USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 515 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 SER OG : rot 180:sc= 0.00338 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.58! X(o=-1.6!,f=-2) USER MOD Single : A 24 LYS NZ :NH3+ 149:sc= -0.184 (180deg=-0.95) USER MOD Single : A 25 HIS : no HE2:sc= -2.04! C(o=-2!,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0259 USER MOD Single : A 33 ASN : amide:sc= -0.764 K(o=-0.76,f=0) USER MOD Single : A 37 GLN : amide:sc= -1.67! C(o=-1.7!,f=0.37!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.0164 X(o=-0.016,f=0) USER MOD Single : A 45 ASN : amide:sc= -2.84! K(o=-2.8!,f=-0.6) USER MOD Single : A 46 ASN : amide:sc= 0.912 K(o=0.91,f=-6.8!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 61 TYR OH : rot 130:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 164:sc= 1 (180deg=0.832) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 68 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0912) USER MOD ----------------------------------------------------------------- ATOM 139 N CYS A 9 -2.496 -5.709 -0.080 1.00 23.42 N ATOM 140 CA CYS A 9 -1.814 -4.804 0.859 1.00 63.15 C ATOM 141 C CYS A 9 -2.781 -4.160 1.907 1.00 13.32 C ATOM 142 O CYS A 9 -3.970 -4.493 1.954 1.00 50.32 O ATOM 143 CB CYS A 9 -1.099 -3.743 0.023 1.00 12.32 C ATOM 144 SG CYS A 9 0.098 -4.467 -1.115 1.00 53.44 S ATOM 0 HA CYS A 9 -1.102 -5.373 1.457 1.00 63.15 H new ATOM 0 HB2 CYS A 9 -1.835 -3.171 -0.542 1.00 12.32 H new ATOM 0 HB3 CYS A 9 -0.591 -3.042 0.685 1.00 12.32 H new ATOM 149 N PRO A 10 -2.269 -3.294 2.836 1.00 4.25 N ATOM 150 CA PRO A 10 -3.141 -2.516 3.738 1.00 31.03 C ATOM 151 C PRO A 10 -3.993 -1.528 2.938 1.00 63.42 C ATOM 152 O PRO A 10 -5.125 -1.191 3.321 1.00 11.22 O ATOM 153 CB PRO A 10 -2.143 -1.764 4.632 1.00 12.15 C ATOM 154 CG PRO A 10 -0.905 -2.583 4.560 1.00 25.14 C ATOM 155 CD PRO A 10 -0.840 -3.067 3.152 1.00 70.44 C ATOM 0 HA PRO A 10 -3.838 -3.136 4.301 1.00 31.03 H new ATOM 0 HB2 PRO A 10 -1.971 -0.749 4.272 1.00 12.15 H new ATOM 0 HB3 PRO A 10 -2.508 -1.682 5.656 1.00 12.15 H new ATOM 0 HG2 PRO A 10 -0.026 -1.991 4.814 1.00 25.14 H new ATOM 0 HG3 PRO A 10 -0.942 -3.416 5.262 1.00 25.14 H new ATOM 0 HD2 PRO A 10 -0.388 -2.330 2.488 1.00 70.44 H new ATOM 0 HD3 PRO A 10 -0.252 -3.981 3.062 1.00 70.44 H new ATOM 163 N CYS A 11 -3.443 -1.079 1.824 1.00 63.11 N ATOM 164 CA CYS A 11 -4.152 -0.203 0.924 1.00 62.44 C ATOM 165 C CYS A 11 -4.198 -0.851 -0.437 1.00 45.15 C ATOM 166 O CYS A 11 -3.154 -1.247 -0.982 1.00 23.24 O ATOM 167 CB CYS A 11 -3.457 1.145 0.822 1.00 72.02 C ATOM 168 SG CYS A 11 -3.217 1.996 2.408 1.00 0.40 S ATOM 0 H CYS A 11 -2.497 -1.313 1.524 1.00 63.11 H new ATOM 0 HA CYS A 11 -5.160 -0.038 1.303 1.00 62.44 H new ATOM 0 HB2 CYS A 11 -2.485 1.003 0.351 1.00 72.02 H new ATOM 0 HB3 CYS A 11 -4.039 1.790 0.163 1.00 72.02 H new ATOM 173 N ARG A 12 -5.381 -0.979 -0.984 1.00 55.14 N ATOM 174 CA ARG A 12 -5.554 -1.602 -2.280 1.00 40.25 C ATOM 175 C ARG A 12 -5.545 -0.530 -3.347 1.00 45.31 C ATOM 176 O ARG A 12 -5.357 -0.804 -4.534 1.00 32.11 O ATOM 177 CB ARG A 12 -6.874 -2.358 -2.329 1.00 1.02 C ATOM 178 CG ARG A 12 -7.056 -3.340 -1.193 1.00 33.53 C ATOM 179 CD ARG A 12 -8.366 -4.067 -1.309 1.00 11.21 C ATOM 180 NE ARG A 12 -8.626 -4.902 -0.145 1.00 43.34 N ATOM 181 CZ ARG A 12 -9.791 -5.482 0.118 1.00 64.21 C ATOM 182 NH1 ARG A 12 -10.758 -5.492 -0.805 1.00 75.52 N ATOM 183 NH2 ARG A 12 -9.978 -6.084 1.288 1.00 74.24 N ATOM 0 H ARG A 12 -6.247 -0.658 -0.551 1.00 55.14 H new ATOM 0 HA ARG A 12 -4.740 -2.306 -2.452 1.00 40.25 H new ATOM 0 HB2 ARG A 12 -7.694 -1.640 -2.312 1.00 1.02 H new ATOM 0 HB3 ARG A 12 -6.940 -2.895 -3.275 1.00 1.02 H new ATOM 0 HG2 ARG A 12 -6.237 -4.059 -1.195 1.00 33.53 H new ATOM 0 HG3 ARG A 12 -7.014 -2.811 -0.241 1.00 33.53 H new ATOM 0 HD2 ARG A 12 -9.174 -3.344 -1.426 1.00 11.21 H new ATOM 0 HD3 ARG A 12 -8.360 -4.686 -2.206 1.00 11.21 H new ATOM 0 HE ARG A 12 -7.861 -5.052 0.513 1.00 43.34 H new ATOM 0 HH11 ARG A 12 -10.601 -5.054 -1.713 1.00 75.52 H new ATOM 0 HH12 ARG A 12 -11.653 -5.938 -0.602 1.00 75.52 H new ATOM 0 HH21 ARG A 12 -9.228 -6.099 1.979 1.00 74.24 H new ATOM 0 HH22 ARG A 12 -10.871 -6.531 1.495 1.00 74.24 H new ATOM 197 N PHE A 13 -5.753 0.688 -2.914 1.00 64.05 N ATOM 198 CA PHE A 13 -5.791 1.826 -3.783 1.00 22.02 C ATOM 199 C PHE A 13 -4.885 2.888 -3.209 1.00 45.22 C ATOM 200 O PHE A 13 -4.618 2.891 -2.003 1.00 44.12 O ATOM 201 CB PHE A 13 -7.225 2.372 -3.894 1.00 72.43 C ATOM 202 CG PHE A 13 -8.237 1.370 -4.380 1.00 15.11 C ATOM 203 CD1 PHE A 13 -8.387 1.117 -5.728 1.00 41.55 C ATOM 204 CD2 PHE A 13 -9.035 0.680 -3.477 1.00 54.33 C ATOM 205 CE1 PHE A 13 -9.312 0.196 -6.170 1.00 12.04 C ATOM 206 CE2 PHE A 13 -9.963 -0.240 -3.916 1.00 62.01 C ATOM 207 CZ PHE A 13 -10.100 -0.483 -5.264 1.00 43.44 C ATOM 0 H PHE A 13 -5.903 0.915 -1.931 1.00 64.05 H new ATOM 0 HA PHE A 13 -5.458 1.538 -4.780 1.00 22.02 H new ATOM 0 HB2 PHE A 13 -7.537 2.740 -2.917 1.00 72.43 H new ATOM 0 HB3 PHE A 13 -7.224 3.226 -4.571 1.00 72.43 H new ATOM 0 HD1 PHE A 13 -7.774 1.645 -6.443 1.00 41.55 H new ATOM 0 HD2 PHE A 13 -8.927 0.866 -2.419 1.00 54.33 H new ATOM 0 HE1 PHE A 13 -9.420 0.006 -7.228 1.00 12.04 H new ATOM 0 HE2 PHE A 13 -10.580 -0.768 -3.205 1.00 62.01 H new ATOM 0 HZ PHE A 13 -10.824 -1.205 -5.612 1.00 43.44 H new ATOM 217 N PHE A 14 -4.396 3.758 -4.048 1.00 41.12 N ATOM 218 CA PHE A 14 -3.531 4.822 -3.602 1.00 24.22 C ATOM 219 C PHE A 14 -4.125 6.137 -3.979 1.00 33.22 C ATOM 220 O PHE A 14 -4.765 6.240 -5.035 1.00 22.23 O ATOM 221 CB PHE A 14 -2.170 4.751 -4.288 1.00 10.11 C ATOM 222 CG PHE A 14 -1.449 3.458 -4.172 1.00 31.02 C ATOM 223 CD1 PHE A 14 -1.134 2.926 -2.940 1.00 74.34 C ATOM 224 CD2 PHE A 14 -1.056 2.787 -5.308 1.00 55.23 C ATOM 225 CE1 PHE A 14 -0.444 1.746 -2.846 1.00 63.44 C ATOM 226 CE2 PHE A 14 -0.370 1.612 -5.226 1.00 21.24 C ATOM 227 CZ PHE A 14 -0.059 1.083 -3.995 1.00 75.35 C ATOM 0 H PHE A 14 -4.581 3.753 -5.051 1.00 41.12 H new ATOM 0 HA PHE A 14 -3.418 4.718 -2.523 1.00 24.22 H new ATOM 0 HB2 PHE A 14 -2.307 4.974 -5.346 1.00 10.11 H new ATOM 0 HB3 PHE A 14 -1.536 5.536 -3.876 1.00 10.11 H new ATOM 0 HD1 PHE A 14 -1.434 3.444 -2.041 1.00 74.34 H new ATOM 0 HD2 PHE A 14 -1.295 3.197 -6.278 1.00 55.23 H new ATOM 0 HE1 PHE A 14 -0.202 1.336 -1.877 1.00 63.44 H new ATOM 0 HE2 PHE A 14 -0.071 1.097 -6.127 1.00 21.24 H new ATOM 0 HZ PHE A 14 0.484 0.152 -3.927 1.00 75.35 H new ATOM 237 N GLU A 15 -3.930 7.145 -3.165 1.00 65.53 N ATOM 238 CA GLU A 15 -4.320 8.459 -3.597 1.00 42.23 C ATOM 239 C GLU A 15 -3.187 9.136 -4.321 1.00 63.13 C ATOM 240 O GLU A 15 -2.245 9.639 -3.717 1.00 54.42 O ATOM 241 CB GLU A 15 -4.965 9.348 -2.537 1.00 72.21 C ATOM 242 CG GLU A 15 -6.333 8.875 -2.149 1.00 53.44 C ATOM 243 CD GLU A 15 -7.105 9.823 -1.256 1.00 53.21 C ATOM 244 OE1 GLU A 15 -7.508 10.922 -1.742 1.00 23.11 O ATOM 245 OE2 GLU A 15 -7.371 9.484 -0.087 1.00 61.44 O ATOM 0 H GLU A 15 -3.519 7.085 -2.233 1.00 65.53 H new ATOM 0 HA GLU A 15 -5.140 8.298 -4.298 1.00 42.23 H new ATOM 0 HB2 GLU A 