14.11 C ATOM 1032 CZ2 TRP A 77 34.171 -10.055 14.678 1.00 64.42 C ATOM 1033 CZ3 TRP A 77 31.946 -9.825 15.584 1.00 11.12 C ATOM 1034 CH2 TRP A 77 32.962 -9.416 14.711 1.00 42.43 C ATOM 0 H TRP A 77 31.909 -15.237 19.374 1.00 23.44 H new ATOM 0 HA TRP A 77 31.116 -12.898 18.105 1.00 50.31 H new ATOM 0 HB2 TRP A 77 33.226 -12.926 19.160 1.00 62.14 H new ATOM 0 HB3 TRP A 77 33.716 -14.412 18.370 1.00 62.14 H new ATOM 0 HD1 TRP A 77 35.830 -13.638 17.040 1.00 31.21 H new ATOM 0 HE1 TRP A 77 36.328 -11.871 15.218 1.00 4.42 H new ATOM 0 HE3 TRP A 77 31.339 -11.201 17.112 1.00 14.11 H new ATOM 0 HZ2 TRP A 77 34.953 -9.737 14.005 1.00 64.42 H new ATOM 0 HZ3 TRP A 77 31.004 -9.298 15.586 1.00 11.12 H new ATOM 0 HH2 TRP A 77 32.787 -8.579 14.051 1.00 42.43 H new ATOM 1045 N ALA A 78 32.183 -15.200 15.973 1.00 13.25 N ATOM 1046 CA ALA A 78 32.124 -15.615 14.577 1.00 13.44 C ATOM 1047 C ALA A 78 30.710 -16.032 14.188 1.00 34.00 C ATOM 1048 O ALA A 78 30.407 -16.207 13.008 1.00 32.43 O ATOM 1049 CB ALA A 78 33.101 -16.753 14.323 1.00 11.22 C ATOM 0 H ALA A 78 32.715 -15.827 16.577 1.00 13.25 H new ATOM 0 HA ALA A 78 32.407 -14.764 13.958 1.00 13.44 H new ATOM 0 HB1 ALA A 78 33.046 -17.053 13.276 1.00 11.22 H new ATOM 0 HB2 ALA A 78 34.114 -16.421 14.553 1.00 11.22 H new ATOM 0 HB3 ALA A 78 32.844 -17.601 14.957 1.00 11.22 H new ATOM 1055 N ALA A 79 29.848 -16.190 15.187 1.00 30.14 N ATOM 1056 CA ALA A 79 28.466 -16.586 14.949 1.00 55.32 C ATOM 1057 C ALA A 79 27.711 -15.507 14.179 1.00 70.33 C ATOM 1058 O ALA A 79 26.698 -15.785 13.536 1.00 42.44 O ATOM 1059 CB ALA A 79 27.766 -16.882 16.267 1.00 24.52 C ATOM 0 H ALA A 79 30.083 -16.050 16.170 1.00 30.14 H new ATOM 0 HA ALA A 79 28.474 -17.492 14.343 1.00 55.32 H new ATOM 0 HB1 ALA A 79 26.735 -17.176 16.073 1.00 24.52 H new ATOM 0 HB2 ALA A 79 28.284 -17.692 16.780 1.00 24.52 H new ATOM 0 HB3 ALA A 79 27.777 -15.990 16.893 1.00 24.52 H new ATOM 1065 N ILE A 80 28.210 -14.278 14.249 1.00 0.11 N ATOM 1066 CA ILE A 80 27.582 -13.159 13.558 1.00 45.52 C ATOM 1067 C ILE A 80 28.552 -12.503 12.581 1.00 41.53 C ATOM 1068 O ILE A 80 28.324 -11.383 12.123 1.00 21.11 O ATOM 1069 CB ILE A 80 27.075 -12.096 14.551 1.00 22.51 C ATOM 1070 CG1 ILE A 80 26.029 -11.201 13.884 1.00 61.11 C ATOM 1071 CG2 ILE A 80 28.236 -11.264 15.075 1.00 31.34 C ATOM 1072 CD1 ILE A 80 25.581 -10.045 14.751 1.00 24.42 C ATOM 0 H ILE A 80 29.047 -14.032 14.777 1.00 0.11 H new ATOM 0 HA ILE A 80 26.733 -13.565 13.008 1.00 45.52 H new ATOM 0 HB ILE A 80 26.607 -12.603 15.395 1.00 22.51 H new ATOM 0 HG12 ILE A 80 26.439 -10.809 12.953 1.00 61.11 H new ATOM 0 HG13 ILE A 80 25.161 -11.805 13.621 1.00 61.11 H new ATOM 0 HG21 ILE A 80 27.862 -10.517 15.775 1.00 31.34 H new ATOM 0 HG22 ILE A 80 28.949 -11.913 15.583 1.00 31.34 H new ATOM 0 HG23 ILE A 80 28.731 -10.764 14.242 1.00 31.34 H new ATOM 0 HD11 ILE A 80 24.839 -9.453 14.214 1.00 24.42 H new ATOM 0 HD12 ILE A 80 25.141 -10.429 15.671 1.00 24.42 H new ATOM 0 HD13 ILE A 80 26.439 -9.418 14.993 1.00 24.42 H new ATOM 1084 N GLN A 81 29.633 -13.208 12.265 1.00 61.24 N ATOM 1085 CA GLN A 81 30.637 -12.694 11.340 1.00 31.34 C ATOM 1086 C GLN A 81 30.036 -12.463 9.958 1.00 42.32 C ATOM 1087 O GLN A 81 30.034 -11.349 9.434 1.00 51.42 O ATOM 1088 CB GLN A 81 31.815 -13.666 11.242 1.00 55.44 C ATOM 1089 CG GLN A 81 33.142 -13.057 11.664 1.00 30.34 C ATOM 1090 CD GLN A 81 34.093 -14.082 12.251 1.00 51.10 C ATOM 1091 OE1 GLN A 81 34.191 -15.207 11.760 1.00 4.03 O ATOM 1092 NE2 GLN A 81 34.800 -13.697 13.307 1.00 31.42 N ATOM 0 H GLN A 81 29.836 -14.136 12.635 1.00 61.24 H new ATOM 0 HA GLN A 81 30.994 -11.739 11.724 1.00 31.34 H new ATOM 0 HB2 GLN A 81 31.610 -14.537 11.865 1.00 55.44 H new ATOM 0 HB3 GLN A 81 31.898 -14.021 10.215 1.00 55.44 H new ATOM 0 HG2 GLN A 81 33.611 -12.584 10.801 1.00 30.34 H new ATOM 0 HG3 GLN A 81 32.960 -12.273 12.399 1.00 30.34 H new ATOM 0 HE21 GLN A 81 34.687 -12.755 13.681 1.00 31.42 H new ATOM 0 HE22 GLN A 81 35.457 -14.344 13.744 1.00 31.42 H new ATOM 1101 N PRO A 82 29.514 -13.539 9.351 1.00 22.00 N ATOM 1102 CA PRO A 82 28.901 -13.478 8.021 1.00 34.21 C ATOM 1103 C PRO A 82 27.578 -12.719 8.027 1.00 44.41 C ATOM 1104 O PRO A 82 27.191 -12.120 7.024 1.00 54.25 O ATOM 1105 CB PRO A 82 28.670 -14.950 7.669 1.00 3.01 C ATOM 1106 CG PRO A 82 28.567 -15.642 8.984 1.00 22.41 C ATOM 1107 CD PRO A 82 29.482 -14.898 9.917 1.00 63.22 C ATOM 0 HA PRO A 82 29.530 -12.948 7.306 1.00 34.21 H new ATOM 0 HB2 PRO A 82 27.761 -15.079 7.082 1.00 3.01 H new ATOM 0 HB3 PRO A 82 29.492 -15.349 7.075 1.00 3.01 H new ATOM 0 HG2 PRO A 82 27.541 -15.630 9.352 1.00 22.41 H new ATOM 0 HG3 PRO A 82 28.863 -16.688 8.899 1.00 22.41 H new ATOM 0 HD2 PRO A 82 29.102 -14.899 10.939 1.00 63.22 H new ATOM 0 HD3 PRO A 82 30.476 -15.345 9.946 1.00 63.22 H new ATOM 1115 N PHE A 83 26.890 -12.747 9.163 1.00 2.23 N ATOM 1116 CA PHE A 83 25.610 -12.061 9.299 1.00 5.13 C ATOM 1117 C PHE A 83 25.816 -10.587 9.635 1.00 44.34 C ATOM 1118 O PHE A 83 24.904 -9.772 9.491 1.00 51.15 O ATOM 1119 CB PHE A 83 24.763 -12.729 10.384 1.00 54.31 C ATOM 1120 CG PHE A 83 23.398 -12.120 10.538 1.00 42.41 C ATOM 1121 CD1 PHE A 83 22.650 -11.774 9.425 1.00 52.45 C ATOM 1122 CD2 PHE A 83 22.865 -11.893 11.796 1.00 15.43 C ATOM 1123 CE1 PHE A 83 21.394 -11.213 9.563 1.00 73.33 C ATOM 1124 CE2 PHE A 83 21.609 -11.333 11.941 1.00 61.13 C ATOM 1125 CZ PHE A 83 20.873 -10.992 10.823 1.00 43.14 C ATOM 0 H PHE A 83 27.197 -13.237 10.003 1.00 2.23 H new ATOM 0 HA PHE A 83 25.087 -12.128 8.345 1.00 5.13 H new ATOM 0 HB2 PHE A 83 24.655 -13.788 10.149 1.00 54.31 H new ATOM 0 HB3 PHE A 83 25.290 -12.665 11.336 1.00 54.31 H new ATOM 0 HD1 PHE A 83 23.053 -11.944 8.437 1.00 52.45 H new ATOM 0 HD2 PHE A 83 23.437 -12.156 12.674 1.00 15.43 H new ATOM 0 HE1 PHE A 83 20.821 -10.948 8.687 1.00 73.33 H new ATOM 0 HE2 PHE A 83 21.204 -11.162 12.927 1.00 61.13 H new ATOM 0 HZ PHE A 83 19.892 -10.554 10.934 1.00 43.14 H new ATOM 1135 N LEU A 84 27.021 -10.251 10.083 1.00 31.02 N ATOM 1136 CA LEU A 84 27.348 -8.875 10.440 1.00 4.02 C ATOM 1137 C LEU A 84 27.031 -7.924 9.291 1.00 41.03 C ATOM 1138 O LEU A 84 26.826 -6.728 9.499 1.00 43.31 O ATOM 1139 CB LEU A 84 28.827 -8.763 10.817 1.00 52.04 C ATOM 1140 CG LEU A 84 29.138 -7.967 12.085 1.00 61.14 C ATOM 1141 CD1 LEU A 84 28.901 -6.483 11.855 1.00 40.43 C ATOM 1142 CD2 LEU A 84 28.297 -8.469 13.249 1.00 24.34 C ATOM 0 H LEU A 84 27.787 -10.912 10.208 1.00 31.02 H new ATOM 0 HA LEU A 84 26.738 -8.594 11.298 1.00 4.02 H new ATOM 0 HB2 LEU A 84 29.228 -9.769 10.936 1.00 52.04 H new ATOM 0 HB3 LEU A 84 29.360 -8.304 9.984 1.00 52.04 H new ATOM 0 HG LEU A 84 30.189 -8.112 12.333 1.00 61.14 H new ATOM 0 HD11 LEU A 84 29.127 -5.933 12.768 1.00 40.43 H new ATOM 0 HD12 LEU A 84 29.547 -6.132 11.050 1.00 40.43 H new ATOM 0 HD13 LEU A 84 27.859 -6.319 11.582 1.00 40.43 H new ATOM 0 HD21 LEU A 84 28.531 -7.891 14.143 1.00 24.34 H new ATOM 0 HD22 LEU A 84 27.240 -8.355 13.010 1.00 24.34 H new ATOM 0 HD23 LEU A 84 28.516 -9.521 13.429 1.00 24.34 H new ATOM 1154 N CYS A 85 26.990 -8.464 8.077 1.00 12.22 N ATOM 1155 CA CYS A 85 26.696 -7.665 6.894 1.00 55.22 C ATOM 1156 C CYS A 85 25.219 -7.768 6.521 