USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 489 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 12 GLN : amide:sc= -1.79! K(o=-1.8!,f=-0.072) USER MOD Single : A 13 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.12) USER MOD Single : A 14 LYS NZ :NH3+ 158:sc= 1.23 (180deg=1.13) USER MOD Single : A 15 HIS : no HD1:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 24 THR OG1 : rot 74:sc= 0.856 USER MOD Single : A 25 TYR OH : rot 174:sc= -2.45! USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0438 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0418) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -137:sc= -2.61! (180deg=-6.64!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 40 SER OG : rot -78:sc= 0.518 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -3.01! K(o=-3!,f=0.003) USER MOD Single : A 61 GLN : amide:sc= -3.58! C(o=-3.6!,f=-1.7!) USER MOD Single : A 67 LYS NZ :NH3+ -171:sc= 0.925 (180deg=0.862) USER MOD ----------------------------------------------------------------- ATOM 116 N GLU A 11 9.345 -4.456 -1.697 1.00 0.00 N ATOM 117 CA GLU A 11 8.433 -5.561 -1.997 1.00 0.00 C ATOM 118 C GLU A 11 7.749 -6.048 -0.727 1.00 0.00 C ATOM 119 O GLU A 11 6.608 -6.511 -0.759 1.00 0.00 O ATOM 120 CB GLU A 11 9.192 -6.721 -2.650 1.00 0.00 C ATOM 121 CG GLU A 11 9.613 -6.464 -4.091 1.00 0.00 C ATOM 122 CD GLU A 11 8.440 -6.402 -5.053 1.00 0.00 C ATOM 123 OE1 GLU A 11 7.557 -7.278 -4.975 1.00 0.00 O ATOM 124 OE2 GLU A 11 8.413 -5.499 -5.910 1.00 0.00 O ATOM 0 HA GLU A 11 7.676 -5.196 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.081 -6.937 -2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.565 -7.612 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.165 -5.525 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.295 -7.252 -4.410 1.00 0.00 H new ATOM 131 N GLN A 12 8.454 -5.949 0.386 1.00 0.00 N ATOM 132 CA GLN A 12 7.891 -6.298 1.675 1.00 0.00 C ATOM 133 C GLN A 12 6.784 -5.320 2.040 1.00 0.00 C ATOM 134 O GLN A 12 5.706 -5.726 2.484 1.00 0.00 O ATOM 135 CB GLN A 12 8.979 -6.291 2.735 1.00 0.00 C ATOM 136 CG GLN A 12 8.556 -6.907 4.048 1.00 0.00 C ATOM 137 CD GLN A 12 9.728 -7.089 4.985 1.00 0.00 C ATOM 138 OE1 GLN A 12 9.583 -7.030 6.202 1.00 0.00 O ATOM 139 NE2 GLN A 12 10.905 -7.313 4.415 1.00 0.00 N ATOM 0 H GLN A 12 9.422 -5.628 0.421 1.00 0.00 H new ATOM 0 HA GLN A 12 7.465 -7.300 1.621 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.847 -6.830 2.355 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.294 -5.263 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.806 -6.273 4.522 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.086 -7.873 3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.980 -7.354 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.735 -7.444 4.993 1.00 0.00 H new ATOM 148 N LYS A 13 7.055 -4.031 1.843 1.00 0.00 N ATOM 149 CA LYS A 13 6.036 -3.006 2.017 1.00 0.00 C ATOM 150 C LYS A 13 4.880 -3.293 1.074 1.00 0.00 C ATOM 151 O LYS A 13 3.724 -3.273 1.480 1.00 0.00 O ATOM 152 CB LYS A 13 6.588 -1.601 1.738 1.00 0.00 C ATOM 153 CG LYS A 13 7.619 -1.100 2.739 1.00 0.00 C ATOM 154 CD LYS A 13 8.011 0.331 2.403 1.00 0.00 C ATOM 155 CE LYS A 13 9.009 0.912 3.390 1.00 0.00 C ATOM 156 NZ LYS