15 -4.328 9.374 -1.653 1.00 72.21 H new ATOM 0 HB3 GLU A 15 -5.030 10.369 -2.914 1.00 72.21 H new ATOM 0 HG2 GLU A 15 -6.912 8.700 -3.056 1.00 53.44 H new ATOM 0 HG3 GLU A 15 -6.239 7.915 -1.641 1.00 53.44 H new ATOM 252 N SER A 16 -3.266 9.108 -5.629 1.00 62.45 N ATOM 253 CA SER A 16 -2.243 9.656 -6.473 1.00 3.12 C ATOM 254 C SER A 16 -2.427 11.159 -6.621 1.00 64.00 C ATOM 255 O SER A 16 -1.487 11.892 -6.923 1.00 61.40 O ATOM 256 CB SER A 16 -2.296 8.960 -7.827 1.00 33.11 C ATOM 257 OG SER A 16 -3.595 9.085 -8.401 1.00 35.25 O ATOM 0 H SER A 16 -4.050 8.700 -6.138 1.00 62.45 H new ATOM 0 HA SER A 16 -1.264 9.488 -6.024 1.00 3.12 H new ATOM 0 HB2 SER A 16 -1.553 9.395 -8.496 1.00 33.11 H new ATOM 0 HB3 SER A 16 -2.043 7.906 -7.711 1.00 33.11 H new ATOM 0 HG SER A 16 -3.613 8.634 -9.271 1.00 35.25 H new ATOM 263 N HIS A 17 -3.636 11.617 -6.352 1.00 55.11 N ATOM 264 CA HIS A 17 -3.968 13.029 -6.462 1.00 33.10 C ATOM 265 C HIS A 17 -3.605 13.789 -5.194 1.00 71.12 C ATOM 266 O HIS A 17 -4.072 14.904 -4.968 1.00 14.14 O ATOM 267 CB HIS A 17 -5.443 13.232 -6.816 1.00 15.31 C ATOM 268 CG HIS A 17 -5.791 12.791 -8.202 1.00 10.44 C ATOM 269 ND1 HIS A 17 -5.541 13.561 -9.306 1.00 63.41 N ATOM 270 CD2 HIS A 17 -6.365 11.656 -8.668 1.00 12.42 C ATOM 271 CE1 HIS A 17 -5.935 12.934 -10.382 1.00 20.21 C ATOM 272 NE2 HIS A 17 -6.443 11.774 -10.027 1.00 12.13 N ATOM 0 H HIS A 17 -4.412 11.027 -6.053 1.00 55.11 H new ATOM 0 HA HIS A 17 -3.370 13.437 -7.277 1.00 33.10 H new ATOM 0 HB2 HIS A 17 -6.058 12.683 -6.103 1.00 15.31 H new ATOM 0 HB3 HIS A 17 -5.693 14.287 -6.706 1.00 15.31 H new ATOM 0 HD2 HIS A 17 -6.698 10.816 -8.077 1.00 12.42 H new ATOM 0 HE1 HIS A 17 -5.857 13.306 -11.393 1.00 20.21 H new ATOM 0 HE2 HIS A 17 -6.832 11.077 -10.662 1.00 12.13 H new ATOM 281 N VAL A 18 -2.733 13.206 -4.414 1.00 30.51 N ATOM 282 CA VAL A 18 -2.258 13.809 -3.204 1.00 50.25 C ATOM 283 C VAL A 18 -0.977 14.570 -3.512 1.00 14.52 C ATOM 284 O VAL A 18 -0.063 14.045 -4.174 1.00 5.01 O ATOM 285 CB VAL A 18 -2.003 12.739 -2.095 1.00 33.51 C ATOM 286 CG1 VAL A 18 -1.371 13.369 -0.867 1.00 71.45 C ATOM 287 CG2 VAL A 18 -3.315 12.047 -1.707 1.00 20.24 C ATOM 0 H VAL A 18 -2.330 12.289 -4.606 1.00 30.51 H new ATOM 0 HA VAL A 18 -3.018 14.492 -2.824 1.00 50.25 H new ATOM 0 HB VAL A 18 -1.314 11.997 -2.498 1.00 33.51 H new ATOM 0 HG11 VAL A 18 -1.204 12.603 -0.110 1.00 71.45 H new ATOM 0 HG12 VAL A 18 -0.418 13.823 -1.140 1.00 71.45 H new ATOM 0 HG13 VAL A 18 -2.036 14.135 -0.468 1.00 71.45 H new ATOM 0 HG21 VAL A 18 -3.120 11.304 -0.933 1.00 20.24 H new ATOM 0 HG22 VAL A 18 -4.019 12.788 -1.329 1.00 20.24 H new ATOM 0 HG23 VAL A 18 -3.740 11.556 -2.582 1.00 20.24 H new ATOM 297 N ALA A 19 -0.936 15.804 -3.078 1.00 15.13 N ATOM 298 CA ALA A 19 0.185 16.677 -3.326 1.00 61.34 C ATOM 299 C ALA A 19 1.014 16.835 -2.065 1.00 5.14 C ATOM 300 O ALA A 19 0.484 16.726 -0.960 1.00 42.03 O ATOM 301 CB ALA A 19 -0.326 18.030 -3.790 1.00 23.31 C ATOM 0 H ALA A 19 -1.686 16.236 -2.538 1.00 15.13 H new ATOM 0 HA ALA A 19 0.816 16.244 -4.102 1.00 61.34 H new ATOM 0 HB1 ALA A 19 0.519 18.693 -3.978 1.00 23.31 H new ATOM 0 HB2 ALA A 19 -0.902 17.906 -4.707 1.00 23.31 H new ATOM 0 HB3 ALA A 19 -0.962 18.463 -3.018 1.00 23.31 H new ATOM 307 N ARG A 20 2.307 17.109 -2.234 1.00 73.30 N ATOM 308 CA ARG A 20 3.245 17.272 -1.119 1.00 53.30 C ATOM 309 C ARG A 20 2.767 18.369 -0.137 1.00 33.22 C ATOM 310 O ARG A 20 2.961 18.263 1.074 1.00 52.13 O ATOM 311 CB ARG A 20 4.634 17.647 -1.660 1.00 4.14 C ATOM 312 CG ARG A 20 5.705 17.840 -0.591 1.00 45.45 C ATOM 313 CD ARG A 20 6.044 16.549 0.125 1.00 24.43 C ATOM 314 NE ARG A 20 7.012 16.772 1.214 1.00 44.20 N ATOM 315 CZ ARG A 20 8.209 16.168 1.343 1.00 61.34 C ATOM 316 NH1 ARG A 20 8.651 15.343 0.403 1.00 61.53 N ATOM 317 NH2 ARG A 20 8.979 16.425 2.404 1.00 63.04 N ATOM 0 H ARG A 20 2.737 17.225 -3.151 1.00 73.30 H new ATOM 0 HA ARG A 20 3.296 16.325 -0.581 1.00 53.30 H new ATOM 0 HB2 ARG A 20 4.963 16.868 -2.348 1.00 4.14 H new ATOM 0 HB3 ARG A 20 4.547 18.567 -2.238 1.00 4.14 H new ATOM 0 HG2 ARG A 20 6.606 18.244 -1.052 1.00 45.45 H new ATOM 0 HG3 ARG A 20 5.361 18.576 0.136 1.00 45.45 H new ATOM 0 HD2 ARG A 20 5.134 16.107 0.531 1.00 24.43 H new ATOM 0 HD3 ARG A 20 6.455 15.834 -0.588 1.00 24.43 H new ATOM 0 HE ARG A 20 6.752 17.445 1.935 1.00 44.20 H new ATOM 0 HH11 ARG A 20 8.083 15.162 -0.425 1.00 61.53 H new ATOM 0 HH12 ARG A 20 9.559 14.890 0.508 1.00 61.53 H new ATOM 0 HH21 ARG A 20 8.661 17.080 3.118 1.00 63.04 H new ATOM 0 HH22 ARG A 20 9.885 15.966 2.500 1.00 63.04 H new ATOM 331 N ALA A 21 2.114 19.394 -0.678 1.00 42.51 N ATOM 332 CA ALA A 21 1.622 20.535 0.109 1.00 33.02 C ATOM 333 C ALA A 21 0.453 20.162 1.005 1.00 12.14 C ATOM 334 O ALA A 21 0.016 20.955 1.849 1.00 44.21 O ATOM 335 CB ALA A 21 1.213 21.654 -0.804 1.00 13.11 C ATOM 0 H ALA A 21 1.908 19.463 -1.675 1.00 42.51 H new ATOM 0 HA ALA A 21 2.443 20.855 0.751 1.00 33.02 H new ATOM 0 HB1 ALA A 21 0.850 22.493 -0.211 1.00 13.11 H new ATOM 0 HB2 ALA A 21 2.071 21.972 -1.397 1.00 13.11 H new ATOM 0 HB3 ALA A 21 0.420 21.310 -1.469 1.00 13.11 H new ATOM 341 N ASN A 22 -0.067 18.995 0.812 1.00 72.32 N ATOM 342 CA ASN A 22 -1.163 18.514 1.611 1.00 12.24 C ATOM 343 C ASN A 22 -0.663 17.344 2.442 1.00 3.22 C ATOM 344 O ASN A 22 -1.412 16.661 3.114 1.00 1.40 O ATOM 345 CB ASN A 22 -2.341 18.130 0.690 1.00 64.22 C ATOM 346 CG ASN A 22 -3.605 17.672 1.414 1.00 71.03 C ATOM 347 OD1 ASN A 22 -3.891 18.069 2.562 1.00 3.33 O ATOM 348 ND2 ASN A 22 -4.388 16.870 0.738 1.00 43.11 N ATOM 0 H ASN A 22 0.251 18.341 0.097 1.00 72.32 H new ATOM 0 HA ASN A 22 -1.531 19.283 2.291 1.00 12.24 H new ATOM 0 HB2 ASN A 22 -2.589 18.988 0.066 1.00 64.22 H new ATOM 0 HB3 ASN A 22 -2.015 17.333 0.021 1.00 64.22 H new ATOM 0 HD21 ASN A 22 -5.265 16.549 1.148 1.00 43.11 H new ATOM 0 HD22 ASN A 22 -4.121 16.566 -0.198 1.00 43.11 H new ATOM 355 N VAL A 23 0.642 17.160 2.422 1.00 1.05 N ATOM 356 CA VAL A 23 1.266 16.097 3.179 1.00 10.51 C ATOM 357 C VAL A 23 1.919 16.623 4.447 1.00 52.42 C ATOM 358 O VAL A 23 2.833 17.457 4.412 1.00 12.00 O ATOM 359 CB VAL A 23 2.284 15.287 2.347 1.00 71.11 C ATOM 360 CG1 VAL A 23 3.030 14.290 3.214 1.00 41.33 C ATOM 361 CG2 VAL A 23 1.595 14.584 1.187 1.00 2.11 C ATOM 0 H VAL A 23 1.292 17.736 1.887 1.00 1.05 H new ATOM 0 HA VAL A 23 0.462 15.416 3.458 1.00 10.51 H new ATOM 0 HB VAL A 23 3.013 15.986 1.938 1.00 71.11 H new ATOM 0 HG11 VAL A 23 3.740 13.734 2.601 1.00 41.33 H new ATOM 0 HG12 VAL A 23 3.567 14.821 4.000 1.00 41.33 H new ATOM 0 HG13 VAL A 23 2.320 13.597 3.665 1.00 41.33 H new ATOM 0 HG21 VAL A 23 2.331 14.020 0.615 1.00 2.11 H new ATOM 0 HG22 VAL A 23 0.836 13.904 1.573 1.00 2.11 H new ATOM 0 HG23 VAL A 23 1.123 15.325 0.541 1.00 2.11 H new ATOM 371 N LYS A 24 1.416 16.149 5.549 1.00 35.20 N ATOM 372 CA LYS A 24 1.891 16.478 6.855 1.00 72.41 C ATOM 373 C LYS A 24 3.084 15.590 7.181 1.00 33.45 C ATOM 374 O LYS A 24 4.166 16.049 7.517 1.00 72.44 O ATOM 375 CB LYS A 24 0.819 16.124 7.875 1.00 10.43 C ATOM 376 CG LYS A 24 1.110 16.693 9.220 1.00 