1.00 65.52 C ATOM 1157 O CYS A 85 24.608 -6.792 6.088 1.00 62.23 O ATOM 1158 CB CYS A 85 27.563 -8.118 5.718 1.00 21.20 C ATOM 1159 SG CYS A 85 29.162 -8.839 6.209 1.00 65.34 S ATOM 0 H CYS A 85 27.157 -9.452 7.887 1.00 12.22 H new ATOM 0 HA CYS A 85 26.923 -6.624 7.124 1.00 55.22 H new ATOM 0 HB2 CYS A 85 27.009 -8.853 5.134 1.00 21.20 H new ATOM 0 HB3 CYS A 85 27.746 -7.264 5.065 1.00 21.20 H new ATOM 1164 N ALA A 86 24.654 -8.959 6.692 1.00 13.34 N ATOM 1165 CA ALA A 86 23.250 -9.190 6.376 1.00 13.24 C ATOM 1166 C ALA A 86 22.352 -8.794 7.544 1.00 72.13 C ATOM 1167 O ALA A 86 21.140 -9.007 7.508 1.00 52.44 O ATOM 1168 CB ALA A 86 23.025 -10.648 6.006 1.00 22.52 C ATOM 0 H ALA A 86 25.147 -9.778 7.047 1.00 13.34 H new ATOM 0 HA ALA A 86 22.988 -8.565 5.522 1.00 13.24 H new ATOM 0 HB1 ALA A 86 21.972 -10.806 5.773 1.00 22.52 H new ATOM 0 HB2 ALA A 86 23.631 -10.900 5.136 1.00 22.52 H new ATOM 0 HB3 ALA A 86 23.310 -11.284 6.844 1.00 22.52 H new ATOM 1174 N VAL A 87 22.955 -8.218 8.579 1.00 35.01 N ATOM 1175 CA VAL A 87 22.209 -7.792 9.758 1.00 61.24 C ATOM 1176 C VAL A 87 22.118 -6.272 9.830 1.00 34.23 C ATOM 1177 O VAL A 87 21.099 -5.720 10.248 1.00 45.01 O ATOM 1178 CB VAL A 87 22.857 -8.319 11.052 1.00 73.11 C ATOM 1179 CG1 VAL A 87 24.220 -7.679 11.266 1.00 31.20 C ATOM 1180 CG2 VAL A 87 21.946 -8.066 12.244 1.00 3.40 C ATOM 0 H VAL A 87 23.957 -8.036 8.625 1.00 35.01 H new ATOM 0 HA VAL A 87 21.206 -8.209 9.667 1.00 61.24 H new ATOM 0 HB VAL A 87 23.000 -9.395 10.955 1.00 73.11 H new ATOM 0 HG11 VAL A 87 24.662 -8.064 12.185 1.00 31.20 H new ATOM 0 HG12 VAL A 87 24.870 -7.916 10.424 1.00 31.20 H new ATOM 0 HG13 VAL A 87 24.106 -6.598 11.343 1.00 31.20 H new ATOM 0 HG21 VAL A 87 22.419 -8.444 13.150 1.00 3.40 H new ATOM 0 HG22 VAL A 87 21.770 -6.995 12.347 1.00 3.40 H new ATOM 0 HG23 VAL A 87 20.995 -8.577 12.090 1.00 3.40 H new ATOM 1190 N PHE A 88 23.188 -5.600 9.421 1.00 64.23 N ATOM 1191 CA PHE A 88 23.230 -4.143 9.440 1.00 52.33 C ATOM 1192 C PHE A 88 23.239 -3.580 8.021 1.00 34.32 C ATOM 1193 O PHE A 88 22.682 -2.513 7.760 1.00 23.41 O ATOM 1194 CB PHE A 88 24.465 -3.656 10.201 1.00 73.21 C ATOM 1195 CG PHE A 88 24.636 -4.307 11.544 1.00 61.04 C ATOM 1196 CD1 PHE A 88 23.575 -4.383 12.432 1.00 44.21 C ATOM 1197 CD2 PHE A 88 25.858 -4.844 11.917 1.00 14.44 C ATOM 1198 CE1 PHE A 88 23.731 -4.980 13.668 1.00 32.44 C ATOM 1199 CE2 PHE A 88 26.019 -5.443 13.152 1.00 11.14 C ATOM 1200 CZ PHE A 88 24.954 -5.512 14.029 1.00 74.24 C ATOM 0 H PHE A 88 24.039 -6.042 9.072 1.00 64.23 H new ATOM 0 HA PHE A 88 22.334 -3.786 9.948 1.00 52.33 H new ATOM 0 HB2 PHE A 88 25.353 -3.847 9.598 1.00 73.21 H new ATOM 0 HB3 PHE A 88 24.397 -2.576 10.335 1.00 73.21 H new ATOM 0 HD1 PHE A 88 22.616 -3.971 12.155 1.00 44.21 H new ATOM 0 HD2 PHE A 88 26.694 -4.794 11.235 1.00 14.44 H new ATOM 0 HE1 PHE A 88 22.897 -5.031 14.352 1.00 32.44 H new ATOM 0 HE2 PHE A 88 26.977 -5.857 13.431 1.00 11.14 H new ATOM 0 HZ PHE A 88 25.077 -5.981 14.994 1.00 74.24 H new ATOM 1210 N LYS A 89 23.875 -4.306 7.108 1.00 52.33 N ATOM 1211 CA LYS A 89 23.957 -3.882 5.715 1.00 41.11 C ATOM 1212 C LYS A 89 23.168 -4.825 4.812 1.00 50.51 C ATOM 1213 O LYS A 89 23.732 -5.634 4.076 1.00 73.35 O ATOM 1214 CB LYS A 89 25.418 -3.829 5.262 1.00 11.41 C ATOM 1215 CG LYS A 89 26.267 -2.854 6.059 1.00 13.45 C ATOM 1216 CD LYS A 89 26.930 -3.533 7.246 1.00 12.31 C ATOM 1217 CE LYS A 89 27.275 -2.533 8.339 1.00 10.11 C ATOM 1218 NZ LYS A 89 28.689 -2.076 8.246 1.00 42.40 N ATOM 0 H LYS A 89 24.341 -5.191 7.308 1.00 52.33 H new ATOM 0 HA LYS A 89 23.522 -2.885 5.638 1.00 41.11 H new ATOM 0 HB2 LYS A 89 25.851 -4.826 5.344 1.00 11.41 H new ATOM 0 HB3 LYS A 89 25.453 -3.551 4.209 1.00 11.41 H new ATOM 0 HG2 LYS A 89 27.031 -2.422 5.412 1.00 13.45 H new ATOM 0 HG3 LYS A 89 25.645 -2.031 6.410 1.00 13.45 H new ATOM 0 HD2 LYS A 89 26.265 -4.297 7.648 1.00 12.31 H new ATOM 0 HD3 LYS A 89 27.837 -4.041 6.916 1.00 12.31 H new ATOM 0 HE2 LYS A 89 26.610 -1.673 8.267 1.00 10.11 H new ATOM 0 HE3 LYS A 89 27.104 -2.988 9.315 1.00 10.11 H new ATOM 0 HZ1 LYS A 89 28.885 -1.396 9.008 1.00 42.40 H new ATOM 0 HZ2 LYS A 89 29.325 -2.894 8.340 1.00 42.40 H new ATOM 0 HZ3 LYS A 89 28.846 -1.619 7.325 1.00 42.40 H new ATOM 1232 N PRO A 90 21.832 -4.718 4.867 1.00 40.11 N ATOM 1233 CA PRO A 90 20.937 -5.552 4.059 1.00 44.33 C ATOM 1234 C PRO A 90 21.002 -5.203 2.576 1.00 42.13 C ATOM 1235 O PRO A 90 20.871 -4.040 2.194 1.00 12.34 O ATOM 1236 CB PRO A 90 19.550 -5.234 4.623 1.00 43.23 C ATOM 1237 CG PRO A 90 19.682 -3.870 5.207 1.00 45.31 C ATOM 1238 CD PRO A 90 21.092 -3.775 5.722 1.00 40.40 C ATOM 0 HA PRO A 90 21.203 -6.608 4.115 1.00 44.33 H new ATOM 0 HB2 PRO A 90 18.790 -5.258 3.842 1.00 43.23 H new ATOM 0 HB3 PRO A 90 19.254 -5.961 5.379 1.00 43.23 H new ATOM 0 HG2 PRO A 90 19.488 -3.104 4.456 1.00 45.31 H new ATOM 0 HG3 PRO A 90 18.962 -3.718 6.011 1.00 45.31 H new ATOM 0 HD2 PRO A 90 21.484 -2.762 5.635 1.00 40.40 H new ATOM 0 HD3 PRO A 90 21.155 -4.052 6.774 1.00 40.40 H new ATOM 1246 N LYS A 91 21.205 -6.218 1.742 1.00 0.33 N ATOM 1247 CA LYS A 91 21.286 -6.020 0.300 1.00 14.40 C ATOM 1248 C LYS A 91 20.035 -5.320 -0.224 1.00 5.13 C ATOM 1249 O LYS A 91 18.997 -5.950 -0.426 1.00 63.50 O ATOM 1250 CB LYS A 91 21.467 -7.363 -0.411 1.00 13.33 C ATOM 1251 CG LYS A 91 21.609 -7.239 -1.918 1.00 20.12 C ATOM 1252 CD LYS A 91 22.251 -8.477 -2.521 1.00 30.32 C ATOM 1253 CE LYS A 91 21.727 -8.750 -3.922 1.00 61.44 C ATOM 1254 NZ LYS A 91 22.266 -10.023 -4.478 1.00 1.51 N ATOM 0 H LYS A 91 21.316 -7.187 2.041 1.00 0.33 H new ATOM 0 HA LYS A 91 22.149 -5.387 0.093 1.00 14.40 H new ATOM 0 HB2 LYS A 91 22.351 -7.860 -0.011 1.00 13.33 H new ATOM 0 HB3 LYS A 91 20.613 -8.002 -0.186 1.00 13.33 H new ATOM 0 HG2 LYS A 91 20.627 -7.083 -2.365 1.00 20.12 H new ATOM 0 HG3 LYS A 91 22.211 -6.363 -2.157 1.00 20.12 H new ATOM 0 HD2 LYS A 91 23.333 -8.347 -2.555 1.00 30.32 H new ATOM 0 HD3 LYS A 91 22.053 -9.338 -1.883 1.00 30.32 H new ATOM 0 HE2 LYS A 91 20.638 -8.796 -3.900 1.00 61.44 H new ATOM 0 HE3 LYS A 91 21.998 -7.923 -4.579 1.00 61.44 H new ATOM 0 HZ1 LYS A 91 21.885 -10.173 -5.434 1.00 1.51 H new ATOM 0 HZ2 LYS A 91 23.304 -9.970 -4.523 1.00 1.51 H new ATOM 0 HZ3 LYS A 91 21.986 -10.815 -3.866 1.00 1.51 H new ATOM 1268 N CYS A 92 20.142 -4.014 -0.443 1.00 10.42 N ATOM 1269 CA CYS A 92 19.021 -3.228 -0.944 1.00 50.21 C ATOM 1270 C CYS A 92 19.193 -2.921 -2.429 1.00 73.00 C ATOM 1271 O CYS A 92 20.072 -2.152 -2.816 1.00 21.21 O ATOM 1272 CB CYS A 92 18.891 -1.924 -0.154 1.00 44.13 C ATOM 1273 SG CYS A 92 17.562 -0.827 -0.743 1.00 54.13 S ATOM 0 H CYS A 92 20.994 -3.477 -0.281 1.00 10.42 H new ATOM 0 HA CYS A 92 18.112 -3.815 -0.815 1.00 50.21 H new ATOM 0 HB2 CYS A 92 18.712 -2.163 0.894 1.00 44.13 H new ATOM 0 HB3 CYS A 92 19.838 -1.387 -0.201 1.00 44.13 H new ATOM 1278 N GLU A 93 18.346 -3.528 -3.255 1.00 11.21 N ATOM 1279 CA GLU A 93 18.405 -3.320 -4.697 1.00 11.51 C ATOM 1280 C GLU A 93 17.031 -2.952 -5.250 1.00 41.21 C ATOM 1281 O GLU A 93 16.025 -3.025 -4.545 1.00 12.35 O ATOM 1282 CB GLU A 93 18.928 -4.576 -5.395 1.00 62.51 C ATOM 1283 CG GLU A 93 18.108 -5.822 -5.102 1.00 41.42 C ATOM 1284 CD GLU A 93 