A 13 9.245 2.372 3.158 1.00 0.00 N ATOM 0 H LYS A 13 7.969 -3.676 1.564 1.00 0.00 H new ATOM 0 HA LYS A 13 5.700 -3.031 3.054 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.037 -1.595 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.755 -0.898 1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.212 -1.148 3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.500 -1.742 2.720 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.438 0.361 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.117 0.954 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 13 8.644 0.761 4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.954 0.375 3.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.050 2.690 3.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.455 2.534 2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.395 2.908 3.425 1.00 0.00 H new ATOM 170 N LYS A 14 5.220 -3.594 -0.180 1.00 0.00 N ATOM 171 CA LYS A 14 4.241 -3.940 -1.201 1.00 0.00 C ATOM 172 C LYS A 14 3.252 -4.989 -0.685 1.00 0.00 C ATOM 173 O LYS A 14 2.039 -4.790 -0.737 1.00 0.00 O ATOM 174 CB LYS A 14 4.967 -4.480 -2.436 1.00 0.00 C ATOM 175 CG LYS A 14 4.081 -4.593 -3.663 1.00 0.00 C ATOM 176 CD LYS A 14 4.869 -4.980 -4.900 1.00 0.00 C ATOM 177 CE LYS A 14 5.499 -3.773 -5.583 1.00 0.00 C ATOM 178 NZ LYS A 14 6.314 -4.187 -6.752 1.00 0.00 N ATOM 0 H LYS A 14 6.184 -3.604 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 14 3.680 -3.043 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.809 -3.827 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.379 -5.462 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.304 -5.335 -3.482 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.579 -3.641 -3.836 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.651 -5.688 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.211 -5.490 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.718 -3.085 -5.906 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.125 -3.234 -4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.420 -3.383 -7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.252 -4.497 -6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.841 -4.971 -7.245 1.00 0.00 H new ATOM 192 N HIS A 15 3.774 -6.084 -0.139 1.00 0.00 N ATOM 193 CA HIS A 15 2.920 -7.165 0.333 1.00 0.00 C ATOM 194 C HIS A 15 2.126 -6.752 1.571 1.00 0.00 C ATOM 195 O HIS A 15 0.912 -6.915 1.608 1.00 0.00 O ATOM 196 CB HIS A 15 3.748 -8.425 0.624 1.00 0.00 C ATOM 197 CG HIS A 15 2.955 -9.533 1.261 1.00 0.00 C ATOM 198 ND1 HIS A 15 3.476 -10.393 2.201 1.00 0.00 N ATOM 199 CD2 HIS A 15 1.670 -9.920 1.077 1.00 0.00 C ATOM 200 CE1 HIS A 15 2.552 -11.261 2.561 1.00 0.00 C ATOM 201 NE2 HIS A 15 1.442 -11.000 1.895 1.00 0.00 N ATOM 0 H HIS A 15 4.774 -6.244 -0.014 1.00 0.00 H new ATOM 0 HA HIS A 15 2.208 -7.391 -0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.181 -8.789 -0.308 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.578 -8.161 1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.955 -9.463 0.409 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.681 -12.055 3.282 1.00 0.00 H new ATOM 0 HE2 HIS A 15 0.564 -11.513 1.974 1.00 0.00 H new ATOM 210 N TYR A 16 2.798 -6.208 2.573 1.00 0.00 N ATOM 211 CA TYR