70.40 C ATOM 377 CD LYS A 24 0.554 18.068 9.309 1.00 33.20 C ATOM 378 CE LYS A 24 -0.901 18.017 9.740 1.00 34.35 C ATOM 379 NZ LYS A 24 -1.051 17.423 11.098 1.00 45.23 N ATOM 0 H LYS A 24 0.632 15.497 5.559 1.00 35.20 H new ATOM 0 HA LYS A 24 2.148 17.537 6.885 1.00 72.41 H new ATOM 0 HB2 LYS A 24 -0.146 16.493 7.528 1.00 10.43 H new ATOM 0 HB3 LYS A 24 0.737 15.040 7.951 1.00 10.43 H new ATOM 0 HG2 LYS A 24 0.674 16.063 9.995 1.00 70.40 H new ATOM 0 HG3 LYS A 24 2.186 16.713 9.393 1.00 70.40 H new ATOM 0 HD2 LYS A 24 1.132 18.657 10.022 1.00 33.20 H new ATOM 0 HD3 LYS A 24 0.638 18.565 8.343 1.00 33.20 H new ATOM 0 HE2 LYS A 24 -1.318 19.024 9.735 1.00 34.35 H new ATOM 0 HE3 LYS A 24 -1.474 17.431 9.021 1.00 34.35 H new ATOM 0 HZ1 LYS A 24 -1.874 17.846 11.573 1.00 45.23 H new ATOM 0 HZ2 LYS A 24 -1.190 16.396 11.014 1.00 45.23 H new ATOM 0 HZ3 LYS A 24 -0.194 17.612 11.656 1.00 45.23 H new ATOM 393 N HIS A 25 2.840 14.320 7.061 1.00 32.41 N ATOM 394 CA HIS A 25 3.763 13.278 7.425 1.00 54.32 C ATOM 395 C HIS A 25 3.938 12.369 6.241 1.00 14.35 C ATOM 396 O HIS A 25 2.957 12.030 5.605 1.00 51.42 O ATOM 397 CB HIS A 25 3.145 12.502 8.610 1.00 64.41 C ATOM 398 CG HIS A 25 3.879 11.270 9.050 1.00 71.34 C ATOM 399 ND1 HIS A 25 4.647 11.213 10.183 1.00 23.12 N ATOM 400 CD2 HIS A 25 3.893 10.025 8.523 1.00 35.43 C ATOM 401 CE1 HIS A 25 5.101 9.989 10.342 1.00 34.43 C ATOM 402 NE2 HIS A 25 4.659 9.245 9.348 1.00 52.35 N ATOM 0 H HIS A 25 1.958 13.963 6.693 1.00 32.41 H new ATOM 0 HA HIS A 25 4.734 13.680 7.713 1.00 54.32 H new ATOM 0 HB2 HIS A 25 3.071 13.179 9.461 1.00 64.41 H new ATOM 0 HB3 HIS A 25 2.128 12.217 8.340 1.00 64.41 H new ATOM 0 HD1 HIS A 25 4.837 11.998 10.806 1.00 23.12 H new ATOM 0 HD2 HIS A 25 3.394 9.705 7.620 1.00 35.43 H new ATOM 0 HE1 HIS A 25 5.731 9.650 11.152 1.00 34.43 H new ATOM 411 N LEU A 26 5.155 11.979 5.957 1.00 60.23 N ATOM 412 CA LEU A 26 5.432 11.109 4.835 1.00 2.22 C ATOM 413 C LEU A 26 6.322 9.941 5.302 1.00 43.32 C ATOM 414 O LEU A 26 7.490 10.129 5.610 1.00 3.15 O ATOM 415 CB LEU A 26 6.111 11.939 3.737 1.00 0.54 C ATOM 416 CG LEU A 26 6.372 11.269 2.391 1.00 11.33 C ATOM 417 CD1 LEU A 26 5.077 10.787 1.775 1.00 22.12 C ATOM 418 CD2 LEU A 26 7.039 12.258 1.462 1.00 54.22 C ATOM 0 H LEU A 26 5.980 12.252 6.492 1.00 60.23 H new ATOM 0 HA LEU A 26 4.513 10.683 4.432 1.00 2.22 H new ATOM 0 HB2 LEU A 26 5.497 12.821 3.557 1.00 0.54 H new ATOM 0 HB3 LEU A 26 7.067 12.290 4.126 1.00 0.54 H new ATOM 0 HG LEU A 26 7.023 10.409 2.546 1.00 11.33 H new ATOM 0 HD11 LEU A 26 5.285 10.312 0.816 1.00 22.12 H new ATOM 0 HD12 LEU A 26 4.603 10.066 2.441 1.00 22.12 H new ATOM 0 HD13 LEU A 26 4.409 11.635 1.623 1.00 22.12 H new ATOM 0 HD21 LEU A 26 7.227 11.783 0.499 1.00 54.22 H new ATOM 0 HD22 LEU A 26 6.388 13.120 1.320 1.00 54.22 H new ATOM 0 HD23 LEU A 26 7.984 12.585 1.896 1.00 54.22 H new ATOM 430 N LYS A 27 5.740 8.760 5.358 1.00 65.13 N ATOM 431 CA LYS A 27 6.372 7.571 5.856 1.00 20.14 C ATOM 432 C LYS A 27 6.379 6.526 4.751 1.00 74.14 C ATOM 433 O LYS A 27 5.420 6.419 4.025 1.00 73.40 O ATOM 434 CB LYS A 27 5.519 7.039 7.017 1.00 23.15 C ATOM 435 CG LYS A 27 6.089 5.837 7.699 1.00 73.31 C ATOM 436 CD LYS A 27 7.447 6.130 8.271 1.00 63.55 C ATOM 437 CE LYS A 27 8.037 4.886 8.807 1.00 0.13 C ATOM 438 NZ LYS A 27 9.412 5.078 9.304 1.00 34.32 N ATOM 0 H LYS A 27 4.782 8.604 5.046 1.00 65.13 H new ATOM 0 HA LYS A 27 7.390 7.782 6.182 1.00 20.14 H new ATOM 0 HB2 LYS A 27 5.392 7.833 7.753 1.00 23.15 H new ATOM 0 HB3 LYS A 27 4.527 6.792 6.640 1.00 23.15 H new ATOM 0 HG2 LYS A 27 5.418 5.515 8.495 1.00 73.31 H new ATOM 0 HG3 LYS A 27 6.160 5.013 6.989 1.00 73.31 H new ATOM 0 HD2 LYS A 27 8.095 6.549 7.501 1.00 63.55 H new ATOM 0 HD3 LYS A 27 7.367 6.876 9.061 1.00 63.55 H new ATOM 0 HE2 LYS A 27 7.411 4.511 9.617 1.00 0.13 H new ATOM 0 HE3 LYS A 27 8.040 4.124 8.027 1.00 0.13 H new ATOM 0 HZ1 LYS A 27 9.779 4.176 9.669 1.00 34.32 H new ATOM 0 HZ2 LYS A 27 10.019 5.410 8.527 1.00 34.32 H new ATOM 0 HZ3 LYS A 27 9.410 5.784 10.067 1.00 34.32 H new ATOM 452 N ILE A 28 7.429 5.754 4.622 1.00 4.11 N ATOM 453 CA ILE A 28 7.433 4.739 3.587 1.00 75.12 C ATOM 454 C ILE A 28 7.122 3.382 4.201 1.00 33.12 C ATOM 455 O ILE A 28 7.628 3.047 5.283 1.00 34.45 O ATOM 456 CB ILE A 28 8.768 4.685 2.814 1.00 53.43 C ATOM 457 CG1 ILE A 28 9.151 6.087 2.416 1.00 24.44 C ATOM 458 CG2 ILE A 28 8.599 3.874 1.545 1.00 73.11 C ATOM 459 CD1 ILE A 28 10.328 6.159 1.492 1.00 42.33 C ATOM 0 H ILE A 28 8.269 5.801 5.198 1.00 4.11 H new ATOM 0 HA ILE A 28 6.662 5.005 2.864 1.00 75.12 H new ATOM 0 HB ILE A 28 9.530 4.231 3.448 1.00 53.43 H new ATOM 0 HG12 ILE A 28 8.296 6.564 1.936 1.00 24.44 H new ATOM 0 HG13 ILE A 28 9.373 6.661 3.316 1.00 24.44 H new ATOM 0 HG21 ILE A 28 9.546 3.841 1.006 1.00 73.11 H new ATOM 0 HG22 ILE A 28 8.291 2.860 1.800 1.00 73.11 H new ATOM 0 HG23 ILE A 28 7.839 4.337 0.916 1.00 73.11 H new ATOM 0 HD11 ILE A 28 10.540 7.201 1.253 1.00 42.33 H new ATOM 0 HD12 ILE A 28 11.198 5.714 1.975 1.00 42.33 H new ATOM 0 HD13 ILE A 28 10.104 5.615 0.575 1.00 42.33 H new ATOM 471 N LEU A 29 6.294 2.620 3.535 1.00 62.12 N ATOM 472 CA LEU A 29 5.861 1.338 4.020 1.00 20.44 C ATOM 473 C LEU A 29 6.349 0.221 3.102 1.00 63.44 C ATOM 474 O LEU A 29 6.221 0.298 1.874 1.00 63.10 O ATOM 475 CB LEU A 29 4.325 1.314 4.098 1.00 64.23 C ATOM 476 CG LEU A 29 3.674 0.011 4.575 1.00 1.00 C ATOM 477 CD1 LEU A 29 4.075 -0.310 6.007 1.00 41.11 C ATOM 478 CD2 LEU A 29 2.162 0.094 4.440 1.00 74.01 C ATOM 0 H LEU A 29 5.898 2.876 2.631 1.00 62.12 H new ATOM 0 HA LEU A 29 6.283 1.177 5.012 1.00 20.44 H new ATOM 0 HB2 LEU A 29 4.007 2.116 4.764 1.00 64.23 H new ATOM 0 HB3 LEU A 29 3.932 1.547 3.109 1.00 64.23 H new ATOM 0 HG LEU A 29 4.032 -0.801 3.942 1.00 1.00 H new ATOM 0 HD11 LEU A 29 3.598 -1.239 6.319 1.00 41.11 H new ATOM 0 HD12 LEU A 29 5.158 -0.420 6.066 1.00 41.11 H new ATOM 0 HD13 LEU A 29 3.756 0.499 6.664 1.00 41.11 H new ATOM 0 HD21 LEU A 29 1.714 -0.839 4.783 1.00 74.01 H new ATOM 0 HD22 LEU A 29 1.788 0.920 5.045 1.00 74.01 H new ATOM 0 HD23 LEU A 29 1.899 0.261 3.396 1.00 74.01 H new ATOM 490 N ASN A 30 6.907 -0.797 3.695 1.00 73.32 N ATOM 491 CA ASN A 30 7.346 -1.965 2.968 1.00 42.55 C ATOM 492 C ASN A 30 6.714 -3.190 3.587 1.00 75.31 C ATOM 493 O ASN A 30 6.542 -3.262 4.807 1.00 41.34 O ATOM 494 CB ASN A 30 8.891 -2.095 2.927 1.00 64.41 C ATOM 495 CG ASN A 30 9.548 -2.183 4.297 1.00 42.22 C ATOM 496 OD1 ASN A 30 9.696 -3.262 4.861 1.00 44.43 O ATOM 497 ND2 ASN A 30 9.996 -1.062 4.815 1.00 30.41 N ATOM 0 H ASN A 30 7.073 -0.845 4.700 1.00 73.32 H new ATOM 0 HA ASN A 30 7.026 -1.865 1.931 1.00 42.55 H new ATOM 0 HB2 ASN A 30 9.154 -2.983 2.353 1.00 64.41 H new ATOM 0 HB3 ASN A 30 9.302 -1.238 2.394 1.00 64.41 H new ATOM 0 HD21 ASN A 30 10.483 -1.073 5.711 1.00 30.41 H new ATOM 0 HD22 ASN A 30 9.857 -0.181 4.321 1.00 30.41 H new ATOM 504 N THR A 31 6.310 -4.121 2.767 1.00 22.23 N ATOM 505 CA THR A 31 5.680 -5.328 3.247 1.00 52.04 C ATOM 506 C THR A 31 6.067 -6.492 2.321 1.00 51.43 C ATOM 507 O THR A 31 6.048 -6.332 1.109 1.00 