18.130 -6.817 -6.246 1.00 23.23 C ATOM 1285 OE1 GLU A 93 19.041 -7.672 -6.270 1.00 11.32 O ATOM 1286 OE2 GLU A 93 17.238 -6.742 -7.116 1.00 22.00 O ATOM 0 H GLU A 93 17.612 -4.167 -2.950 1.00 11.21 H new ATOM 0 HA GLU A 93 19.089 -2.494 -4.891 1.00 11.51 H new ATOM 0 HB2 GLU A 93 18.941 -4.405 -6.471 1.00 62.51 H new ATOM 0 HB3 GLU A 93 19.959 -4.749 -5.088 1.00 62.51 H new ATOM 0 HG2 GLU A 93 18.491 -6.301 -4.201 1.00 41.42 H new ATOM 0 HG3 GLU A 93 17.077 -5.534 -4.896 1.00 41.42 H new ATOM 1293 N LYS A 94 16.997 -2.556 -6.518 1.00 1.51 N ATOM 1294 CA LYS A 94 15.748 -2.176 -7.168 1.00 65.44 C ATOM 1295 C LYS A 94 15.280 -3.268 -8.125 1.00 31.32 C ATOM 1296 O LYS A 94 15.890 -3.494 -9.170 1.00 63.41 O ATOM 1297 CB LYS A 94 15.924 -0.859 -7.928 1.00 24.52 C ATOM 1298 CG LYS A 94 15.207 0.314 -7.284 1.00 50.41 C ATOM 1299 CD LYS A 94 15.267 1.554 -8.161 1.00 64.21 C ATOM 1300 CE LYS A 94 16.703 1.989 -8.412 1.00 51.42 C ATOM 1301 NZ LYS A 94 16.829 3.472 -8.476 1.00 64.25 N ATOM 0 H LYS A 94 17.821 -2.490 -7.116 1.00 1.51 H new ATOM 0 HA LYS A 94 14.991 -2.044 -6.395 1.00 65.44 H new ATOM 0 HB2 LYS A 94 16.987 -0.630 -7.999 1.00 24.52 H new ATOM 0 HB3 LYS A 94 15.556 -0.985 -8.946 1.00 24.52 H new ATOM 0 HG2 LYS A 94 14.166 0.048 -7.099 1.00 50.41 H new ATOM 0 HG3 LYS A 94 15.658 0.530 -6.315 1.00 50.41 H new ATOM 0 HD2 LYS A 94 14.775 1.352 -9.113 1.00 64.21 H new ATOM 0 HD3 LYS A 94 14.718 2.366 -7.684 1.00 64.21 H new ATOM 0 HE2 LYS A 94 17.343 1.604 -7.619 1.00 51.42 H new ATOM 0 HE3 LYS A 94 17.057 1.554 -9.347 1.00 51.42 H new ATOM 0 HZ1 LYS A 94 17.822 3.729 -8.648 1.00 64.25 H new ATOM 0 HZ2 LYS A 94 16.238 3.838 -9.249 1.00 64.25 H new ATOM 0 HZ3 LYS A 94 16.516 3.886 -7.575 1.00 64.25 H new ATOM 1315 N ILE A 95 14.193 -3.941 -7.761 1.00 41.31 N ATOM 1316 CA ILE A 95 13.642 -5.007 -8.589 1.00 2.52 C ATOM 1317 C ILE A 95 12.562 -4.474 -9.524 1.00 50.30 C ATOM 1318 O ILE A 95 11.497 -4.047 -9.079 1.00 44.25 O ATOM 1319 CB ILE A 95 13.048 -6.138 -7.728 1.00 43.54 C ATOM 1320 CG1 ILE A 95 14.166 -6.935 -7.053 1.00 41.22 C ATOM 1321 CG2 ILE A 95 12.179 -7.051 -8.580 1.00 43.54 C ATOM 1322 CD1 ILE A 95 14.595 -6.364 -5.720 1.00 33.05 C ATOM 0 H ILE A 95 13.677 -3.767 -6.899 1.00 41.31 H new ATOM 0 HA ILE A 95 14.466 -5.406 -9.180 1.00 2.52 H new ATOM 0 HB ILE A 95 12.424 -5.695 -6.952 1.00 43.54 H new ATOM 0 HG12 ILE A 95 13.832 -7.963 -6.908 1.00 41.22 H new ATOM 0 HG13 ILE A 95 15.029 -6.971 -7.718 1.00 41.22 H new ATOM 0 HG21 ILE A 95 11.766 -7.845 -7.958 1.00 43.54 H new ATOM 0 HG22 ILE A 95 11.365 -6.474 -9.018 1.00 43.54 H new ATOM 0 HG23 ILE A 95 12.782 -7.489 -9.375 1.00 43.54 H new ATOM 0 HD11 ILE A 95 15.390 -6.980 -5.299 1.00 33.05 H new ATOM 0 HD12 ILE A 95 14.960 -5.346 -5.860 1.00 33.05 H new ATOM 0 HD13 ILE A 95 13.745 -6.354 -5.038 1.00 33.05 H new ATOM 1334 N ASN A 96 12.844 -4.504 -10.823 1.00 12.15 N ATOM 1335 CA ASN A 96 11.895 -4.025 -11.822 1.00 4.03 C ATOM 1336 C ASN A 96 11.632 -2.532 -11.650 1.00 43.04 C ATOM 1337 O ASN A 96 10.599 -2.020 -12.078 1.00 73.02 O ATOM 1338 CB ASN A 96 10.581 -4.801 -11.720 1.00 53.14 C ATOM 1339 CG ASN A 96 9.750 -4.698 -12.985 1.00 14.13 C ATOM 1340 OD1 ASN A 96 10.021 -5.375 -13.976 1.00 62.13 O ATOM 1341 ND2 ASN A 96 8.730 -3.847 -12.955 1.00 25.01 N ATOM 0 H ASN A 96 13.721 -4.855 -11.208 1.00 12.15 H new ATOM 0 HA ASN A 96 12.330 -4.188 -12.808 1.00 4.03 H new ATOM 0 HB2 ASN A 96 10.796 -5.850 -11.514 1.00 53.14 H new ATOM 0 HB3 ASN A 96 10.003 -4.423 -10.877 1.00 53.14 H new ATOM 0 HD21 ASN A 96 8.135 -3.735 -13.776 1.00 25.01 H new ATOM 0 HD22 ASN A 96 8.542 -3.306 -12.111 1.00 25.01 H new ATOM 1348 N GLY A 97 12.576 -1.838 -11.021 1.00 64.35 N ATOM 1349 CA GLY A 97 12.428 -0.411 -10.805 1.00 23.00 C ATOM 1350 C GLY A 97 11.774 -0.091 -9.475 1.00 64.14 C ATOM 1351 O GLY A 97 11.277 1.016 -9.272 1.00 61.12 O ATOM 0 H GLY A 97 13.440 -2.239 -10.657 1.00 64.35 H new ATOM 0 HA2 GLY A 97 13.408 0.064 -10.848 1.00 23.00 H new ATOM 0 HA3 GLY A 97 11.832 0.016 -11.612 1.00 23.00 H new ATOM 1355 N GLU A 98 11.774 -1.063 -8.569 1.00 34.32 N ATOM 1356 CA GLU A 98 11.173 -0.879 -7.253 1.00 20.31 C ATOM 1357 C GLU A 98 12.202 -1.104 -6.149 1.00 2.02 C ATOM 1358 O GLU A 98 12.744 -2.200 -6.004 1.00 50.02 O ATOM 1359 CB GLU A 98 9.993 -1.836 -7.068 1.00 3.11 C ATOM 1360 CG GLU A 98 8.923 -1.697 -8.138 1.00 24.02 C ATOM 1361 CD GLU A 98 7.833 -2.743 -8.012 1.00 31.14 C ATOM 1362 OE1 GLU A 98 6.876 -2.513 -7.244 1.00 35.34 O ATOM 1363 OE2 GLU A 98 7.937 -3.792 -8.682 1.00 3.22 O ATOM 0 H GLU A 98 12.183 -1.985 -8.721 1.00 34.32 H new ATOM 0 HA GLU A 98 10.813 0.148 -7.187 1.00 20.31 H new ATOM 0 HB2 GLU A 98 10.364 -2.861 -7.068 1.00 3.11 H new ATOM 0 HB3 GLU A 98 9.543 -1.660 -6.091 1.00 3.11 H new ATOM 0 HG2 GLU A 98 8.478 -0.704 -8.074 1.00 24.02 H new ATOM 0 HG3 GLU A 98 9.386 -1.776 -9.122 1.00 24.02 H new ATOM 1370 N ASP A 99 12.467 -0.058 -5.373 1.00 73.43 N ATOM 1371 CA ASP A 99 13.430 -0.140 -4.282 1.00 22.43 C ATOM 1372 C ASP A 99 12.996 -1.177 -3.250 1.00 14.30 C ATOM 1373 O ASP A 99 12.087 -0.934 -2.457 1.00 14.41 O ATOM 1374 CB ASP A 99 13.593 1.226 -3.613 1.00 64.43 C ATOM 1375 CG ASP A 99 12.266 1.924 -3.391 1.00 21.51 C ATOM 1376 OD1 ASP A 99 11.599 1.622 -2.379 1.00 72.41 O ATOM 1377 OD2 ASP A 99 11.895 2.772 -4.228 1.00 51.30 O ATOM 0 H ASP A 99 12.028 0.856 -5.480 1.00 73.43 H new ATOM 0 HA ASP A 99 14.389 -0.448 -4.699 1.00 22.43 H new ATOM 0 HB2 ASP A 99 14.099 1.100 -2.656 1.00 64.43 H new ATOM 0 HB3 ASP A 99 14.233 1.856 -4.231 1.00 64.43 H new ATOM 1382 N MET A 100 13.651 -2.333 -3.268 1.00 12.22 N ATOM 1383 CA MET A 100 13.332 -3.406 -2.333 1.00 73.04 C ATOM 1384 C MET A 100 14.518 -3.704 -1.422 1.00 10.11 C ATOM 1385 O MET A 100 15.619 -3.197 -1.634 1.00 44.32 O ATOM 1386 CB MET A 100 12.928 -4.670 -3.094 1.00 61.43 C ATOM 1387 CG MET A 100 11.711 -4.481 -3.984 1.00 74.45 C ATOM 1388 SD MET A 100 10.367 -5.611 -3.572 1.00 53.43 S ATOM 1389 CE MET A 100 10.859 -7.070 -4.486 1.00 71.40 C ATOM 0 H MET A 100 14.405 -2.551 -3.919 1.00 12.22 H new ATOM 0 HA MET A 100 12.496 -3.079 -1.715 1.00 73.04 H new ATOM 0 HB2 MET A 100 13.768 -5.000 -3.706 1.00 61.43 H new ATOM 0 HB3 MET A 100 12.724 -5.466 -2.378 1.00 61.43 H new ATOM 0 HG2 MET A 100 11.357 -3.454 -3.896 1.00 74.45 H new ATOM 0 HG3 MET A 100 12.000 -4.630 -5.024 1.00 74.45 H new ATOM 0 HE1 MET A 100 10.329 -7.939 -4.096 1.00 71.40 H new ATOM 0 HE2 MET A 100 10.615 -6.939 -5.540 1.00 71.40 H new ATOM 0 HE3 MET A 100 11.933 -7.222 -4.379 1.00 71.40 H new ATOM 1399 N VAL A 101 14.286 -4.529 -0.406 1.00 74.32 N ATOM 1400 CA VAL A 101 15.335 -4.895 0.537 1.00 24.22 C ATOM 1401 C VAL A 101 15.402 -6.406 0.727 1.00 72.44 C ATOM 1402 O VAL A 101 14.394 -7.103 0.604 1.00 51.13 O ATOM 1403 CB VAL A 101 15.117 -4.226 1.907 1.00 31.23 C ATOM 1404 CG1 VAL A 101 15.112 -2.712 1.767 1.00 11.44 C ATOM 1405 CG2 VAL A 101 13.822 -4.716 2.538 1.00 2.23 C ATOM 0 H VAL A 101 13.380 -4.957 -0.215 1.00 74.32 H new ATOM 0 HA VAL A 101 16.276 -4.543 0.114 1.00 24.22 H new ATOM 0 HB VAL A 101 15.942 -4.503 2.563 1.00 31.23 H new ATOM 0 HG11 VAL A 101 14.957 -2.257 2.745 1.00 11.44 H new ATOM 0 HG12 VAL A 101 16.068 -2.381 1.360 