11.32 O ATOM 508 CB THR A 31 4.127 -5.135 3.298 1.00 41.20 C ATOM 509 OG1 THR A 31 3.824 -4.013 4.149 1.00 33.33 O ATOM 510 CG2 THR A 31 3.413 -6.371 3.836 1.00 73.10 C ATOM 0 H THR A 31 6.406 -4.069 1.753 1.00 22.23 H new ATOM 0 HA THR A 31 6.020 -5.554 4.258 1.00 52.04 H new ATOM 0 HB THR A 31 3.777 -4.962 2.280 1.00 41.20 H new ATOM 0 HG1 THR A 31 2.853 -3.883 4.186 1.00 33.33 H new ATOM 0 HG21 THR A 31 2.338 -6.191 3.853 1.00 73.10 H new ATOM 0 HG22 THR A 31 3.628 -7.224 3.193 1.00 73.10 H new ATOM 0 HG23 THR A 31 3.762 -6.582 4.847 1.00 73.10 H new ATOM 518 N PRO A 32 6.448 -7.669 2.888 1.00 42.01 N ATOM 519 CA PRO A 32 6.913 -8.854 2.111 1.00 11.14 C ATOM 520 C PRO A 32 5.937 -9.317 1.027 1.00 34.32 C ATOM 521 O PRO A 32 6.334 -9.932 0.048 1.00 14.43 O ATOM 522 CB PRO A 32 7.038 -9.939 3.181 1.00 33.04 C ATOM 523 CG PRO A 32 7.297 -9.194 4.435 1.00 60.43 C ATOM 524 CD PRO A 32 6.487 -7.943 4.342 1.00 71.13 C ATOM 0 HA PRO A 32 7.830 -8.624 1.569 1.00 11.14 H new ATOM 0 HB2 PRO A 32 6.127 -10.533 3.253 1.00 33.04 H new ATOM 0 HB3 PRO A 32 7.851 -10.629 2.954 1.00 33.04 H new ATOM 0 HG2 PRO A 32 7.008 -9.783 5.306 1.00 60.43 H new ATOM 0 HG3 PRO A 32 8.357 -8.966 4.542 1.00 60.43 H new ATOM 0 HD2 PRO A 32 5.487 -8.080 4.752 1.00 71.13 H new ATOM 0 HD3 PRO A 32 6.948 -7.124 4.893 1.00 71.13 H new ATOM 532 N ASN A 33 4.674 -9.019 1.204 1.00 51.24 N ATOM 533 CA ASN A 33 3.657 -9.446 0.250 1.00 72.43 C ATOM 534 C ASN A 33 3.223 -8.294 -0.632 1.00 10.35 C ATOM 535 O ASN A 33 2.231 -8.388 -1.356 1.00 74.32 O ATOM 536 CB ASN A 33 2.444 -10.039 0.981 1.00 33.03 C ATOM 537 CG ASN A 33 2.770 -11.287 1.796 1.00 43.43 C ATOM 538 OD1 ASN A 33 2.152 -11.542 2.823 1.00 52.22 O ATOM 539 ND2 ASN A 33 3.726 -12.079 1.346 1.00 11.12 N ATOM 0 H ASN A 33 4.317 -8.484 1.995 1.00 51.24 H new ATOM 0 HA ASN A 33 4.095 -10.217 -0.383 1.00 72.43 H new ATOM 0 HB2 ASN A 33 2.024 -9.282 1.644 1.00 33.03 H new ATOM 0 HB3 ASN A 33 1.674 -10.284 0.249 1.00 33.03 H new ATOM 0 HD21 ASN A 33 3.967 -12.929 1.856 1.00 11.12 H new ATOM 0 HD22 ASN A 33 4.224 -11.841 0.488 1.00 11.12 H new ATOM 546 N CYS A 34 3.975 -7.226 -0.597 1.00 44.03 N ATOM 547 CA CYS A 34 3.663 -6.037 -1.358 1.00 15.34 C ATOM 548 C CYS A 34 4.905 -5.401 -1.900 1.00 31.24 C ATOM 549 O CYS A 34 6.021 -5.881 -1.675 1.00 62.33 O ATOM 550 CB CYS A 34 2.959 -5.010 -0.487 1.00 11.30 C ATOM 551 SG CYS A 34 1.330 -5.497 0.114 1.00 25.41 S ATOM 0 H CYS A 34 4.825 -7.152 -0.039 1.00 44.03 H new ATOM 0 HA CYS A 34 3.015 -6.347 -2.178 1.00 15.34 H new ATOM 0 HB2 CYS A 34 3.594 -4.789 0.371 1.00 11.30 H new ATOM 0 HB3 CYS A 34 2.857 -4.085 -1.055 1.00 11.30 H new ATOM 556 N ALA A 35 4.702 -4.329 -2.602 1.00 55.13 N ATOM 557 CA ALA A 35 5.748 -3.528 -3.130 1.00 32.20 C ATOM 558 C ALA A 35 5.912 -2.314 -2.245 1.00 23.34 C ATOM 559 O ALA A 35 5.318 -2.248 -1.152 1.00 73.41 O ATOM 560 CB ALA A 35 5.366 -3.087 -4.519 1.00 40.20 C ATOM 0 H ALA A 35 3.770 -3.981 -2.827 1.00 55.13 H new ATOM 0 HA ALA A 35 6.681 -4.090 -3.168 1.00 32.20 H new ATOM 0 HB1 ALA A 35 6.162 -2.470 -4.937 1.00 40.20 H new ATOM 0 HB2 ALA A 35 5.216 -3.963 -5.151 1.00 40.20 H new ATOM 0 HB3 ALA A 35 4.443 -2.509 -4.476 1.00 40.20 H new ATOM 566 N LEU A 36 6.705 -1.368 -2.689 1.00 63.12 N ATOM 567 CA LEU A 36 6.848 -0.143 -1.961 1.00 30.43 C ATOM 568 C LEU A 36 5.679 0.736 -2.116 1.00 71.34 C ATOM 569 O LEU A 36 5.191 0.990 -3.215 1.00 20.40 O ATOM 570 CB LEU A 36 8.158 0.595 -2.193 1.00 63.35 C ATOM 571 CG LEU A 36 9.364 0.077 -1.412 1.00 32.44 C ATOM 572 CD1 LEU A 36 9.105 0.166 0.090 1.00 62.51 C ATOM 573 CD2 LEU A 36 9.724 -1.337 -1.808 1.00 30.03 C ATOM 0 H LEU A 36 7.255 -1.428 -3.546 1.00 63.12 H new ATOM 0 HA LEU A 36 6.894 -0.453 -0.917 1.00 30.43 H new ATOM 0 HB2 LEU A 36 8.393 0.552 -3.257 1.00 63.35 H new ATOM 0 HB3 LEU A 36 8.010 1.645 -1.941 1.00 63.35 H new ATOM 0 HG LEU A 36 10.215 0.711 -1.660 1.00 32.44 H new ATOM 0 HD11 LEU A 36 9.974 -0.207 0.632 1.00 62.51 H new ATOM 0 HD12 LEU A 36 8.923 1.204 0.367 1.00 62.51 H new ATOM 0 HD13 LEU A 36 8.233 -0.436 0.345 1.00 62.51 H new ATOM 0 HD21 LEU A 36 10.587 -1.668 -1.230 1.00 30.03 H new ATOM 0 HD22 LEU A 36 8.879 -1.997 -1.610 1.00 30.03 H new ATOM 0 HD23 LEU A 36 9.966 -1.367 -2.870 1.00 30.03 H new ATOM 585 N GLN A 37 5.242 1.183 -1.006 1.00 63.43 N ATOM 586 CA GLN A 37 4.061 1.978 -0.863 1.00 51.13 C ATOM 587 C GLN A 37 4.318 3.033 0.160 1.00 21.25 C ATOM 588 O GLN A 37 4.908 2.762 1.190 1.00 10.22 O ATOM 589 CB GLN A 37 2.916 1.072 -0.472 1.00 55.43 C ATOM 590 CG GLN A 37 2.453 0.212 -1.644 1.00 44.53 C ATOM 591 CD GLN A 37 1.681 -0.995 -1.241 1.00 21.14 C ATOM 592 OE1 GLN A 37 0.776 -1.436 -1.939 1.00 3.15 O ATOM 593 NE2 GLN A 37 2.084 -1.597 -0.169 1.00 50.34 N ATOM 0 H GLN A 37 5.712 1.003 -0.119 1.00 63.43 H new ATOM 0 HA GLN A 37 3.795 2.473 -1.797 1.00 51.13 H new ATOM 0 HB2 GLN A 37 3.226 0.429 0.352 1.00 55.43 H new ATOM 0 HB3 GLN A 37 2.082 1.674 -0.110 1.00 55.43 H new ATOM 0 HG2 GLN A 37 1.837 0.820 -2.307 1.00 44.53 H new ATOM 0 HG3 GLN A 37 3.325 -0.102 -2.218 1.00 44.53 H new ATOM 0 HE21 GLN A 37 2.841 -1.198 0.386 1.00 50.34 H new ATOM 0 HE22 GLN A 37 1.645 -2.471 0.121 1.00 50.34 H new ATOM 602 N ILE A 38 3.921 4.228 -0.110 1.00 61.54 N ATOM 603 CA ILE A 38 4.263 5.304 0.772 1.00 10.24 C ATOM 604 C ILE A 38 3.028 5.828 1.459 1.00 55.24 C ATOM 605 O ILE A 38 1.972 5.845 0.887 1.00 40.53 O ATOM 606 CB ILE A 38 5.017 6.420 0.011 1.00 31.03 C ATOM 607 CG1 ILE A 38 6.134 5.761 -0.801 1.00 72.11 C ATOM 608 CG2 ILE A 38 5.599 7.436 0.982 1.00 12.55 C ATOM 609 CD1 ILE A 38 7.099 6.695 -1.437 1.00 31.42 C ATOM 0 H ILE A 38 3.365 4.490 -0.924 1.00 61.54 H new ATOM 0 HA ILE A 38 4.937 4.928 1.542 1.00 10.24 H new ATOM 0 HB ILE A 38 4.330 6.952 -0.648 1.00 31.03 H new ATOM 0 HG12 ILE A 38 6.686 5.086 -0.146 1.00 72.11 H new ATOM 0 HG13 ILE A 38 5.680 5.149 -1.580 1.00 72.11 H new ATOM 0 HG21 ILE A 38 6.125 8.212 0.425 1.00 12.55 H new ATOM 0 HG22 ILE A 38 4.794 7.888 1.562 1.00 12.55 H new ATOM 0 HG23 ILE A 38 6.296 6.938 1.656 1.00 12.55 H new ATOM 0 HD11 ILE A 38 7.848 6.125 -1.987 1.00 31.42 H new ATOM 0 HD12 ILE A 38 6.568 7.355 -2.124 1.00 31.42 H new ATOM 0 HD13 ILE A 38 7.589 7.291 -0.667 1.00 31.42 H new ATOM 621 N VAL A 39 3.169 6.207 2.682 1.00 45.13 N ATOM 622 CA VAL A 39 2.057 6.676 3.489 1.00 73.21 C ATOM 623 C VAL A 39 2.238 8.139 3.820 1.00 11.22 C ATOM 624 O VAL A 39 3.295 8.547 4.293 1.00 64.45 O ATOM 625 CB VAL A 39 1.950 5.856 4.813 1.00 50.13 C ATOM 626 CG1 VAL A 39 0.887 6.421 5.754 1.00 61.22 C ATOM 627 CG2 VAL A 39 1.679 4.388 4.522 1.00 54.04 C ATOM 0 H VAL A 39 4.064 6.206 3.171 1.00 45.13 H new ATOM 0 HA VAL A 39 1.140 6.541 2.915 1.00 73.21 H new ATOM 0 HB VAL A 39 2.912 5.940 5.319 1.00 50.13 H new ATOM 0 HG11 VAL A 39 0.848 5.819 6.662 1.00 61.22 H new ATOM 0 HG12 VAL A 39 1.139 7.450 6.011 1.00 61.22 H new ATOM 0 HG13 VAL A 39 -0.085 6.398 5.261 1.00 61.22 H new ATOM 0 HG21 VAL A 39 1.609 3.838 5.460 1.00 54.04 H new ATOM 0 HG22 VAL A 39 0.741 4.293 3.974 1.00 54.04 H new ATOM 0 HG23 VAL A 39 2.492 3.980 3.922 1.00 54.04 