1.00 11.44 H new ATOM 0 HG13 VAL A 101 14.308 -2.411 1.095 1.00 11.44 H new ATOM 0 HG21 VAL A 101 13.683 -4.233 3.505 1.00 2.23 H new ATOM 0 HG22 VAL A 101 12.984 -4.470 1.886 1.00 2.23 H new ATOM 0 HG23 VAL A 101 13.870 -5.796 2.675 1.00 2.23 H new ATOM 1415 N TYR A 102 16.595 -6.907 1.027 1.00 72.41 N ATOM 1416 CA TYR A 102 16.794 -8.337 1.232 1.00 73.33 C ATOM 1417 C TYR A 102 17.036 -8.648 2.706 1.00 53.03 C ATOM 1418 O TYR A 102 17.824 -7.977 3.373 1.00 40.31 O ATOM 1419 CB TYR A 102 17.973 -8.835 0.394 1.00 51.40 C ATOM 1420 CG TYR A 102 17.596 -9.201 -1.024 1.00 24.43 C ATOM 1421 CD1 TYR A 102 16.731 -10.257 -1.283 1.00 0.11 C ATOM 1422 CD2 TYR A 102 18.106 -8.491 -2.104 1.00 73.42 C ATOM 1423 CE1 TYR A 102 16.385 -10.596 -2.577 1.00 1.24 C ATOM 1424 CE2 TYR A 102 17.764 -8.822 -3.401 1.00 61.33 C ATOM 1425 CZ TYR A 102 16.904 -9.876 -3.632 1.00 51.53 C ATOM 1426 OH TYR A 102 16.561 -10.209 -4.922 1.00 73.15 O ATOM 0 H TYR A 102 17.439 -6.344 1.134 1.00 72.41 H new ATOM 0 HA TYR A 102 15.888 -8.853 0.915 1.00 73.33 H new ATOM 0 HB2 TYR A 102 18.742 -8.063 0.369 1.00 51.40 H new ATOM 0 HB3 TYR A 102 18.412 -9.706 0.881 1.00 51.40 H new ATOM 0 HD1 TYR A 102 16.322 -10.823 -0.459 1.00 0.11 H new ATOM 0 HD2 TYR A 102 18.781 -7.667 -1.927 1.00 73.42 H new ATOM 0 HE1 TYR A 102 15.712 -11.420 -2.761 1.00 1.24 H new ATOM 0 HE2 TYR A 102 18.168 -8.259 -4.230 1.00 61.33 H new ATOM 0 HH TYR A 102 17.011 -9.603 -5.547 1.00 73.15 H new ATOM 1436 N LEU A 103 16.352 -9.671 3.208 1.00 44.44 N ATOM 1437 CA LEU A 103 16.492 -10.073 4.603 1.00 62.01 C ATOM 1438 C LEU A 103 17.217 -11.411 4.714 1.00 40.51 C ATOM 1439 O LEU A 103 17.274 -12.194 3.766 1.00 34.42 O ATOM 1440 CB LEU A 103 15.117 -10.168 5.267 1.00 64.42 C ATOM 1441 CG LEU A 103 14.460 -8.840 5.644 1.00 64.13 C ATOM 1442 CD1 LEU A 103 13.752 -8.235 4.442 1.00 73.11 C ATOM 1443 CD2 LEU A 103 13.487 -9.035 6.797 1.00 51.20 C ATOM 0 H LEU A 103 15.695 -10.237 2.670 1.00 44.44 H new ATOM 0 HA LEU A 103 17.085 -9.316 5.116 1.00 62.01 H new ATOM 0 HB2 LEU A 103 14.447 -10.704 4.594 1.00 64.42 H new ATOM 0 HB3 LEU A 103 15.212 -10.772 6.169 1.00 64.42 H new ATOM 0 HG LEU A 103 15.239 -8.149 5.966 1.00 64.13 H new ATOM 0 HD11 LEU A 103 13.290 -7.290 4.729 1.00 73.11 H new ATOM 0 HD12 LEU A 103 14.474 -8.058 3.645 1.00 73.11 H new ATOM 0 HD13 LEU A 103 12.983 -8.922 4.089 1.00 73.11 H new ATOM 0 HD21 LEU A 103 13.029 -8.079 7.052 1.00 51.20 H new ATOM 0 HD22 LEU A 103 12.712 -9.742 6.503 1.00 51.20 H new ATOM 0 HD23 LEU A 103 14.023 -9.423 7.663 1.00 51.20 H new ATOM 1455 N PRO A 104 17.783 -11.680 5.899 1.00 25.24 N ATOM 1456 CA PRO A 104 18.513 -12.924 6.164 1.00 75.33 C ATOM 1457 C PRO A 104 17.589 -14.137 6.218 1.00 4.35 C ATOM 1458 O PRO A 104 16.499 -14.073 6.786 1.00 73.24 O ATOM 1459 CB PRO A 104 19.152 -12.677 7.532 1.00 0.22 C ATOM 1460 CG PRO A 104 18.274 -11.664 8.183 1.00 63.11 C ATOM 1461 CD PRO A 104 17.755 -10.792 7.073 1.00 4.24 C ATOM 0 HA PRO A 104 19.233 -13.150 5.378 1.00 75.33 H new ATOM 0 HB2 PRO A 104 19.200 -13.595 8.118 1.00 0.22 H new ATOM 0 HB3 PRO A 104 20.173 -12.310 7.431 1.00 0.22 H new ATOM 0 HG2 PRO A 104 17.455 -12.144 8.718 1.00 63.11 H new ATOM 0 HG3 PRO A 104 18.831 -11.077 8.913 1.00 63.11 H new ATOM 0 HD2 PRO A 104 16.747 -10.434 7.282 1.00 4.24 H new ATOM 0 HD3 PRO A 104 18.382 -9.913 6.926 1.00 4.24 H new ATOM 1469 N SER A 105 18.034 -15.240 5.626 1.00 72.40 N ATOM 1470 CA SER A 105 17.246 -16.467 5.605 1.00 75.03 C ATOM 1471 C SER A 105 17.651 -17.393 6.748 1.00 55.14 C ATOM 1472 O SER A 105 18.516 -17.057 7.557 1.00 72.13 O ATOM 1473 CB SER A 105 17.418 -17.186 4.265 1.00 11.13 C ATOM 1474 OG SER A 105 16.621 -16.587 3.259 1.00 55.14 O ATOM 0 H SER A 105 18.936 -15.310 5.154 1.00 72.40 H new ATOM 0 HA SER A 105 16.197 -16.198 5.733 1.00 75.03 H new ATOM 0 HB2 SER A 105 18.466 -17.160 3.967 1.00 11.13 H new ATOM 0 HB3 SER A 105 17.144 -18.235 4.374 1.00 11.13 H new ATOM 0 HG SER A 105 15.690 -16.545 3.561 1.00 55.14 H new ATOM 1480 N TYR A 106 17.019 -18.560 6.807 1.00 13.22 N ATOM 1481 CA TYR A 106 17.310 -19.534 7.852 1.00 63.43 C ATOM 1482 C TYR A 106 18.806 -19.825 7.924 1.00 43.24 C ATOM 1483 O TYR A 106 19.331 -20.178 8.979 1.00 15.24 O ATOM 1484 CB TYR A 106 16.539 -20.831 7.598 1.00 24.03 C ATOM 1485 CG TYR A 106 17.159 -21.705 6.531 1.00 12.02 C ATOM 1486 CD1 TYR A 106 17.328 -21.236 5.234 1.00 62.50 C ATOM 1487 CD2 TYR A 106 17.574 -22.999 6.819 1.00 34.25 C ATOM 1488 CE1 TYR A 106 17.893 -22.032 4.255 1.00 10.54 C ATOM 1489 CE2 TYR A 106 18.141 -23.801 5.848 1.00 53.32 C ATOM 1490 CZ TYR A 106 18.298 -23.313 4.567 1.00 0.44 C ATOM 1491 OH TYR A 106 18.861 -24.108 3.596 1.00 22.42 O ATOM 0 H TYR A 106 16.302 -18.854 6.144 1.00 13.22 H new ATOM 0 HA TYR A 106 16.994 -19.111 8.806 1.00 63.43 H new ATOM 0 HB2 TYR A 106 16.478 -21.396 8.528 1.00 24.03 H new ATOM 0 HB3 TYR A 106 15.518 -20.586 7.307 1.00 24.03 H new ATOM 0 HD1 TYR A 106 17.013 -20.233 4.987 1.00 62.50 H new ATOM 0 HD2 TYR A 106 17.451 -23.385 7.820 1.00 34.25 H new ATOM 0 HE1 TYR A 106 18.017 -21.653 3.251 1.00 10.54 H new ATOM 0 HE2 TYR A 106 18.460 -24.804 6.090 1.00 53.32 H new ATOM 0 HH TYR A 106 19.092 -24.980 3.980 1.00 22.42 H new ATOM 1501 N GLU A 107 19.487 -19.672 6.792 1.00 61.50 N ATOM 1502 CA GLU A 107 20.923 -19.918 6.726 1.00 31.41 C ATOM 1503 C GLU A 107 21.682 -18.957 7.636 1.00 31.14 C ATOM 1504 O GLU A 107 22.439 -19.380 8.509 1.00 5.01 O ATOM 1505 CB GLU A 107 21.422 -19.776 5.287 1.00 53.04 C ATOM 1506 CG GLU A 107 22.541 -20.741 4.932 1.00 52.40 C ATOM 1507 CD GLU A 107 23.763 -20.037 4.374 1.00 55.12 C ATOM 1508 OE1 GLU A 107 23.660 -19.455 3.273 1.00 1.15 O ATOM 1509 OE2 GLU A 107 24.820 -20.068 5.036 1.00 24.13 O ATOM 0 H GLU A 107 19.068 -19.379 5.909 1.00 61.50 H new ATOM 0 HA GLU A 107 21.107 -20.937 7.068 1.00 31.41 H new ATOM 0 HB2 GLU A 107 20.587 -19.935 4.605 1.00 53.04 H new ATOM 0 HB3 GLU A 107 21.771 -18.755 5.132 1.00 53.04 H new ATOM 0 HG2 GLU A 107 22.825 -21.305 5.821 1.00 52.40 H new ATOM 0 HG3 GLU A 107 22.176 -21.462 4.200 1.00 52.40 H new ATOM 1516 N MET A 108 21.473 -17.662 7.425 1.00 13.20 N ATOM 1517 CA MET A 108 22.136 -16.640 8.227 1.00 63.24 C ATOM 1518 C MET A 108 21.828 -16.827 9.709 1.00 65.12 C ATOM 1519 O MET A 108 22.717 -16.729 10.555 1.00 5.42 O ATOM 1520 CB MET A 108 21.701 -15.245 7.775 1.00 12.22 C ATOM 1521 CG MET A 108 22.749 -14.519 6.948 1.00 61.04 C ATOM 1522 SD MET A 108 22.467 -14.679 5.174 1.00 73.10 S ATOM 1523 CE MET A 108 23.581 -13.428 4.540 1.00 74.15 C ATOM 0 H MET A 108 20.850 -17.295 6.706 1.00 13.20 H new ATOM 0 HA MET A 108 23.212 -16.741 8.083 1.00 63.24 H new ATOM 0 HB2 MET A 108 20.785 -15.331 7.191 1.00 12.22 H new ATOM 0 HB3 MET A 108 21.464 -14.645 8.654 1.00 12.22 H new ATOM 0 HG2 MET A 108 22.752 -13.463 7.218 1.00 61.04 H new ATOM 0 HG3 MET A 108 23.736 -14.913 7.192 1.00 61.04 H new ATOM 0 HE1 MET A 108 23.003 -12.613 4.104 1.00 74.15 H new ATOM 0 HE2 MET A 108 24.196 -13.042 5.353 1.00 74.15 H new ATOM 0 HE3 MET A 108 24.223 -13.866 3.776 1.00 74.15 H new ATOM 1533 N CYS A 109 20.564 -17.097 10.017 1.00 42.25 N ATOM 1534 CA CYS A 109 20.138 -17.297 11.396 1.00 5.24 C ATOM 1535 C CYS A 