H new ATOM 637 N ALA A 40 1.228 8.920 3.587 1.00 24.14 N ATOM 638 CA ALA A 40 1.302 10.308 3.888 1.00 72.10 C ATOM 639 C ALA A 40 0.030 10.778 4.477 1.00 35.11 C ATOM 640 O ALA A 40 -1.036 10.283 4.144 1.00 20.30 O ATOM 641 CB ALA A 40 1.658 11.107 2.685 1.00 44.51 C ATOM 0 H ALA A 40 0.341 8.614 3.187 1.00 24.14 H new ATOM 0 HA ALA A 40 2.096 10.451 4.621 1.00 72.10 H new ATOM 0 HB1 ALA A 40 1.706 12.163 2.951 1.00 44.51 H new ATOM 0 HB2 ALA A 40 2.628 10.783 2.307 1.00 44.51 H new ATOM 0 HB3 ALA A 40 0.901 10.961 1.914 1.00 44.51 H new ATOM 647 N ARG A 41 0.130 11.722 5.348 1.00 12.43 N ATOM 648 CA ARG A 41 -1.019 12.202 6.033 1.00 10.13 C ATOM 649 C ARG A 41 -1.427 13.521 5.514 1.00 13.24 C ATOM 650 O ARG A 41 -0.604 14.414 5.359 1.00 0.42 O ATOM 651 CB ARG A 41 -0.768 12.259 7.502 1.00 72.30 C ATOM 652 CG ARG A 41 -1.995 12.527 8.332 1.00 61.51 C ATOM 653 CD ARG A 41 -1.648 12.271 9.748 1.00 34.03 C ATOM 654 NE ARG A 41 -2.725 12.539 10.705 1.00 13.11 N ATOM 655 CZ ARG A 41 -2.576 12.400 12.030 1.00 1.14 C ATOM 656 NH1 ARG A 41 -1.429 11.963 12.515 1.00 63.12 N ATOM 657 NH2 ARG A 41 -3.573 12.690 12.856 1.00 12.52 N ATOM 0 H ARG A 41 1.005 12.180 5.604 1.00 12.43 H new ATOM 0 HA ARG A 41 -1.839 11.506 5.856 1.00 10.13 H new ATOM 0 HB2 ARG A 41 -0.328 11.314 7.820 1.00 72.30 H new ATOM 0 HB3 ARG A 41 -0.031 13.037 7.703 1.00 72.30 H new ATOM 0 HG2 ARG A 41 -2.328 13.557 8.200 1.00 61.51 H new ATOM 0 HG3 ARG A 41 -2.817 11.884 8.018 1.00 61.51 H new ATOM 0 HD2 ARG A 41 -1.342 11.230 9.850 1.00 34.03 H new ATOM 0 HD3 ARG A 41 -0.786 12.884 10.012 1.00 34.03 H new ATOM 0 HE ARG A 41 -3.629 12.845 10.347 1.00 13.11 H new ATOM 0 HH11 ARG A 41 -0.662 11.733 11.883 1.00 63.12 H new ATOM 0 HH12 ARG A 41 -1.309 11.855 13.522 1.00 63.12 H new ATOM 0 HH21 ARG A 41 -4.463 13.022 12.484 1.00 12.52 H new ATOM 0 HH22 ARG A 41 -3.450 12.581 13.863 1.00 12.52 H new ATOM 671 N LEU A 42 -2.680 13.645 5.253 1.00 70.52 N ATOM 672 CA LEU A 42 -3.220 14.853 4.700 1.00 54.21 C ATOM 673 C LEU A 42 -3.342 15.931 5.760 1.00 62.13 C ATOM 674 O LEU A 42 -3.915 15.704 6.813 1.00 2.23 O ATOM 675 CB LEU A 42 -4.550 14.562 4.028 1.00 2.33 C ATOM 676 CG LEU A 42 -4.485 13.540 2.896 1.00 52.02 C ATOM 677 CD1 LEU A 42 -5.797 13.458 2.196 1.00 24.24 C ATOM 678 CD2 LEU A 42 -3.379 13.869 1.918 1.00 64.02 C ATOM 0 H LEU A 42 -3.370 12.912 5.415 1.00 70.52 H new ATOM 0 HA LEU A 42 -2.536 15.235 3.942 1.00 54.21 H new ATOM 0 HB2 LEU A 42 -5.251 14.204 4.782 1.00 2.33 H new ATOM 0 HB3 LEU A 42 -4.954 15.495 3.634 1.00 2.33 H new ATOM 0 HG LEU A 42 -4.260 12.568 3.334 1.00 52.02 H new ATOM 0 HD11 LEU A 42 -5.735 12.725 1.391 1.00 24.24 H new ATOM 0 HD12 LEU A 42 -6.569 13.155 2.904 1.00 24.24 H new ATOM 0 HD13 LEU A 42 -6.049 14.433 1.780 1.00 24.24 H new ATOM 0 HD21 LEU A 42 -3.360 13.122 1.125 1.00 64.02 H new ATOM 0 HD22 LEU A 42 -3.557 14.853 1.485 1.00 64.02 H new ATOM 0 HD23 LEU A 42 -2.421 13.869 2.438 1.00 64.02 H new ATOM 690 N LYS A 43 -2.781 17.088 5.477 1.00 52.05 N ATOM 691 CA LYS A 43 -2.784 18.211 6.415 1.00 13.43 C ATOM 692 C LYS A 43 -4.193 18.730 6.628 1.00 50.32 C ATOM 693 O LYS A 43 -4.600 19.035 7.756 1.00 21.33 O ATOM 694 CB LYS A 43 -1.896 19.354 5.885 1.00 14.41 C ATOM 695 CG LYS A 43 -0.479 18.926 5.568 1.00 12.04 C ATOM 696 CD LYS A 43 0.421 20.079 5.120 1.00 4.14 C ATOM 697 CE LYS A 43 0.640 21.100 6.229 1.00 41.03 C ATOM 698 NZ LYS A 43 1.623 22.139 5.845 1.00 43.30 N ATOM 0 H LYS A 43 -2.309 17.285 4.595 1.00 52.05 H new ATOM 0 HA LYS A 43 -2.389 17.855 7.366 1.00 13.43 H new ATOM 0 HB2 LYS A 43 -2.351 19.768 4.985 1.00 14.41 H new ATOM 0 HB3 LYS A 43 -1.868 20.154 6.625 1.00 14.41 H new ATOM 0 HG2 LYS A 43 -0.043 18.457 6.450 1.00 12.04 H new ATOM 0 HG3 LYS A 43 -0.503 18.169 4.784 1.00 12.04 H new ATOM 0 HD2 LYS A 43 1.384 19.682 4.798 1.00 4.14 H new ATOM 0 HD3 LYS A 43 -0.026 20.572 4.257 1.00 4.14 H new ATOM 0 HE2 LYS A 43 -0.310 21.574 6.477 1.00 41.03 H new ATOM 0 HE3 LYS A 43 0.986 20.589 7.128 1.00 41.03 H new ATOM 0 HZ1 LYS A 43 1.741 22.812 6.629 1.00 43.30 H new ATOM 0 HZ2 LYS A 43 2.537 21.691 5.633 1.00 43.30 H new ATOM 0 HZ3 LYS A 43 1.282 22.645 5.003 1.00 43.30 H new ATOM 712 N ASN A 44 -4.941 18.798 5.557 1.00 14.24 N ATOM 713 CA ASN A 44 -6.301 19.290 5.623 1.00 32.01 C ATOM 714 C ASN A 44 -7.264 18.206 6.073 1.00 63.02 C ATOM 715 O ASN A 44 -8.116 18.424 6.932 1.00 20.52 O ATOM 716 CB ASN A 44 -6.736 19.865 4.262 1.00 53.22 C ATOM 717 CG ASN A 44 -8.173 20.376 4.260 1.00 62.30 C ATOM 718 OD1 ASN A 44 -8.429 21.532 4.605 1.00 71.25 O ATOM 719 ND2 ASN A 44 -9.104 19.552 3.836 1.00 71.21 N ATOM 0 H ASN A 44 -4.634 18.519 4.625 1.00 14.24 H new ATOM 0 HA ASN A 44 -6.328 20.088 6.365 1.00 32.01 H new ATOM 0 HB2 ASN A 44 -6.066 20.680 3.988 1.00 53.22 H new ATOM 0 HB3 ASN A 44 -6.630 19.095 3.498 1.00 53.22 H new ATOM 0 HD21 ASN A 44 -10.074 19.862 3.784 1.00 71.21 H new ATOM 0 HD22 ASN A 44 -8.857 18.602 3.558 1.00 71.21 H new ATOM 726 N ASN A 45 -7.100 17.031 5.517 1.00 5.41 N ATOM 727 CA ASN A 45 -8.057 15.949 5.732 1.00 61.44 C ATOM 728 C ASN A 45 -7.731 15.095 6.969 1.00 34.12 C ATOM 729 O ASN A 45 -8.580 14.369 7.451 1.00 74.05 O ATOM 730 CB ASN A 45 -8.130 15.084 4.478 1.00 53.41 C ATOM 731 CG ASN A 45 -9.187 14.015 4.529 1.00 20.52 C ATOM 732 OD1 ASN A 45 -10.233 14.180 5.141 1.00 52.03 O ATOM 733 ND2 ASN A 45 -8.928 12.922 3.882 1.00 51.12 N ATOM 0 H ASN A 45 -6.316 16.790 4.911 1.00 5.41 H new ATOM 0 HA ASN A 45 -9.029 16.402 5.928 1.00 61.44 H new ATOM 0 HB2 ASN A 45 -8.319 15.726 3.618 1.00 53.41 H new ATOM 0 HB3 ASN A 45 -7.160 14.613 4.318 1.00 53.41 H new ATOM 0 HD21 ASN A 45 -9.608 12.162 3.872 1.00 51.12 H new ATOM 0 HD22 ASN A 45 -8.044 12.822 3.383 1.00 51.12 H new ATOM 740 N ASN A 46 -6.489 15.182 7.461 1.00 64.42 N ATOM 741 CA ASN A 46 -6.018 14.457 8.696 1.00 54.24 C ATOM 742 C ASN A 46 -5.766 12.935 8.438 1.00 12.51 C ATOM 743 O ASN A 46 -5.238 12.219 9.291 1.00 54.35 O ATOM 744 CB ASN A 46 -7.020 14.674 9.872 1.00 42.45 C ATOM 745 CG ASN A 46 -6.571 14.094 11.194 1.00 12.22 C ATOM 746 OD1 ASN A 46 -5.385 14.049 11.492 1.00 42.03 O ATOM 747 ND2 ASN A 46 -7.507 13.636 11.982 1.00 23.20 N ATOM 0 H ASN A 46 -5.764 15.754 7.028 1.00 64.42 H new ATOM 0 HA ASN A 46 -5.055 14.885 8.975 1.00 54.24 H new ATOM 0 HB2 ASN A 46 -7.187 15.744 9.997 1.00 42.45 H new ATOM 0 HB3 ASN A 46 -7.979 14.231 9.602 1.00 42.45 H new ATOM 0 HD21 ASN A 46 -7.260 13.223 12.881 1.00 23.20 H new ATOM 0 HD22 ASN A 46 -8.485 13.692 11.698 1.00 23.20 H new ATOM 754 N ARG A 47 -6.081 12.486 7.247 1.00 1.01 N ATOM 755 CA ARG A 47 -6.028 11.100 6.874 1.00 53.35 C ATOM 756 C ARG A 47 -4.660 10.680 6.301 1.00 4.13 C ATOM 757 O ARG A 47 -4.100 11.380 5.479 1.00 51.25 O ATOM 758 CB ARG A 47 -7.101 10.919 5.808 1.00 24.14 C ATOM 759 CG ARG A 47 -7.004 9.661 5.020 1.00 50.22 C ATOM 760 CD ARG A 47 -7.270 8.415 5.855 1.00 63.34 C ATOM 761 NE ARG A 47 -7.206 7.177 5.061 1.00 13.35 N ATOM 762 CZ ARG A 47 -7.190 5.938 5.592 1.00 13.23 C ATOM 763 NH1 ARG A 47 -7.236 5.777 6.914 1.00 40.02 N ATOM 764 NH2 ARG A 47 -7.137 4.863 4.801 