109 20.677 -18.615 11.946 1.00 13.42 C ATOM 1536 O CYS A 109 20.903 -18.751 13.149 1.00 63.04 O ATOM 1537 CB CYS A 109 18.611 -17.279 11.489 1.00 44.23 C ATOM 1538 SG CYS A 109 17.971 -17.055 13.179 1.00 3.35 S ATOM 0 H CYS A 109 19.816 -17.182 9.329 1.00 42.25 H new ATOM 0 HA CYS A 109 20.541 -16.481 11.996 1.00 5.24 H new ATOM 0 HB2 CYS A 109 18.229 -16.477 10.858 1.00 44.23 H new ATOM 0 HB3 CYS A 109 18.222 -18.214 11.086 1.00 44.23 H new ATOM 1543 N ARG A 110 20.879 -19.582 11.057 1.00 2.53 N ATOM 1544 CA ARG A 110 21.390 -20.889 11.453 1.00 53.50 C ATOM 1545 C ARG A 110 22.874 -20.810 11.800 1.00 34.21 C ATOM 1546 O ARG A 110 23.359 -21.545 12.661 1.00 42.22 O ATOM 1547 CB ARG A 110 21.170 -21.906 10.332 1.00 22.21 C ATOM 1548 CG ARG A 110 21.943 -23.201 10.525 1.00 51.21 C ATOM 1549 CD ARG A 110 21.081 -24.415 10.217 1.00 61.21 C ATOM 1550 NE ARG A 110 21.473 -25.579 11.007 1.00 30.11 N ATOM 1551 CZ ARG A 110 22.568 -26.293 10.771 1.00 3.41 C ATOM 1552 NH1 ARG A 110 23.376 -25.962 9.773 1.00 24.32 N ATOM 1553 NH2 ARG A 110 22.858 -27.339 11.535 1.00 55.34 N ATOM 0 H ARG A 110 20.697 -19.485 10.058 1.00 2.53 H new ATOM 0 HA ARG A 110 20.844 -21.212 12.340 1.00 53.50 H new ATOM 0 HB2 ARG A 110 20.106 -22.134 10.263 1.00 22.21 H new ATOM 0 HB3 ARG A 110 21.461 -21.457 9.383 1.00 22.21 H new ATOM 0 HG2 ARG A 110 22.820 -23.202 9.878 1.00 51.21 H new ATOM 0 HG3 ARG A 110 22.304 -23.261 11.552 1.00 51.21 H new ATOM 0 HD2 ARG A 110 20.036 -24.177 10.416 1.00 61.21 H new ATOM 0 HD3 ARG A 110 21.157 -24.654 9.156 1.00 61.21 H new ATOM 0 HE ARG A 110 20.873 -25.859 11.783 1.00 30.11 H new ATOM 0 HH11 ARG A 110 23.157 -25.158 9.185 1.00 24.32 H new ATOM 0 HH12 ARG A 110 24.216 -26.512 9.593 1.00 24.32 H new ATOM 0 HH21 ARG A 110 22.240 -27.596 12.305 1.00 55.34 H new ATOM 0 HH22 ARG A 110 23.699 -27.886 11.352 1.00 55.34 H new ATOM 1567 N ILE A 111 23.587 -19.916 11.124 1.00 25.25 N ATOM 1568 CA ILE A 111 25.015 -19.742 11.362 1.00 60.10 C ATOM 1569 C ILE A 111 25.295 -19.436 12.830 1.00 71.45 C ATOM 1570 O ILE A 111 26.400 -19.663 13.323 1.00 21.02 O ATOM 1571 CB ILE A 111 25.596 -18.611 10.494 1.00 43.33 C ATOM 1572 CG1 ILE A 111 26.623 -19.171 9.507 1.00 32.33 C ATOM 1573 CG2 ILE A 111 26.227 -17.540 11.372 1.00 60.15 C ATOM 1574 CD1 ILE A 111 26.066 -20.249 8.603 1.00 3.13 C ATOM 0 H ILE A 111 23.200 -19.301 10.408 1.00 25.25 H new ATOM 0 HA ILE A 111 25.497 -20.681 11.091 1.00 60.10 H new ATOM 0 HB ILE A 111 24.784 -18.156 9.926 1.00 43.33 H new ATOM 0 HG12 ILE A 111 27.007 -18.356 8.893 1.00 32.33 H new ATOM 0 HG13 ILE A 111 27.468 -19.576 10.064 1.00 32.33 H new ATOM 0 HG21 ILE A 111 26.633 -16.747 10.744 1.00 60.15 H new ATOM 0 HG22 ILE A 111 25.471 -17.124 12.038 1.00 60.15 H new ATOM 0 HG23 ILE A 111 27.029 -17.981 11.964 1.00 60.15 H new ATOM 0 HD11 ILE A 111 26.848 -20.600 7.930 1.00 3.13 H new ATOM 0 HD12 ILE A 111 25.708 -21.082 9.208 1.00 3.13 H new ATOM 0 HD13 ILE A 111 25.240 -19.843 8.019 1.00 3.13 H new ATOM 1586 N THR A 112 24.285 -18.921 13.524 1.00 21.52 N ATOM 1587 CA THR A 112 24.421 -18.585 14.936 1.00 63.23 C ATOM 1588 C THR A 112 23.993 -19.749 15.822 1.00 22.11 C ATOM 1589 O THR A 112 24.336 -19.801 17.003 1.00 70.02 O ATOM 1590 CB THR A 112 23.587 -17.343 15.300 1.00 13.04 C ATOM 1591 OG1 THR A 112 22.193 -17.619 15.120 1.00 2.14 O ATOM 1592 CG2 THR A 112 23.988 -16.151 14.444 1.00 33.22 C ATOM 0 H THR A 112 23.364 -18.727 13.131 1.00 21.52 H new ATOM 0 HA THR A 112 25.475 -18.369 15.110 1.00 63.23 H new ATOM 0 HB THR A 112 23.777 -17.099 16.345 1.00 13.04 H new ATOM 0 HG1 THR A 112 22.009 -17.768 14.169 1.00 2.14 H new ATOM 0 HG21 THR A 112 23.385 -15.286 14.720 1.00 33.22 H new ATOM 0 HG22 THR A 112 25.042 -15.925 14.606 1.00 33.22 H new ATOM 0 HG23 THR A 112 23.825 -16.387 13.392 1.00 33.22 H new ATOM 1600 N MET A 113 23.243 -20.682 15.245 1.00 54.43 N ATOM 1601 CA MET A 113 22.769 -21.847 15.983 1.00 4.32 C ATOM 1602 C MET A 113 23.931 -22.761 16.358 1.00 61.40 C ATOM 1603 O MET A 113 24.019 -23.235 17.490 1.00 34.41 O ATOM 1604 CB MET A 113 21.743 -22.620 15.154 1.00 73.41 C ATOM 1605 CG MET A 113 20.404 -21.912 15.029 1.00 51.41 C ATOM 1606 SD MET A 113 19.076 -23.020 14.521 1.00 34.34 S ATOM 1607 CE MET A 113 19.801 -23.775 13.068 1.00 23.12 C ATOM 0 H MET A 113 22.950 -20.654 14.268 1.00 54.43 H new ATOM 0 HA MET A 113 22.294 -21.497 16.900 1.00 4.32 H new ATOM 0 HB2 MET A 113 22.149 -22.791 14.157 1.00 73.41 H new ATOM 0 HB3 MET A 113 21.586 -23.599 15.607 1.00 73.41 H new ATOM 0 HG2 MET A 113 20.147 -21.458 15.986 1.00 51.41 H new ATOM 0 HG3 MET A 113 20.492 -21.102 14.305 1.00 51.41 H new ATOM 0 HE1 MET A 113 19.357 -24.758 12.909 1.00 23.12 H new ATOM 0 HE2 MET A 113 19.611 -23.146 12.198 1.00 23.12 H new ATOM 0 HE3 MET A 113 20.876 -23.881 13.211 1.00 23.12 H new ATOM 1617 N GLU A 114 24.820 -23.005 15.400 1.00 51.12 N ATOM 1618 CA GLU A 114 25.975 -23.864 15.631 1.00 62.21 C ATOM 1619 C GLU A 114 26.715 -23.452 16.900 1.00 14.05 C ATOM 1620 O GLU A 114 26.835 -24.219 17.856 1.00 34.00 O ATOM 1621 CB GLU A 114 26.926 -23.811 14.433 1.00 2.54 C ATOM 1622 CG GLU A 114 26.924 -25.079 13.597 1.00 24.23 C ATOM 1623 CD GLU A 114 27.988 -26.067 14.034 1.00 24.42 C ATOM 1624 OE1 GLU A 114 29.149 -25.920 13.597 1.00 60.31 O ATOM 1625 OE2 GLU A 114 27.661 -26.987 14.812 1.00 31.25 O ATOM 0 H GLU A 114 24.762 -22.620 14.457 1.00 51.12 H new ATOM 0 HA GLU A 114 25.616 -24.886 15.756 1.00 62.21 H new ATOM 0 HB2 GLU A 114 26.652 -22.968 13.799 1.00 2.54 H new ATOM 0 HB3 GLU A 114 27.938 -23.624 14.792 1.00 2.54 H new ATOM 0 HG2 GLU A 114 25.944 -25.552 13.664 1.00 24.23 H new ATOM 0 HG3 GLU A 114 27.082 -24.820 12.550 1.00 24.23 H new ATOM 1632 N PRO A 115 27.223 -22.211 16.912 1.00 43.11 N ATOM 1633 CA PRO A 115 27.960 -21.668 18.057 1.00 12.21 C ATOM 1634 C PRO A 115 27.057 -21.414 19.260 1.00 61.35 C ATOM 1635 O PRO A 115 27.356 -21.842 20.375 1.00 63.33 O ATOM 1636 CB PRO A 115 28.523 -20.348 17.523 1.00 33.23 C ATOM 1637 CG PRO A 115 27.594 -19.957 16.426 1.00 42.30 C ATOM 1638 CD PRO A 115 27.118 -21.242 15.808 1.00 62.21 C ATOM 0 HA PRO A 115 28.723 -22.359 18.415 1.00 12.21 H new ATOM 0 HB2 PRO A 115 28.557 -19.588 18.303 1.00 33.23 H new ATOM 0 HB3 PRO A 115 29.541 -20.472 17.154 1.00 33.23 H new ATOM 0 HG2 PRO A 115 26.756 -19.376 16.812 1.00 42.30 H new ATOM 0 HG3 PRO A 115 28.101 -19.334 15.689 1.00 42.30 H new ATOM 0 HD2 PRO A 115 26.094 -21.158 15.444 1.00 62.21 H new ATOM 0 HD3 PRO A 115 27.736 -21.532 14.958 1.00 62.21 H new ATOM 1646 N CYS A 116 25.951 -20.716 19.026 1.00 33.31 N ATOM 1647 CA CYS A 116 25.003 -20.405 20.090 1.00 64.42 C ATOM 1648 C CYS A 116 23.588 -20.814 19.694 1.00 74.30 C ATOM 1649 O CYS A 116 22.843 -20.026 19.111 1.00 33.13 O ATOM 1650 CB CYS A 116 25.042 -18.911 20.415 1.00 3.11 C ATOM 1651 SG CYS A 116 26.691 -18.295 20.885 1.00 40.34 S ATOM 0 H CYS A 116 25.689 -20.355 18.109 1.00 33.31 H new ATOM 0 HA CYS A 116 25.291 -20.970 20.976 1.00 64.42 H new ATOM 0 HB2 CYS A 116 24.691 -18.352 19.548 1.00 3.11 H new ATOM 0 HB3 CYS A 116 24.345 -18.709 21.228 1.00 3.11 H new ATOM 1656 N ARG A 117 23.223 -22.052 20.015 1.00 45.41 N ATOM 1657 CA ARG A 117 21.898 -22.566 