1.00 23.04 N ATOM 0 H ARG A 47 -6.390 13.096 6.491 1.00 1.01 H new ATOM 0 HA ARG A 47 -6.187 10.478 7.755 1.00 53.35 H new ATOM 0 HB2 ARG A 47 -8.078 10.953 6.289 1.00 24.14 H new ATOM 0 HB3 ARG A 47 -7.054 11.764 5.121 1.00 24.14 H new ATOM 0 HG2 ARG A 47 -7.717 9.699 4.196 1.00 50.22 H new ATOM 0 HG3 ARG A 47 -6.010 9.591 4.579 1.00 50.22 H new ATOM 0 HD2 ARG A 47 -6.541 8.362 6.664 1.00 63.34 H new ATOM 0 HD3 ARG A 47 -8.254 8.495 6.317 1.00 63.34 H new ATOM 0 HE ARG A 47 -7.172 7.262 4.045 1.00 13.35 H new ATOM 0 HH11 ARG A 47 -7.283 6.592 7.526 1.00 40.02 H new ATOM 0 HH12 ARG A 47 -7.224 4.839 7.314 1.00 40.02 H new ATOM 0 HH21 ARG A 47 -7.108 4.976 3.788 1.00 23.04 H new ATOM 0 HH22 ARG A 47 -7.125 3.929 5.210 1.00 23.04 H new ATOM 778 N GLN A 48 -4.141 9.537 6.758 1.00 54.30 N ATOM 779 CA GLN A 48 -2.969 8.918 6.137 1.00 30.03 C ATOM 780 C GLN A 48 -3.383 8.030 5.028 1.00 72.23 C ATOM 781 O GLN A 48 -4.105 7.064 5.230 1.00 21.43 O ATOM 782 CB GLN A 48 -2.086 8.153 7.113 1.00 62.33 C ATOM 783 CG GLN A 48 -1.152 9.028 7.853 1.00 50.41 C ATOM 784 CD GLN A 48 -0.366 8.337 8.936 1.00 63.35 C ATOM 785 OE1 GLN A 48 0.724 7.832 8.702 1.00 74.22 O ATOM 786 NE2 GLN A 48 -0.901 8.308 10.119 1.00 54.53 N ATOM 0 H GLN A 48 -4.515 9.022 7.556 1.00 54.30 H new ATOM 0 HA GLN A 48 -2.364 9.740 5.755 1.00 30.03 H new ATOM 0 HB2 GLN A 48 -2.717 7.620 7.824 1.00 62.33 H new ATOM 0 HB3 GLN A 48 -1.516 7.401 6.567 1.00 62.33 H new ATOM 0 HG2 GLN A 48 -0.454 9.473 7.144 1.00 50.41 H new ATOM 0 HG3 GLN A 48 -1.718 9.846 8.299 1.00 50.41 H new ATOM 0 HE21 GLN A 48 -1.812 8.739 10.278 1.00 54.53 H new ATOM 0 HE22 GLN A 48 -0.411 7.854 10.889 1.00 54.53 H new ATOM 795 N VAL A 49 -2.943 8.353 3.872 1.00 0.51 N ATOM 796 CA VAL A 49 -3.287 7.587 2.707 1.00 72.45 C ATOM 797 C VAL A 49 -2.044 6.936 2.158 1.00 42.00 C ATOM 798 O VAL A 49 -0.932 7.460 2.316 1.00 45.30 O ATOM 799 CB VAL A 49 -3.867 8.451 1.550 1.00 61.13 C ATOM 800 CG1 VAL A 49 -4.459 7.575 0.474 1.00 1.34 C ATOM 801 CG2 VAL A 49 -4.866 9.476 1.997 1.00 22.42 C ATOM 0 H VAL A 49 -2.335 9.152 3.692 1.00 0.51 H new ATOM 0 HA VAL A 49 -4.042 6.870 3.031 1.00 72.45 H new ATOM 0 HB VAL A 49 -3.022 9.008 1.146 1.00 61.13 H new ATOM 0 HG11 VAL A 49 -4.859 8.200 -0.325 1.00 1.34 H new ATOM 0 HG12 VAL A 49 -3.686 6.921 0.071 1.00 1.34 H new ATOM 0 HG13 VAL A 49 -5.261 6.970 0.897 1.00 1.34 H new ATOM 0 HG21 VAL A 49 -5.223 10.037 1.133 1.00 22.42 H new ATOM 0 HG22 VAL A 49 -5.707 8.978 2.479 1.00 22.42 H new ATOM 0 HG23 VAL A 49 -4.395 10.159 2.704 1.00 22.42 H new ATOM 811 N CYS A 50 -2.224 5.807 1.542 1.00 74.35 N ATOM 812 CA CYS A 50 -1.187 5.190 0.806 1.00 51.41 C ATOM 813 C CYS A 50 -1.078 5.871 -0.545 1.00 32.13 C ATOM 814 O CYS A 50 -2.066 6.031 -1.263 1.00 32.45 O ATOM 815 CB CYS A 50 -1.442 3.712 0.651 1.00 41.22 C ATOM 816 SG CYS A 50 -1.363 2.776 2.219 1.00 51.40 S ATOM 0 H CYS A 50 -3.105 5.292 1.542 1.00 74.35 H new ATOM 0 HA CYS A 50 -0.244 5.297 1.342 1.00 51.41 H new ATOM 0 HB2 CYS A 50 -2.425 3.568 0.203 1.00 41.22 H new ATOM 0 HB3 CYS A 50 -0.711 3.299 -0.044 1.00 41.22 H new ATOM 821 N ILE A 51 0.090 6.287 -0.849 1.00 54.14 N ATOM 822 CA ILE A 51 0.407 6.997 -2.037 1.00 31.03 C ATOM 823 C ILE A 51 1.093 6.089 -3.054 1.00 12.40 C ATOM 824 O ILE A 51 1.839 5.167 -2.685 1.00 24.32 O ATOM 825 CB ILE A 51 1.310 8.209 -1.684 1.00 53.10 C ATOM 826 CG1 ILE A 51 0.525 9.259 -0.904 1.00 23.10 C ATOM 827 CG2 ILE A 51 1.953 8.817 -2.891 1.00 2.33 C ATOM 828 CD1 ILE A 51 1.325 10.481 -0.563 1.00 51.43 C ATOM 0 H ILE A 51 0.899 6.136 -0.246 1.00 54.14 H new ATOM 0 HA ILE A 51 -0.516 7.356 -2.492 1.00 31.03 H new ATOM 0 HB ILE A 51 2.115 7.831 -1.053 1.00 53.10 H new ATOM 0 HG12 ILE A 51 -0.346 9.557 -1.488 1.00 23.10 H new ATOM 0 HG13 ILE A 51 0.152 8.811 0.017 1.00 23.10 H new ATOM 0 HG21 ILE A 51 2.573 9.660 -2.587 1.00 2.33 H new ATOM 0 HG22 ILE A 51 2.573 8.071 -3.388 1.00 2.33 H new ATOM 0 HG23 ILE A 51 1.181 9.163 -3.579 1.00 2.33 H new ATOM 0 HD11 ILE A 51 0.700 11.182 -0.009 1.00 51.43 H new ATOM 0 HD12 ILE A 51 2.181 10.196 0.049 1.00 51.43 H new ATOM 0 HD13 ILE A 51 1.676 10.954 -1.480 1.00 51.43 H new ATOM 840 N ASP A 52 0.809 6.343 -4.324 1.00 13.43 N ATOM 841 CA ASP A 52 1.396 5.613 -5.427 1.00 54.03 C ATOM 842 C ASP A 52 2.857 6.035 -5.592 1.00 12.12 C ATOM 843 O ASP A 52 3.155 7.229 -5.725 1.00 32.51 O ATOM 844 CB ASP A 52 0.607 5.892 -6.710 1.00 43.22 C ATOM 845 CG ASP A 52 1.115 5.140 -7.916 1.00 32.04 C ATOM 846 OD1 ASP A 52 2.046 5.616 -8.567 1.00 34.42 O ATOM 847 OD2 ASP A 52 0.551 4.066 -8.243 1.00 13.03 O ATOM 0 H ASP A 52 0.157 7.071 -4.615 1.00 13.43 H new ATOM 0 HA ASP A 52 1.358 4.543 -5.223 1.00 54.03 H new ATOM 0 HB2 ASP A 52 -0.439 5.632 -6.546 1.00 43.22 H new ATOM 0 HB3 ASP A 52 0.640 6.961 -6.920 1.00 43.22 H new ATOM 852 N PRO A 53 3.778 5.068 -5.577 1.00 50.34 N ATOM 853 CA PRO A 53 5.230 5.324 -5.642 1.00 65.44 C ATOM 854 C PRO A 53 5.715 5.879 -6.994 1.00 51.40 C ATOM 855 O PRO A 53 6.902 6.176 -7.159 1.00 64.31 O ATOM 856 CB PRO A 53 5.826 3.934 -5.401 1.00 74.24 C ATOM 857 CG PRO A 53 4.787 3.017 -5.919 1.00 64.22 C ATOM 858 CD PRO A 53 3.497 3.622 -5.483 1.00 55.40 C ATOM 0 HA PRO A 53 5.527 6.089 -4.924 1.00 65.44 H new ATOM 0 HB2 PRO A 53 6.772 3.806 -5.927 1.00 74.24 H new ATOM 0 HB3 PRO A 53 6.023 3.760 -4.343 1.00 74.24 H new ATOM 0 HG2 PRO A 53 4.838 2.933 -7.005 1.00 64.22 H new ATOM 0 HG3 PRO A 53 4.909 2.012 -5.516 1.00 64.22 H new ATOM 0 HD2 PRO A 53 2.670 3.326 -6.129 1.00 55.40 H new ATOM 0 HD3 PRO A 53 3.231 3.325 -4.469 1.00 55.40 H new ATOM 866 N LYS A 54 4.825 6.001 -7.951 1.00 51.11 N ATOM 867 CA LYS A 54 5.201 6.493 -9.257 1.00 15.42 C ATOM 868 C LYS A 54 4.986 7.999 -9.407 1.00 43.13 C ATOM 869 O LYS A 54 5.368 8.578 -10.428 1.00 52.11 O ATOM 870 CB LYS A 54 4.486 5.722 -10.339 1.00 10.10 C ATOM 871 CG LYS A 54 4.858 4.255 -10.337 1.00 3.11 C ATOM 872 CD LYS A 54 4.039 3.466 -11.316 1.00 53.04 C ATOM 873 CE LYS A 54 4.234 3.923 -12.750 1.00 53.24 C ATOM 874 NZ LYS A 54 3.432 3.119 -13.687 1.00 13.31 N ATOM 0 H LYS A 54 3.837 5.767 -7.851 1.00 51.11 H new ATOM 0 HA LYS A 54 6.273 6.329 -9.365 1.00 15.42 H new ATOM 0 HB2 LYS A 54 3.409 5.822 -10.203 1.00 10.10 H new ATOM 0 HB3 LYS A 54 4.726 6.155 -11.310 1.00 10.10 H new ATOM 0 HG2 LYS A 54 5.915 4.149 -10.580 1.00 3.11 H new ATOM 0 HG3 LYS A 54 4.719 3.847 -9.336 1.00 3.11 H new ATOM 0 HD2 LYS A 54 4.303 2.411 -11.237 1.00 53.04 H new ATOM 0 HD3 LYS A 54 2.985 3.551 -11.053 1.00 53.04 H new ATOM 0 HE2 LYS A 54 3.955 4.973 -12.839 1.00 53.24 H new ATOM 0 HE3 LYS A 54 5.288 3.849 -13.016 1.00 53.24 H new ATOM 0 HZ1 LYS A 54 3.589 3.458 -14.658 1.00 13.31 H new ATOM 0 HZ2 LYS A 54 3.716 2.121 -13.619 1.00 13.31 H new ATOM 0 HZ3 LYS A 54 2.424 3.210 -13.447 1.00 13.31 H new ATOM 888 N LEU A 55 4.359 8.627 -8.400 1.00 62.33 N ATOM 889 CA LEU A 55 4.181 10.096 -8.384 1.00 3.01 C ATOM 890 C LEU A 55 5.513 10.820 -8.544 1.00 10.24 C ATOM 891 O LEU A 55 6.517 10.417 -7.961 1.00 13.13 O ATOM 892 CB LEU A 55 3.500 10.542 -7.093 1.00 53.03 C ATOM 893 CG LEU A 55 2.039 10.142 -6.911 