19.692 1.00 10.13 C ATOM 1658 C ARG A 117 20.872 -22.112 20.727 1.00 62.12 C ATOM 1659 O ARG A 117 19.665 -22.198 20.498 1.00 64.23 O ATOM 1660 CB ARG A 117 21.924 -24.094 19.620 1.00 0.33 C ATOM 1661 CG ARG A 117 20.543 -24.723 19.536 1.00 61.10 C ATOM 1662 CD ARG A 117 20.628 -26.227 19.328 1.00 21.24 C ATOM 1663 NE ARG A 117 20.979 -26.571 17.953 1.00 54.10 N ATOM 1664 CZ ARG A 117 21.156 -27.817 17.529 1.00 22.45 C ATOM 1665 NH1 ARG A 117 21.016 -28.833 18.370 1.00 4.02 N ATOM 1666 NH2 ARG A 117 21.474 -28.050 16.262 1.00 11.13 N ATOM 0 H ARG A 117 23.827 -22.717 20.498 1.00 45.41 H new ATOM 0 HA ARG A 117 21.608 -22.168 18.719 1.00 10.13 H new ATOM 0 HB2 ARG A 117 22.506 -24.398 18.750 1.00 0.33 H new ATOM 0 HB3 ARG A 117 22.438 -24.482 20.499 1.00 0.33 H new ATOM 0 HG2 ARG A 117 19.989 -24.512 20.451 1.00 61.10 H new ATOM 0 HG3 ARG A 117 19.986 -24.272 18.715 1.00 61.10 H new ATOM 0 HD2 ARG A 117 21.371 -26.645 20.007 1.00 21.24 H new ATOM 0 HD3 ARG A 117 19.671 -26.683 19.583 1.00 21.24 H new ATOM 0 HE ARG A 117 21.095 -25.812 17.281 1.00 54.10 H new ATOM 0 HH11 ARG A 117 20.772 -28.658 19.345 1.00 4.02 H new ATOM 0 HH12 ARG A 117 21.152 -29.789 18.042 1.00 4.02 H new ATOM 0 HH21 ARG A 117 21.583 -27.271 15.612 1.00 11.13 H new ATOM 0 HH22 ARG A 117 21.610 -29.008 15.938 1.00 11.13 H new ATOM 1680 N ILE A 118 21.361 -21.630 21.865 1.00 74.14 N ATOM 1681 CA ILE A 118 20.486 -21.163 22.933 1.00 4.33 C ATOM 1682 C ILE A 118 19.480 -20.142 22.413 1.00 11.14 C ATOM 1683 O ILE A 118 18.416 -19.947 23.003 1.00 50.14 O ATOM 1684 CB ILE A 118 21.292 -20.532 24.084 1.00 22.14 C ATOM 1685 CG1 ILE A 118 22.273 -21.551 24.667 1.00 24.23 C ATOM 1686 CG2 ILE A 118 20.355 -20.013 25.165 1.00 60.13 C ATOM 1687 CD1 ILE A 118 21.607 -22.815 25.165 1.00 4.23 C ATOM 0 H ILE A 118 22.357 -21.553 22.071 1.00 74.14 H new ATOM 0 HA ILE A 118 19.952 -22.036 23.309 1.00 4.33 H new ATOM 0 HB ILE A 118 21.862 -19.691 23.690 1.00 22.14 H new ATOM 0 HG12 ILE A 118 23.008 -21.813 23.905 1.00 24.23 H new ATOM 0 HG13 ILE A 118 22.818 -21.089 25.490 1.00 24.23 H new ATOM 0 HG21 ILE A 118 20.940 -19.570 25.971 1.00 60.13 H new ATOM 0 HG22 ILE A 118 19.692 -19.259 24.741 1.00 60.13 H new ATOM 0 HG23 ILE A 118 19.761 -20.838 25.558 1.00 60.13 H new ATOM 0 HD11 ILE A 118 22.363 -23.491 25.564 1.00 4.23 H new ATOM 0 HD12 ILE A 118 20.893 -22.565 25.949 1.00 4.23 H new ATOM 0 HD13 ILE A 118 21.085 -23.300 24.340 1.00 4.23 H new ATOM 1699 N LEU A 119 19.822 -19.494 21.305 1.00 12.24 N ATOM 1700 CA LEU A 119 18.947 -18.493 20.703 1.00 22.34 C ATOM 1701 C LEU A 119 18.051 -19.122 19.641 1.00 45.23 C ATOM 1702 O LEU A 119 17.674 -18.469 18.667 1.00 24.21 O ATOM 1703 CB LEU A 119 19.778 -17.367 20.086 1.00 55.23 C ATOM 1704 CG LEU A 119 20.021 -16.147 20.975 1.00 22.33 C ATOM 1705 CD1 LEU A 119 18.759 -15.306 21.086 1.00 71.32 C ATOM 1706 CD2 LEU A 119 20.499 -16.580 22.354 1.00 14.31 C ATOM 0 H LEU A 119 20.698 -19.643 20.805 1.00 12.24 H new ATOM 0 HA LEU A 119 18.313 -18.080 21.487 1.00 22.34 H new ATOM 0 HB2 LEU A 119 20.745 -17.775 19.792 1.00 55.23 H new ATOM 0 HB3 LEU A 119 19.282 -17.034 19.174 1.00 55.23 H new ATOM 0 HG LEU A 119 20.799 -15.537 20.517 1.00 22.33 H new ATOM 0 HD11 LEU A 119 18.952 -14.443 21.723 1.00 71.32 H new ATOM 0 HD12 LEU A 119 18.460 -14.966 20.094 1.00 71.32 H new ATOM 0 HD13 LEU A 119 17.959 -15.906 21.521 1.00 71.32 H new ATOM 0 HD21 LEU A 119 20.667 -15.699 22.974 1.00 14.31 H new ATOM 0 HD22 LEU A 119 19.743 -17.212 22.819 1.00 14.31 H new ATOM 0 HD23 LEU A 119 21.430 -17.139 22.258 1.00 14.31 H new ATOM 1718 N TYR A 120 17.713 -20.391 19.835 1.00 31.34 N ATOM 1719 CA TYR A 120 16.861 -21.108 18.894 1.00 63.33 C ATOM 1720 C TYR A 120 15.654 -20.264 18.499 1.00 15.34 C ATOM 1721 O TYR A 120 15.191 -20.316 17.361 1.00 51.13 O ATOM 1722 CB TYR A 120 16.395 -22.432 19.501 1.00 22.42 C ATOM 1723 CG TYR A 120 16.318 -22.412 21.011 1.00 24.01 C ATOM 1724 CD1 TYR A 120 15.311 -21.713 21.666 1.00 64.05 C ATOM 1725 CD2 TYR A 120 17.253 -23.091 21.783 1.00 11.34 C ATOM 1726 CE1 TYR A 120 15.237 -21.691 23.045 1.00 45.11 C ATOM 1727 CE2 TYR A 120 17.186 -23.075 23.163 1.00 31.30 C ATOM 1728 CZ TYR A 120 16.177 -22.374 23.789 1.00 14.11 C ATOM 1729 OH TYR A 120 16.107 -22.355 25.163 1.00 23.03 O ATOM 0 H TYR A 120 18.016 -20.945 20.636 1.00 31.34 H new ATOM 0 HA TYR A 120 17.447 -21.313 17.998 1.00 63.33 H new ATOM 0 HB2 TYR A 120 15.413 -22.681 19.099 1.00 22.42 H new ATOM 0 HB3 TYR A 120 17.076 -23.224 19.191 1.00 22.42 H new ATOM 0 HD1 TYR A 120 14.573 -21.178 21.087 1.00 64.05 H new ATOM 0 HD2 TYR A 120 18.045 -23.640 21.296 1.00 11.34 H new ATOM 0 HE1 TYR A 120 14.448 -21.142 23.538 1.00 45.11 H new ATOM 0 HE2 TYR A 120 17.920 -23.609 23.748 1.00 31.30 H new ATOM 0 HH TYR A 120 16.842 -22.886 25.535 1.00 23.03 H new ATOM 1739 N ASN A 121 15.148 -19.485 19.451 1.00 43.04 N ATOM 1740 CA ASN A 121 13.994 -18.628 19.204 1.00 22.12 C ATOM 1741 C ASN A 121 13.643 -17.818 20.448 1.00 11.41 C ATOM 1742 O ASN A 121 13.344 -16.626 20.363 1.00 1.11 O ATOM 1743 CB ASN A 121 12.791 -19.469 18.773 1.00 21.32 C ATOM 1744 CG ASN A 121 12.727 -20.800 19.497 1.00 21.31 C ATOM 1745 OD1 ASN A 121 13.146 -21.829 18.966 1.00 3.04 O ATOM 1746 ND2 ASN A 121 12.200 -20.786 20.716 1.00 3.00 N ATOM 0 H ASN A 121 15.519 -19.430 20.400 1.00 43.04 H new ATOM 0 HA ASN A 121 14.251 -17.936 18.402 1.00 22.12 H new ATOM 0 HB2 ASN A 121 11.874 -18.911 18.963 1.00 21.32 H new ATOM 0 HB3 ASN A 121 12.840 -19.645 17.698 1.00 21.32 H new ATOM 0 HD21 ASN A 121 12.130 -21.651 21.251 1.00 3.00 H new ATOM 0 HD22 ASN A 121 11.865 -19.910 21.117 1.00 3.00 H new ATOM 1753 N THR A 122 13.681 -18.472 21.605 1.00 64.13 N ATOM 1754 CA THR A 122 13.367 -17.814 22.866 1.00 10.33 C ATOM 1755 C THR A 122 14.258 -16.597 23.089 1.00 62.23 C ATOM 1756 O THR A 122 15.481 -16.681 22.973 1.00 5.53 O ATOM 1757 CB THR A 122 13.526 -18.777 24.058 1.00 60.14 C ATOM 1758 OG1 THR A 122 12.597 -19.860 23.940 1.00 54.05 O ATOM 1759 CG2 THR A 122 13.301 -18.050 25.375 1.00 60.40 C ATOM 0 H THR A 122 13.927 -19.458 21.694 1.00 64.13 H new ATOM 0 HA THR A 122 12.327 -17.493 22.804 1.00 10.33 H new ATOM 0 HB THR A 122 14.543 -19.169 24.047 1.00 60.14 H new ATOM 0 HG1 THR A 122 12.706 -20.468 24.700 1.00 54.05 H new ATOM 0 HG21 THR A 122 13.419 -18.750 26.202 1.00 60.40 H new ATOM 0 HG22 THR A 122 14.029 -17.245 25.475 1.00 60.40 H new ATOM 0 HG23 THR A 122 12.294 -17.633 25.393 1.00 60.40 H new ATOM 1767 N THR A 123 13.638 -15.466 23.409 1.00 1.42 N ATOM 1768 CA THR A 123 14.375 -14.231 23.647 1.00 23.25 C ATOM 1769 C THR A 123 15.459 -14.432 24.701 1.00 71.45 C ATOM 1770 O THR A 123 15.177 -14.455 25.899 1.00 65.21 O ATOM 1771 CB THR A 123 13.438 -13.096 24.102 1.00 63.12 C ATOM 1772 OG1 THR A 123 14.208 -11.982 24.568 1.00 22.52 O ATOM 1773 CG2 THR A 123 12.507 -13.573 25.206 1.00 55.22 C ATOM 0 H THR A 123 12.627 -15.379 23.509 1.00 1.42 H new ATOM 0 HA THR A 123 14.838 -13.953 22.701 1.00 23.25 H new ATOM 0 HB THR A 123 12.835 -12.788 23.248 1.00 63.12 H new ATOM 0 HG1 THR A 123 13.605 -11.264 24.854 1.00 22.52 H new ATOM 0 HG21 THR A 123 11.855 -12.755 25.511 1.00 55.22 H new ATOM 0 HG22 THR A 123 11.902 -14.402 24.839 1.00 55.22 H new ATOM 0 HG23 THR A 123 13.096 -13.905 26.061 1.00 55.22 H new ATOM 1781 N PHE A 124 16.699 -14.577 24.246 1.00 23.52 N ATOM 1782 CA PHE A 124 17.826 -14.777 25.150 1.00 21.21 C ATOM 1783 C PHE A 124 18.811 -13.616 25.056 1.00 44.12 C ATOM 1784 O PHE A 124 19.255 -13.080 26.071 1.00 3.42 O ATOM 1785 CB PHE A 124 18.538 -16.093 24.828 1.00 4.44 C ATOM 1786 CG PHE A 124 18.351 -17.148 25.880 1.00 21.51 C ATOM 1787 CD1 PHE A 124 18.857 -16.970 27.158 1.00 60.05 C ATOM 1788 CD2 PHE A 124 17.670 -18.320 25.591 1.00 54.30 C ATOM 1789 CE1 PHE A 124 18.686 -17.940 28.128 1.00 42.52 C ATOM 1790 CE2 PHE A 124 17.495 -19.292 26.557 1.00 23.42 C ATOM 1791 CZ PHE A 124 18.005 -19.103 27.827 1.00 43.33 C ATOM 0 H PHE A 124 16.949 -14.560 23.257 1.00 23.52 H new ATOM 0 HA PHE A 124 17.440 -14.821 26.168 1.00 21.21 H new ATOM 0 HB2 PHE A 124 18.170 -16.472 23.875 1.00 4.44 H new ATOM 0 HB3 PHE A 124 19.604 -15.900 24.704 1.00 4.44 H new ATOM 0 HD1 PHE A 124 19.391 -16.063 27.399 1.00 60.05 H new ATOM 0 HD2 PHE A 124 17.272 -18.475 24.599 1.00 54.30 H new ATOM 0 HE1 PHE A 124 19.085 -17.788 29.120 1.00 42.52 H new ATOM 0 HE2 PHE A 124 16.960 -20.199 26.319 1.00 23.42 H new ATOM 0 HZ PHE A 124 17.871 -19.863 28.583 1.00 43.33 H new ATOM 1801 N PHE A 125 19.150 -13.233 23.829 1.00 14.10 N ATOM 1802 CA PHE A 125 20.084 -12.137 23.601 1.00 54.54 C ATOM 1803 C PHE A 125 19.353 -10.897 23.092 1.00 2.14 C ATOM 1804 O PHE A 125 18.226 -10.967 22.602 1.00 43.15 O ATOM 1805 CB PHE A 125 21.159 -12.556 22.597 1.00 45.23 C ATOM 1806 CG PHE A 125 22.361 -13.190 23.236 1.00 23.31 C ATOM 1807 CD1 PHE A 125 22.986 -12.589 24.317 1.00 31.10 C ATOM 1808 CD2 PHE A 125 22.866 -14.388 22.757 1.00 62.22 C ATOM 1809 CE1 PHE A 125 24.092 -13.171 24.907 1.00 44.44 C ATOM 1810 CE2 PHE A 125 23.972 -14.975 23.343 1.00 42.34 C ATOM 1811 CZ PHE A 125 24.585 -14.365 24.420 1.00 64.43 C ATOM 0 H PHE A 125 18.792 -13.666 22.978 1.00 14.10 H new ATOM 0 HA PHE A 125 20.559 -11.894 24.551 1.00 54.54 H new ATOM 0 HB2 PHE A 125 20.725 -13.256 21.883 1.00 45.23 H new ATOM 0 HB3 PHE A 125 21.478 -11.680 22.031 1.00 45.23 H new ATOM 0 HD1 PHE A 125 22.604 -11.655 24.703 1.00 31.10 H new ATOM 0 HD2 PHE A 125 22.390 -14.869 21.916 1.00 62.22 H new ATOM 0 HE1 PHE A 125 24.570 -12.692 25.749 1.00 44.44 H new ATOM 0 HE2 PHE A 125 24.356 -15.909 22.959 1.00 42.34 H new ATOM 0 HZ PHE A 125 25.449 -14.821 24.880 1.00 64.43 H new ATOM 1821 N PRO A 126 20.009 -9.733 23.213 1.00 64.30 N ATOM 1822 CA PRO A 126 19.442 -8.455 22.772 1.00 24.40 C ATOM 1823 C PRO A 126 19.347 -8.357 21.253 1.00 10.23 C ATOM 1824 O PRO A 126 19.442 -9.362 20.548 1.00 14.42 O ATOM 1825 CB PRO A 126 20.433 -7.422 23.314 1.00 41.02 C ATOM 1826 CG PRO A 126 21.721 -8.160 23.436 1.00 23.15 C ATOM 1827 CD PRO A 126 21.356 -9.576 23.789 1.00 54.44 C ATOM 0 HA PRO A 126 18.422 -8.316 23.130 1.00 24.40 H new ATOM 0 HB2 PRO A 126 20.527 -6.571 22.639 1.00 41.02 H new ATOM 0 HB3 PRO A 126 20.109 -7.030 24.278 1.00 41.02 H new ATOM 0 HG2 PRO A 126 22.282 -8.123 22.502 1.00 23.15 H new ATOM 0 HG3 PRO A 126 22.353 -7.717 24.205 1.00 23.15 H new ATOM 0 HD2 PRO A 126 22.061 -10.291 23.364 1.00 54.44 H new ATOM 0 HD3 PRO A 126 21.353 -9.734 24.868 1.00 54.44 H new ATOM 1835 N LYS A 127 19.159 -7.140 20.755 1.00 44.52 N ATOM 1836 CA LYS A 127 19.053 -6.908 19.319 1.00 31.31 C ATOM 1837 C LYS A 127 20.227 -7.540 18.578 1.00 51.23 C ATOM 1838 O LYS A 127 20.134 -7.838 17.387 1.00 40.43 O ATOM 1839 CB LYS A 127 18.999 -5.407 19.026 1.00 31.21 C ATOM 1840 CG LYS A 127 20.357 -4.728 19.077 1.00 73.43 C ATOM 1841 CD LYS A 127 20.900 -4.672 20.495 1.00 73.52 C ATOM 1842 CE LYS A 127 19.962 -3.913 21.421 1.00 22.10 C ATOM 1843 NZ LYS A 127 20.683 -2.878 22.213 1.00 20.52 N ATOM 0 H LYS A 127 19.077 -6.298 21.325 1.00 44.52 H new ATOM 0 HA LYS A 127 18.132 -7.373 18.968 1.00 31.31 H new ATOM 0 HB2 LYS A 127 18.562 -5.253 18.039 1.00 31.21 H new ATOM 0 HB3 LYS A 127 18.336 -4.928 19.746 1.00 31.21 H new ATOM 0 HG2 LYS A 127 21.058 -5.266 18.439 1.00 73.43 H new ATOM 0 HG3 LYS A 127 20.274 -3.717 18.678 1.00 73.43 H new ATOM 0 HD2 LYS A 127 21.043 -5.685 20.871 1.00 73.52 H new ATOM 0 HD3 LYS A 127 21.878 -4.191 20.492 1.00 73.52 H new ATOM 0 HE2 LYS A 127 19.176 -3.439 20.833 1.00 22.10 H new ATOM 0 HE3 LYS A 127 19.474 -4.614 22.098 1.00 22.10 H new ATOM 0 HZ1 LYS A 127 20.010 -2.383 22.832 1.00 20.52 H new ATOM 0 HZ2 LYS A 127 21.416 -3.333 22.793 1.00 20.52 H new ATOM 0 HZ3 LYS A 127 21.128 -2.194 21.568 1.00 20.52 H new ATOM 1857 N PHE A 128 21.330 -7.743 19.290 1.00 44.21 N ATOM 1858 CA PHE A 128 22.523 -8.340 18.699 1.00 15.31 C ATOM 1859 C PHE A 128 22.158 -9.552 17.847 1.00 45.01 C ATOM 1860 O PHE A 128 22.759 -9.792 16.799 1.00 45.53 O ATOM 1861 CB PHE A 128 23.509 -8.750 19.794 1.00 5.30 C ATOM 1862 CG PHE A 128 24.270 -10.005 19.476 1.00 63.11 C ATOM 1863 CD1 PHE A 128 25.381 -9.967 18.649 1.00 42.34 C ATOM 1864 CD2 PHE A 128 23.875 -11.223 20.004 1.00 30.34 C ATOM 1865 CE1 PHE A 128 26.082 -11.121 18.354 1.00 44.43 C ATOM 1866 CE2 PHE A 128 24.573 -12.380 19.713 1.00 34.53 C ATOM 1867 CZ PHE A 128 25.678 -12.329 18.888 1.00 45.34 C ATOM 0 H PHE A 128 21.423 -7.503 20.277 1.00 44.21 H new ATOM 0 HA PHE A 128 22.993 -7.595 18.057 1.00 15.31 H new ATOM 0 HB2 PHE A 128 24.217 -7.937 19.958 1.00 5.30 H new ATOM 0 HB3 PHE A 128 22.965 -8.891 20.728 1.00 5.30 H new ATOM 0 HD1 PHE A 128 25.703 -9.025 18.230 1.00 42.34 H new ATOM 0 HD2 PHE A 128 23.011 -11.269 20.651 1.00 30.34 H new ATOM 0 HE1 PHE A 128 26.945 -11.078 17.706 1.00 44.43 H new ATOM 0 HE2 PHE A 128 24.254 -13.323 20.131 1.00 34.53 H new ATOM 0 HZ PHE A 128 26.226 -13.232 18.660 1.00 45.34 H new ATOM 1877 N LEU A 129 21.171 -10.314 18.304 1.00 2.03 N ATOM 1878 CA LEU A 129 20.726 -11.503 17.585 1.00 0.42 C ATOM 1879 C LEU A 129 19.354 -11.278 16.958 1.00 41.53 C ATOM 1880 O LEU A 129 18.362 -11.872 17.380 1.00 23.11 O ATOM 1881 CB LEU A 129 20.677 -12.705 18.529 1.00 35.23 C ATOM 1882 CG LEU A 129 20.874 -14.076 17.881 1.00 11.01 C ATOM 1883 CD1 LEU A 129 19.755 -14.365 16.892 1.00 4.21 C ATOM 1884 CD2 LEU A 129 22.229 -14.150 17.193 1.00 62.30 C ATOM 0 H LEU A 129 20.663 -10.130 19.169 1.00 2.03 H new ATOM 0 HA LEU A 129 21.441 -11.704 16.787 1.00 0.42 H new ATOM 0 HB2 LEU A 129 21.443 -12.573 19.293 1.00 35.23 H new ATOM 0 HB3 LEU A 129 19.714 -12.702 19.039 1.00 35.23 H new ATOM 0 HG LEU A 129 20.844 -14.834 18.663 1.00 11.01 H new ATOM 0 HD11 LEU A 129 19.912 -15.345 16.441 1.00 4.21 H new ATOM 0 HD12 LEU A 129 18.797 -14.355 17.413 1.00 4.21 H new ATOM 0 HD13 LEU A 129 19.752 -13.603 16.113 1.00 4.21 H new ATOM 0 HD21 LEU A 129 22.352 -15.132 16.737 1.00 62.30 H new ATOM 0 HD22 LEU A 129 22.288 -13.382 16.422 1.00 62.30 H new ATOM 0 HD23 LEU A 129 23.019 -13.988 17.927 1.00 62.30 H new ATOM 1896 N ARG A 130 19.306 -10.417 15.946 1.00 12.01 N ATOM 1897 CA ARG A 130 18.056 -10.114 15.260 1.00 72.35 C ATOM 1898 C ARG A 130 17.937 -10.917 13.968 1.00 71.54 C ATOM 1899 O ARG A 130 18.374 -10.474 12.905 1.00 2.34 O ATOM 1900 CB ARG A 130 17.967 -8.618 14.953 1.00 61.35 C ATOM 1901 CG ARG A 130 17.380 -7.797 16.089 1.00 60.11 C ATOM 1902 CD ARG A 130 