1.00 23.13 C ATOM 894 CD1 LEU A 55 1.504 10.722 -5.627 1.00 11.02 C ATOM 895 CD2 LEU A 55 1.208 10.624 -8.071 1.00 22.52 C ATOM 0 H LEU A 55 3.967 8.148 -7.589 1.00 62.33 H new ATOM 0 HA LEU A 55 3.546 10.357 -9.230 1.00 3.01 H new ATOM 0 HB2 LEU A 55 4.069 10.142 -6.254 1.00 53.03 H new ATOM 0 HB3 LEU A 55 3.565 11.628 -7.033 1.00 53.03 H new ATOM 0 HG LEU A 55 1.982 9.054 -6.869 1.00 23.13 H new ATOM 0 HD11 LEU A 55 0.460 10.432 -5.504 1.00 11.02 H new ATOM 0 HD12 LEU A 55 2.087 10.345 -4.787 1.00 11.02 H new ATOM 0 HD13 LEU A 55 1.577 11.809 -5.660 1.00 11.02 H new ATOM 0 HD21 LEU A 55 0.169 10.329 -7.922 1.00 22.52 H new ATOM 0 HD22 LEU A 55 1.271 11.710 -8.137 1.00 22.52 H new ATOM 0 HD23 LEU A 55 1.582 10.182 -8.995 1.00 22.52 H new ATOM 907 N LYS A 56 5.512 11.899 -9.327 1.00 44.03 N ATOM 908 CA LYS A 56 6.741 12.649 -9.619 1.00 51.14 C ATOM 909 C LYS A 56 7.392 13.173 -8.346 1.00 20.24 C ATOM 910 O LYS A 56 8.600 13.013 -8.143 1.00 1.14 O ATOM 911 CB LYS A 56 6.474 13.824 -10.577 1.00 32.04 C ATOM 912 CG LYS A 56 7.729 14.640 -10.882 1.00 1.23 C ATOM 913 CD LYS A 56 7.439 15.856 -11.739 1.00 75.45 C ATOM 914 CE LYS A 56 8.718 16.652 -11.993 1.00 24.12 C ATOM 915 NZ LYS A 56 8.468 17.892 -12.757 1.00 40.14 N ATOM 0 H LYS A 56 4.675 12.276 -9.772 1.00 44.03 H new ATOM 0 HA LYS A 56 7.423 11.950 -10.102 1.00 51.14 H new ATOM 0 HB2 LYS A 56 6.062 13.439 -11.510 1.00 32.04 H new ATOM 0 HB3 LYS A 56 5.719 14.478 -10.140 1.00 32.04 H new ATOM 0 HG2 LYS A 56 8.186 14.960 -9.946 1.00 1.23 H new ATOM 0 HG3 LYS A 56 8.455 14.006 -11.391 1.00 1.23 H new ATOM 0 HD2 LYS A 56 7.004 15.543 -12.688 1.00 75.45 H new ATOM 0 HD3 LYS A 56 6.702 16.489 -11.244 1.00 75.45 H new ATOM 0 HE2 LYS A 56 9.182 16.904 -11.039 1.00 24.12 H new ATOM 0 HE3 LYS A 56 9.428 16.030 -12.538 1.00 24.12 H new ATOM 0 HZ1 LYS A 56 9.366 18.396 -12.904 1.00 40.14 H new ATOM 0 HZ2 LYS A 56 8.050 17.653 -13.679 1.00 40.14 H new ATOM 0 HZ3 LYS A 56 7.812 18.500 -12.227 1.00 40.14 H new ATOM 929 N TRP A 57 6.591 13.779 -7.478 1.00 24.41 N ATOM 930 CA TRP A 57 7.126 14.335 -6.248 1.00 64.42 C ATOM 931 C TRP A 57 7.614 13.219 -5.325 1.00 32.14 C ATOM 932 O TRP A 57 8.513 13.409 -4.504 1.00 12.51 O ATOM 933 CB TRP A 57 6.103 15.247 -5.544 1.00 14.31 C ATOM 934 CG TRP A 57 4.872 14.577 -4.980 1.00 43.04 C ATOM 935 CD1 TRP A 57 3.681 14.290 -5.607 1.00 24.21 C ATOM 936 CD2 TRP A 57 4.724 14.137 -3.646 1.00 55.20 C ATOM 937 NE1 TRP A 57 2.815 13.722 -4.700 1.00 54.54 N ATOM 938 CE2 TRP A 57 3.434 13.618 -3.507 1.00 71.41 C ATOM 939 CE3 TRP A 57 5.566 14.140 -2.556 1.00 43.33 C ATOM 940 CZ2 TRP A 57 2.970 13.112 -2.320 1.00 61.15 C ATOM 941 CZ3 TRP A 57 5.118 13.633 -1.377 1.00 13.12 C ATOM 942 CH2 TRP A 57 3.825 13.122 -1.256 1.00 14.01 C ATOM 0 H TRP A 57 5.585 13.895 -7.602 1.00 24.41 H new ATOM 0 HA TRP A 57 7.981 14.960 -6.504 1.00 64.42 H new ATOM 0 HB2 TRP A 57 6.612 15.764 -4.731 1.00 14.31 H new ATOM 0 HB3 TRP A 57 5.781 16.009 -6.254 1.00 14.31 H new ATOM 0 HD1 TRP A 57 3.460 14.480 -6.647 1.00 24.21 H new ATOM 0 HE1 TRP A 57 1.859 13.427 -4.899 1.00 54.54 H new ATOM 0 HE3 TRP A 57 6.566 14.539 -2.637 1.00 43.33 H new ATOM 0 HZ2 TRP A 57 1.967 12.721 -2.230 1.00 61.15 H new ATOM 0 HZ3 TRP A 57 5.774 13.626 -0.519 1.00 13.12 H new ATOM 0 HH2 TRP A 57 3.496 12.728 -0.306 1.00 14.01 H new ATOM 953 N ILE A 58 7.031 12.062 -5.497 1.00 21.54 N ATOM 954 CA ILE A 58 7.388 10.890 -4.764 1.00 42.23 C ATOM 955 C ILE A 58 8.721 10.332 -5.275 1.00 63.21 C ATOM 956 O ILE A 58 9.517 9.854 -4.500 1.00 14.01 O ATOM 957 CB ILE A 58 6.258 9.834 -4.866 1.00 24.13 C ATOM 958 CG1 ILE A 58 5.053 10.225 -4.016 1.00 62.43 C ATOM 959 CG2 ILE A 58 6.720 8.444 -4.546 1.00 61.31 C ATOM 960 CD1 ILE A 58 5.338 10.267 -2.525 1.00 3.40 C ATOM 0 H ILE A 58 6.278 11.912 -6.168 1.00 21.54 H new ATOM 0 HA ILE A 58 7.514 11.149 -3.713 1.00 42.23 H new ATOM 0 HB ILE A 58 5.949 9.821 -5.911 1.00 24.13 H new ATOM 0 HG12 ILE A 58 4.698 11.205 -4.336 1.00 62.43 H new ATOM 0 HG13 ILE A 58 4.245 9.517 -4.202 1.00 62.43 H new ATOM 0 HG21 ILE A 58 5.882 7.752 -4.636 1.00 61.31 H new ATOM 0 HG22 ILE A 58 7.507 8.153 -5.242 1.00 61.31 H new ATOM 0 HG23 ILE A 58 7.107 8.415 -3.528 1.00 61.31 H new ATOM 0 HD11 ILE A 58 4.433 10.553 -1.989 1.00 3.40 H new ATOM 0 HD12 ILE A 58 5.663 9.282 -2.189 1.00 3.40 H new ATOM 0 HD13 ILE A 58 6.123 10.996 -2.325 1.00 3.40 H new ATOM 972 N GLN A 59 8.961 10.420 -6.578 1.00 32.05 N ATOM 973 CA GLN A 59 10.237 9.970 -7.145 1.00 41.54 C ATOM 974 C GLN A 59 11.383 10.832 -6.631 1.00 44.15 C ATOM 975 O GLN A 59 12.452 10.317 -6.288 1.00 22.01 O ATOM 976 CB GLN A 59 10.211 9.943 -8.668 1.00 34.33 C ATOM 977 CG GLN A 59 9.202 8.971 -9.255 1.00 4.11 C ATOM 978 CD GLN A 59 9.255 8.927 -10.766 1.00 24.31 C ATOM 979 OE1 GLN A 59 9.587 9.915 -11.417 1.00 23.52 O ATOM 980 NE2 GLN A 59 8.949 7.792 -11.331 1.00 15.13 N ATOM 0 H GLN A 59 8.300 10.794 -7.259 1.00 32.05 H new ATOM 0 HA GLN A 59 10.398 8.944 -6.814 1.00 41.54 H new ATOM 0 HB2 GLN A 59 9.989 10.945 -9.035 1.00 34.33 H new ATOM 0 HB3 GLN A 59 11.205 9.683 -9.033 1.00 34.33 H new ATOM 0 HG2 GLN A 59 9.390 7.973 -8.858 1.00 4.11 H new ATOM 0 HG3 GLN A 59 8.199 9.257 -8.938 1.00 4.11 H new ATOM 0 HE21 GLN A 59 8.678 6.993 -10.757 1.00 15.13 H new ATOM 0 HE22 GLN A 59 8.981 7.703 -12.347 1.00 15.13 H new ATOM 989 N GLU A 60 11.142 12.147 -6.551 1.00 52.30 N ATOM 990 CA GLU A 60 12.101 13.080 -5.945 1.00 11.31 C ATOM 991 C GLU A 60 12.369 12.688 -4.501 1.00 75.02 C ATOM 992 O GLU A 60 13.459 12.885 -3.974 1.00 13.52 O ATOM 993 CB GLU A 60 11.592 14.524 -5.995 1.00 3.20 C ATOM 994 CG GLU A 60 11.541 15.136 -7.380 1.00 33.13 C ATOM 995 CD GLU A 60 12.908 15.208 -8.022 1.00 52.14 C ATOM 996 OE1 GLU A 60 13.791 15.930 -7.503 1.00 14.42 O ATOM 997 OE2 GLU A 60 13.117 14.577 -9.061 1.00 62.41 O ATOM 0 H GLU A 60 10.291 12.589 -6.898 1.00 52.30 H new ATOM 0 HA GLU A 60 13.024 13.023 -6.521 1.00 11.31 H new ATOM 0 HB2 GLU A 60 10.592 14.556 -5.563 1.00 3.20 H new ATOM 0 HB3 GLU A 60 12.232 15.141 -5.364 1.00 3.20 H new ATOM 0 HG2 GLU A 60 10.875 14.548 -8.011 1.00 33.13 H new ATOM 0 HG3 GLU A 60 11.117 16.138 -7.317 1.00 33.13 H new ATOM 1004 N TYR A 61 11.367 12.155 -3.875 1.00 65.52 N ATOM 1005 CA TYR A 61 11.458 11.703 -2.517 1.00 63.32 C ATOM 1006 C TYR A 61 12.225 10.379 -2.448 1.00 55.44 C ATOM 1007 O TYR A 61 13.184 10.262 -1.716 1.00 60.40 O ATOM 1008 CB TYR A 61 10.044 11.587 -1.920 1.00 63.03 C ATOM 1009 CG TYR A 61 9.965 10.977 -0.543 1.00 23.14 C ATOM 1010 CD1 TYR A 61 10.450 11.645 0.574 1.00 55.43 C ATOM 1011 CD2 TYR A 61 9.382 9.735 -0.362 1.00 21.00 C ATOM 1012 CE1 TYR A 61 10.356 11.086 1.836 1.00 35.15 C ATOM 1013 CE2 TYR A 61 9.280 9.169 0.882 1.00 21.31 C ATOM 1014 CZ TYR A 61 9.771 9.846 1.988 1.00 63.04 C ATOM 1015 OH TYR A 61 9.677 9.275 3.248 1.00 51.21 O ATOM 0 H TYR A 61 10.448 12.018 -4.297 1.00 65.52 H new ATOM 0 HA TYR A 61 12.015 12.426 -1.922 1.00 63.32 H new ATOM 0 HB2 TYR A 61 9.602 12.583 -1.882 1.00 63.03 H new ATOM 0 HB3 TYR A 61 9.431 10.992 -2.597 1.00 63.03 H new ATOM 0 HD1 TYR A 61 10.908 