15.894 -7.547 15.886 1.00 72.33 C ATOM 1903 NE ARG A 130 15.510 -6.190 16.266 1.00 71.44 N ATOM 1904 CZ ARG A 130 15.722 -5.125 15.501 1.00 61.33 C ATOM 1905 NH1 ARG A 130 16.311 -5.259 14.321 1.00 64.24 N ATOM 1906 NH2 ARG A 130 15.344 -3.923 15.916 1.00 71.02 N ATOM 0 H ARG A 130 20.118 -9.917 15.584 1.00 12.01 H new ATOM 0 HA ARG A 130 17.233 -10.392 15.918 1.00 72.35 H new ATOM 0 HB2 ARG A 130 18.964 -8.243 14.723 1.00 61.35 H new ATOM 0 HB3 ARG A 130 17.358 -8.475 14.060 1.00 61.35 H new ATOM 0 HG2 ARG A 130 17.537 -8.317 17.034 1.00 60.11 H new ATOM 0 HG3 ARG A 130 17.904 -6.844 16.159 1.00 60.11 H new ATOM 0 HD2 ARG A 130 15.637 -7.717 14.840 1.00 72.33 H new ATOM 0 HD3 ARG A 130 15.322 -8.264 16.475 1.00 72.33 H new ATOM 0 HE ARG A 130 15.054 -6.053 17.168 1.00 71.44 H new ATOM 0 HH11 ARG A 130 16.603 -6.182 13.998 1.00 64.24 H new ATOM 0 HH12 ARG A 130 16.473 -4.439 13.736 1.00 64.24 H new ATOM 0 HH21 ARG A 130 14.890 -3.816 16.823 1.00 71.02 H new ATOM 0 HH22 ARG A 130 15.507 -3.106 15.328 1.00 71.02 H new ATOM 1920 N CYS A 131 17.343 -12.102 14.066 1.00 72.00 N ATOM 1921 CA CYS A 131 17.167 -12.968 12.907 1.00 73.42 C ATOM 1922 C CYS A 131 15.851 -13.736 12.996 1.00 13.22 C ATOM 1923 O CYS A 131 15.438 -14.156 14.076 1.00 70.50 O ATOM 1924 CB CYS A 131 18.335 -13.950 12.795 1.00 43.51 C ATOM 1925 SG CYS A 131 18.273 -15.320 13.994 1.00 43.41 S ATOM 0 H CYS A 131 16.975 -12.484 14.937 1.00 72.00 H new ATOM 0 HA CYS A 131 17.142 -12.340 12.017 1.00 73.42 H new ATOM 0 HB2 CYS A 131 18.352 -14.364 11.787 1.00 43.51 H new ATOM 0 HB3 CYS A 131 19.269 -13.404 12.931 1.00 43.51 H new ATOM 1930 N ASN A 132 15.197 -13.914 11.853 1.00 42.14 N ATOM 1931 CA ASN A 132 13.928 -14.630 11.801 1.00 31.33 C ATOM 1932 C ASN A 132 14.132 -16.118 12.071 1.00 74.01 C ATOM 1933 O ASN A 132 14.926 -16.777 11.401 1.00 50.33 O ATOM 1934 CB ASN A 132 13.263 -14.434 10.438 1.00 75.14 C ATOM 1935 CG ASN A 132 14.239 -14.598 9.289 1.00 40.21 C ATOM 1936 OD1 ASN A 132 14.756 -15.689 9.050 1.00 61.11 O ATOM 1937 ND2 ASN A 132 14.496 -13.510 8.572 1.00 61.24 N ATOM 0 H ASN A 132 15.525 -13.572 10.950 1.00 42.14 H new ATOM 0 HA ASN A 132 13.278 -14.224 12.576 1.00 31.33 H new ATOM 0 HB2 ASN A 132 12.451 -15.152 10.326 1.00 75.14 H new ATOM 0 HB3 ASN A 132 12.818 -13.440 10.394 1.00 75.14 H new ATOM 0 HD21 ASN A 132 15.145 -13.558 7.787 1.00 61.24 H new ATOM 0 HD22 ASN A 132 14.044 -12.626 8.807 1.00 61.24 H new ATOM 1944 N GLU A 133 13.408 -16.640 13.056 1.00 12.13 N ATOM 1945 CA GLU A 133 13.510 -18.050 13.414 1.00 12.22 C ATOM 1946 C GLU A 133 12.131 -18.643 13.688 1.00 13.22 C ATOM 1947 O GLU A 133 11.837 -19.772 13.293 1.00 3.33 O ATOM 1948 CB GLU A 133 14.405 -18.224 14.643 1.00 41.42 C ATOM 1949 CG GLU A 133 13.993 -17.361 15.823 1.00 14.44 C ATOM 1950 CD GLU A 133 15.170 -16.663 16.476 1.00 44.13 C ATOM 1951 OE1 GLU A 133 16.305 -17.169 16.349 1.00 11.20 O ATOM 1952 OE2 GLU A 133 14.957 -15.610 17.113 1.00 32.20 O ATOM 0 H GLU A 133 12.745 -16.108 13.620 1.00 12.13 H new ATOM 0 HA GLU A 133 13.954 -18.581 12.572 1.00 12.22 H new ATOM 0 HB2 GLU A 133 14.391 -19.271 14.947 1.00 41.42 H new ATOM 0 HB3 GLU A 133 15.433 -17.985 14.370 1.00 41.42 H new ATOM 0 HG2 GLU A 133 13.273 -16.614 15.488 1.00 14.44 H new ATOM 0 HG3 GLU A 133 13.488 -17.982 16.563 1.00 14.44 H new ATOM 1959 N THR A 134 11.287 -17.873 14.369 1.00 74.24 N ATOM 1960 CA THR A 134 9.939 -18.321 14.698 1.00 65.43 C ATOM 1961 C THR A 134 9.097 -18.501 13.440 1.00 41.01 C ATOM 1962 O THR A 134 8.302 -19.436 13.341 1.00 33.33 O ATOM 1963 CB THR A 134 9.231 -17.329 15.639 1.00 43.53 C ATOM 1964 OG1 THR A 134 9.346 -15.998 15.122 1.00 15.25 O ATOM 1965 CG2 THR A 134 9.828 -17.389 17.037 1.00 52.52 C ATOM 0 H THR A 134 11.513 -16.936 14.703 1.00 74.24 H new ATOM 0 HA THR A 134 10.040 -19.281 15.204 1.00 65.43 H new ATOM 0 HB THR A 134 8.178 -17.606 15.699 1.00 43.53 H new ATOM 0 HG1 THR A 134 8.892 -15.373 15.725 1.00 15.25 H new ATOM 0 HG21 THR A 134 9.312 -16.680 17.684 1.00 52.52 H new ATOM 0 HG22 THR A 134 9.714 -18.396 17.439 1.00 52.52 H new ATOM 0 HG23 THR A 134 10.887 -17.135 16.992 1.00 52.52 H new ATOM 1973 N LEU A 135 9.277 -17.601 12.480 1.00 54.51 N ATOM 1974 CA LEU A 135 8.533 -17.660 11.226 1.00 31.13 C ATOM 1975 C LEU A 135 9.089 -18.749 10.314 1.00 2.13 C ATOM 1976 O LEU A 135 9.919 -19.558 10.730 1.00 13.05 O ATOM 1977 CB LEU A 135 8.585 -16.307 10.515 1.00 60.03 C ATOM 1978 CG LEU A 135 9.975 -15.812 10.115 1.00 64.24 C ATOM 1979 CD1 LEU A 135 10.269 -16.162 8.664 1.00 42.51 C ATOM 1980 CD2 LEU A 135 10.092 -14.312 10.338 1.00 42.50 C ATOM 0 H LEU A 135 9.932 -16.821 12.545 1.00 54.51 H new ATOM 0 HA LEU A 135 7.496 -17.901 11.458 1.00 31.13 H new ATOM 0 HB2 LEU A 135 7.970 -16.367 9.617 1.00 60.03 H new ATOM 0 HB3 LEU A 135 8.128 -15.560 11.164 1.00 60.03 H new ATOM 0 HG LEU A 135 10.712 -16.311 10.744 1.00 64.24 H new ATOM 0 HD11 LEU A 135 11.263 -15.802 8.397 1.00 42.51 H new ATOM 0 HD12 LEU A 135 10.228 -17.244 8.535 1.00 42.51 H new ATOM 0 HD13 LEU A 135 9.527 -15.692 8.019 1.00 42.51 H new ATOM 0 HD21 LEU A 135 11.088 -13.978 10.048 1.00 42.50 H new ATOM 0 HD22 LEU A 135 9.346 -13.795 9.735 1.00 42.50 H new ATOM 0 HD23 LEU A 135 9.926 -14.087 11.392 1.00 42.50 H new ATOM 1992 N PHE A 136 8.629 -18.762 9.068 1.00 53.21 N ATOM 1993 CA PHE A 136 9.081 -19.750 8.096 1.00 62.31 C ATOM 1994 C PHE A 136 9.961 -19.103 7.030 1.00 15.54 C ATOM 1995 O PHE A 136 9.505 -18.757 5.940 1.00 44.31 O ATOM 1996 CB PHE A 136 7.882 -20.435 7.437 1.00 51.44 C ATOM 1997 CG PHE A 136 7.638 -21.830 7.937 1.00 41.32 C ATOM 1998 CD1 PHE A 136 7.374 -22.063 9.277 1.00 73.24 C ATOM 1999 CD2 PHE A 136 7.674 -22.908 7.067 1.00 10.30 C ATOM 2000 CE1 PHE A 136 7.149 -23.346 9.740 1.00 15.22 C ATOM 2001 CE2 PHE A 136 7.449 -24.192 7.525 1.00 62.33 C ATOM 2002 CZ PHE A 136 7.187 -24.412 8.863 1.00 4.20 C ATOM 0 H PHE A 136 7.943 -18.099 8.707 1.00 53.21 H new ATOM 0 HA PHE A 136 9.672 -20.498 8.625 1.00 62.31 H new ATOM 0 HB2 PHE A 136 6.990 -19.834 7.611 1.00 51.44 H new ATOM 0 HB3 PHE A 136 8.039 -20.467 6.359 1.00 51.44 H new ATOM 0 HD1 PHE A 136 7.344 -21.233 9.967 1.00 73.24 H new ATOM 0 HD2 PHE A 136 7.880 -22.743 6.020 1.00 10.30 H new ATOM 0 HE1 PHE A 136 6.944 -23.514 10.787 1.00 15.22 H new ATOM 0 HE2 PHE A 136 7.478 -25.024 6.837 1.00 62.33 H new ATOM 0 HZ PHE A 136 7.012 -25.415 9.223 1.00 4.20 H new ATOM 2012 N PRO A 137 11.252 -18.933 7.352 1.00 34.12 N ATOM 2013 CA PRO A 137 12.223 -18.326 6.437 1.00 35.00 C ATOM 2014 C PRO A 137 12.536 -19.224 5.245 1.00 21.24 C ATOM 2015 O PRO A 137 12.524 -18.778 4.098 1.00 63.04 O ATOM 2016 CB PRO A 137 13.466 -18.143 7.310 1.00 3.52 C ATOM 2017 CG PRO A 137 13.337 -19.176 8.376 1.00 41.24 C ATOM 2018 CD PRO A 137 11.863 -19.322 8.634 1.00 0.22 C ATOM 0 HA PRO A 137 11.850 -17.398 6.003 1.00 35.00 H new ATOM 0 HB2 PRO A 137 14.380 -18.283 6.732 1.00 3.52 H new ATOM 0 HB3 PRO A 137 13.507 -17.140 7.734 1.00 3.52 H new ATOM 0 HG2 PRO A 137 13.773 -20.123 8.057 1.00 41.24 H new ATOM 0 HG3 PRO A 137 13.863 -18.871 9.281 1.00 41.24 H new ATOM 0 HD2 PRO A 137 11.603 -20.344 8.910 1.00 0.22 H new ATOM 0 HD3 PRO A 137 11.532 -18.678 9.449 1.00 0.22 H new