12.616 0.456 1.00 55.43 H new ATOM 0 HD2 TYR A 61 8.999 9.201 -1.219 1.00 21.00 H new ATOM 0 HE1 TYR A 61 10.738 11.616 2.696 1.00 35.15 H new ATOM 0 HE2 TYR A 61 8.819 8.200 1.000 1.00 21.31 H new ATOM 0 HH TYR A 61 8.757 8.975 3.403 1.00 51.21 H new ATOM 1025 N LEU A 62 11.819 9.424 -3.254 1.00 14.01 N ATOM 1026 CA LEU A 62 12.415 8.091 -3.278 1.00 1.42 C ATOM 1027 C LEU A 62 13.868 8.086 -3.667 1.00 11.13 C ATOM 1028 O LEU A 62 14.709 7.590 -2.924 1.00 74.33 O ATOM 1029 CB LEU A 62 11.638 7.167 -4.208 1.00 21.12 C ATOM 1030 CG LEU A 62 10.263 6.760 -3.737 1.00 72.23 C ATOM 1031 CD1 LEU A 62 9.569 5.945 -4.808 1.00 43.23 C ATOM 1032 CD2 LEU A 62 10.399 5.957 -2.461 1.00 72.21 C ATOM 0 H LEU A 62 11.058 9.544 -3.922 1.00 14.01 H new ATOM 0 HA LEU A 62 12.357 7.726 -2.252 1.00 1.42 H new ATOM 0 HB2 LEU A 62 11.538 7.658 -5.176 1.00 21.12 H new ATOM 0 HB3 LEU A 62 12.228 6.264 -4.368 1.00 21.12 H new ATOM 0 HG LEU A 62 9.661 7.647 -3.541 1.00 72.23 H new ATOM 0 HD11 LEU A 62 8.578 5.656 -4.460 1.00 43.23 H new ATOM 0 HD12 LEU A 62 9.475 6.542 -5.715 1.00 43.23 H new ATOM 0 HD13 LEU A 62 10.154 5.050 -5.021 1.00 43.23 H new ATOM 0 HD21 LEU A 62 9.411 5.658 -2.112 1.00 72.21 H new ATOM 0 HD22 LEU A 62 11.000 5.068 -2.653 1.00 72.21 H new ATOM 0 HD23 LEU A 62 10.884 6.566 -1.698 1.00 72.21 H new ATOM 1044 N GLU A 63 14.171 8.669 -4.791 1.00 70.03 N ATOM 1045 CA GLU A 63 15.530 8.637 -5.318 1.00 35.40 C ATOM 1046 C GLU A 63 16.499 9.423 -4.459 1.00 31.31 C ATOM 1047 O GLU A 63 17.700 9.196 -4.503 1.00 52.14 O ATOM 1048 CB GLU A 63 15.571 9.117 -6.762 1.00 55.52 C ATOM 1049 CG GLU A 63 14.684 8.318 -7.690 1.00 12.12 C ATOM 1050 CD GLU A 63 14.829 8.738 -9.126 1.00 23.15 C ATOM 1051 OE1 GLU A 63 15.845 8.381 -9.761 1.00 31.10 O ATOM 1052 OE2 GLU A 63 13.944 9.438 -9.647 1.00 0.33 O ATOM 0 H GLU A 63 13.503 9.177 -5.371 1.00 70.03 H new ATOM 0 HA GLU A 63 15.853 7.596 -5.294 1.00 35.40 H new ATOM 0 HB2 GLU A 63 15.270 10.164 -6.797 1.00 55.52 H new ATOM 0 HB3 GLU A 63 16.598 9.069 -7.123 1.00 55.52 H new ATOM 0 HG2 GLU A 63 14.927 7.259 -7.598 1.00 12.12 H new ATOM 0 HG3 GLU A 63 13.644 8.434 -7.384 1.00 12.12 H new ATOM 1059 N LYS A 64 15.988 10.329 -3.678 1.00 5.14 N ATOM 1060 CA LYS A 64 16.833 11.106 -2.815 1.00 12.55 C ATOM 1061 C LYS A 64 16.905 10.521 -1.408 1.00 32.35 C ATOM 1062 O LYS A 64 17.975 10.509 -0.796 1.00 22.41 O ATOM 1063 CB LYS A 64 16.455 12.607 -2.811 1.00 30.14 C ATOM 1064 CG LYS A 64 16.851 13.395 -4.090 1.00 65.14 C ATOM 1065 CD LYS A 64 16.211 12.843 -5.363 1.00 51.11 C ATOM 1066 CE LYS A 64 16.661 13.593 -6.610 1.00 22.24 C ATOM 1067 NZ LYS A 64 16.214 15.005 -6.628 1.00 3.54 N ATOM 0 H LYS A 64 14.994 10.549 -3.620 1.00 5.14 H new ATOM 0 HA LYS A 64 17.839 11.048 -3.230 1.00 12.55 H new ATOM 0 HB2 LYS A 64 15.378 12.693 -2.670 1.00 30.14 H new ATOM 0 HB3 LYS A 64 16.928 13.081 -1.951 1.00 30.14 H new ATOM 0 HG2 LYS A 64 16.561 14.439 -3.969 1.00 65.14 H new ATOM 0 HG3 LYS A 64 17.935 13.376 -4.199 1.00 65.14 H new ATOM 0 HD2 LYS A 64 16.464 11.788 -5.466 1.00 51.11 H new ATOM 0 HD3 LYS A 64 15.126 12.904 -5.277 1.00 51.11 H new ATOM 0 HE2 LYS A 64 17.749 13.561 -6.674 1.00 22.24 H new ATOM 0 HE3 LYS A 64 16.275 13.084 -7.493 1.00 22.24 H new ATOM 0 HZ1 LYS A 64 16.759 15.533 -7.339 1.00 3.54 H new ATOM 0 HZ2 LYS A 64 15.203 15.046 -6.867 1.00 3.54 H new ATOM 0 HZ3 LYS A 64 16.366 15.429 -5.691 1.00 3.54 H new ATOM 1081 N ALA A 65 15.790 9.990 -0.915 1.00 13.21 N ATOM 1082 CA ALA A 65 15.752 9.426 0.424 1.00 32.51 C ATOM 1083 C ALA A 65 16.337 8.025 0.463 1.00 21.01 C ATOM 1084 O ALA A 65 17.086 7.697 1.366 1.00 41.30 O ATOM 1085 CB ALA A 65 14.336 9.435 0.995 1.00 3.12 C ATOM 0 H ALA A 65 14.906 9.940 -1.422 1.00 13.21 H new ATOM 0 HA ALA A 65 16.374 10.063 1.053 1.00 32.51 H new ATOM 0 HB1 ALA A 65 14.345 9.006 1.997 1.00 3.12 H new ATOM 0 HB2 ALA A 65 13.969 10.460 1.042 1.00 3.12 H new ATOM 0 HB3 ALA A 65 13.681 8.845 0.354 1.00 3.12 H new ATOM 1091 N LEU A 66 16.015 7.201 -0.523 1.00 64.23 N ATOM 1092 CA LEU A 66 16.520 5.826 -0.551 1.00 0.32 C ATOM 1093 C LEU A 66 17.979 5.774 -0.928 1.00 54.24 C ATOM 1094 O LEU A 66 18.697 4.825 -0.569 1.00 15.42 O ATOM 1095 CB LEU A 66 15.663 4.876 -1.418 1.00 54.51 C ATOM 1096 CG LEU A 66 14.295 4.439 -0.833 1.00 60.52 C ATOM 1097 CD1 LEU A 66 13.382 5.611 -0.560 1.00 54.11 C ATOM 1098 CD2 LEU A 66 13.616 3.447 -1.757 1.00 0.35 C ATOM 0 H LEU A 66 15.414 7.451 -1.308 1.00 64.23 H new ATOM 0 HA LEU A 66 16.432 5.453 0.469 1.00 0.32 H new ATOM 0 HB2 LEU A 66 15.483 5.361 -2.377 1.00 54.51 H new ATOM 0 HB3 LEU A 66 16.249 3.979 -1.620 1.00 54.51 H new ATOM 0 HG LEU A 66 14.497 3.960 0.125 1.00 60.52 H new ATOM 0 HD11 LEU A 66 12.438 5.250 -0.152 1.00 54.11 H new ATOM 0 HD12 LEU A 66 13.855 6.281 0.158 1.00 54.11 H new ATOM 0 HD13 LEU A 66 13.193 6.149 -1.489 1.00 54.11 H new ATOM 0 HD21 LEU A 66 12.657 3.151 -1.331 1.00 0.35 H new ATOM 0 HD22 LEU A 66 13.453 3.909 -2.731 1.00 0.35 H new ATOM 0 HD23 LEU A 66 14.248 2.567 -1.874 1.00 0.35 H new ATOM 1110 N ASN A 67 18.428 6.776 -1.652 1.00 3.35 N ATOM 1111 CA ASN A 67 19.847 6.913 -1.942 1.00 20.15 C ATOM 1112 C ASN A 67 20.609 7.210 -0.649 1.00 10.55 C ATOM 1113 O ASN A 67 21.683 6.666 -0.405 1.00 52.54 O ATOM 1114 CB ASN A 67 20.092 8.054 -2.929 1.00 11.02 C ATOM 1115 CG ASN A 67 21.567 8.256 -3.253 1.00 42.41 C ATOM 1116 OD1 ASN A 67 22.358 7.302 -3.276 1.00 3.32 O ATOM 1117 ND2 ASN A 67 21.954 9.485 -3.485 1.00 42.55 N ATOM 0 H ASN A 67 17.838 7.507 -2.051 1.00 3.35 H new ATOM 0 HA ASN A 67 20.197 5.979 -2.382 1.00 20.15 H new ATOM 0 HB2 ASN A 67 19.548 7.852 -3.851 1.00 11.02 H new ATOM 0 HB3 ASN A 67 19.687 8.978 -2.516 1.00 11.02 H new ATOM 0 HD21 ASN A 67 22.933 9.681 -3.693 1.00 42.55 H new ATOM 0 HD22 ASN A 67 21.276 10.247 -3.458 1.00 42.55 H new ATOM 1124 N LYS A 68 20.018 8.044 0.181 1.00 0.42 N ATOM 1125 CA LYS A 68 20.644 8.496 1.399 1.00 50.13 C ATOM 1126 C LYS A 68 20.326 7.554 2.562 1.00 72.22 C ATOM 1127 O LYS A 68 19.283 7.718 3.212 1.00 38.17 O ATOM 1128 CB LYS A 68 20.187 9.919 1.709 1.00 63.11 C ATOM 1129 CG LYS A 68 20.887 10.553 2.898 1.00 55.41 C ATOM 1130 CD LYS A 68 20.416 11.980 3.133 1.00 3.33 C ATOM 1131 CE LYS A 68 20.685 12.880 1.927 1.00 11.50 C ATOM 1132 NZ LYS A 68 22.125 12.960 1.587 1.00 70.11 N ATOM 1133 OXT LYS A 68 21.137 6.629 2.835 1.00 38.17 O ATOM 0 H LYS A 68 19.086 8.427 0.026 1.00 0.42 H new ATOM 0 HA LYS A 68 21.725 8.492 1.263 1.00 50.13 H new ATOM 0 HB2 LYS A 68 20.353 10.541 0.830 1.00 63.11 H new ATOM 0 HB3 LYS A 68 19.113 9.911 1.896 1.00 63.11 H new ATOM 0 HG2 LYS A 68 20.700 9.956 3.791 1.00 55.41 H new ATOM 0 HG3 LYS A 68 21.964 10.548 2.731 1.00 55.41 H new ATOM 0 HD2 LYS A 68 19.348 11.977 3.352 1.00 3.33 H new ATOM 0 HD3 LYS A 68 20.920 12.388 4.009 1.00 3.33 H new ATOM 0 HE2 LYS A 68 20.132 12.503 1.066 1.00 11.50 H new ATOM 0 HE3 LYS A 68 20.308 13.882 2.134 1.00 11.50 H new ATOM 0 HZ1 LYS A 68 22.269 13.683 0.854 1.00 70.11 H new ATOM 0 HZ2 LYS A 68 22.669 13.215 2.436 1.00 70.11 H new ATOM 0 HZ3 LYS A 68 22.450 12.038 1.232 1.00 70.11 H new