A 16 2.148 -5.908 3.846 1.00 0.00 C ATOM 212 C TYR A 16 1.168 -4.741 3.702 1.00 0.00 C ATOM 213 O TYR A 16 0.217 -4.626 4.473 1.00 0.00 O ATOM 214 CB TYR A 16 3.208 -5.607 4.908 1.00 0.00 C ATOM 215 CG TYR A 16 2.746 -5.864 6.322 1.00 0.00 C ATOM 216 CD1 TYR A 16 1.681 -6.716 6.578 1.00 0.00 C ATOM 217 CD2 TYR A 16 3.379 -5.261 7.399 1.00 0.00 C ATOM 218 CE1 TYR A 16 1.257 -6.958 7.867 1.00 0.00 C ATOM 219 CE2 TYR A 16 2.961 -5.498 8.693 1.00 0.00 C ATOM 220 CZ TYR A 16 1.900 -6.347 8.923 1.00 0.00 C ATOM 221 OH TYR A 16 1.481 -6.587 10.210 1.00 0.00 O ATOM 0 H TYR A 16 3.788 -5.965 2.534 1.00 0.00 H new ATOM 0 HA TYR A 16 1.573 -6.779 4.160 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.091 -6.214 4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.512 -4.564 4.819 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.176 -7.197 5.754 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.211 -4.596 7.222 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.425 -7.623 8.049 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.463 -5.020 9.521 1.00 0.00 H new ATOM 0 HH TYR A 16 2.040 -6.081 10.836 1.00 0.00 H new ATOM 231 N PHE A 17 1.382 -3.902 2.692 1.00 0.00 N ATOM 232 CA PHE A 17 0.472 -2.801 2.406 1.00 0.00 C ATOM 233 C PHE A 17 -0.729 -3.329 1.643 1.00 0.00 C ATOM 234 O PHE A 17 -1.809 -2.771 1.720 1.00 0.00 O ATOM 235 CB PHE A 17 1.158 -1.720 1.582 1.00 0.00 C ATOM 236 CG PHE A 17 0.312 -0.498 1.373 1.00 0.00 C ATOM 237 CD1 PHE A 17 -0.079 0.266 2.456 1.00 0.00 C ATOM 238 CD2 PHE A 17 -0.074 -0.107 0.099 1.00 0.00 C ATOM 239 CE1 PHE A 17 -0.846 1.402 2.283 1.00 0.00 C ATOM 240 CE2 PHE A 17 -0.845 1.023 -0.083 1.00 0.00 C ATOM 241 CZ PHE A 17 -1.231 1.780 1.010 1.00 0.00 C ATOM 0 H PHE A 17 2.179 -3.965 2.058 1.00 0.00 H new ATOM 0 HA PHE A 17 0.155 -2.362 3.352 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.085 -1.430 2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.431 -2.133 0.611 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.219 -0.029 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.231 -0.691 -0.757 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.143 1.992 3.138 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.147 1.317 -1.077 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.833 2.666 0.868 1.00 0.00 H new ATOM 251 N TRP A 18 -0.525 -4.407 0.894 1.00 0.00 N ATOM 252 CA TRP A 18 -1.627 -5.087 0.209 1.00 0.00 C ATOM 253 C TRP A 18 -2.381 -5.908 1.238 1.00 0.00 C ATOM 254 O TRP A 18 -3.587 -6.109 1.146 1.00 0.00 O ATOM 255 CB TRP A 18 -1.090 -5.988 -0.908 1.00 0.00 C ATOM 256 CG TRP A 18 -2.107 -6.582 -1.869 1.00 0.00 C ATOM 257 CD1 TRP A 18 -1.844 -7.614 -2.720 1.00 0.00 C ATOM 258 CD2 TRP A 18 -3.492 -6.207 -2.124 1.00 0.00 C ATOM 259 NE1 TRP A 18 -2.944 -7.905 -3.479 1.00 0.00 N ATOM 260 CE2 TRP A 18 -3.965 -7.075 -3.134 1.00 0.00 C ATOM 261 CE3 TRP A 18 -4.390 -5.244 -1.621 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -5.258 -7.017 -3.638 1.00 0.00 C ATOM 263 CZ3 TRP A 18 -5.675 -5.193 -2.137 1.00 0.00 C ATOM 264 CH2 TRP A 18 -6.095 -6.074 -3.132 1.00 0.00 C ATOM 0 H TRP A 18 0.390 -4.831 0.744 1.00 0.00 H new ATOM 0 HA TRP A 18 -2.293 -4.356 -0.249 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -0.371 -5.412 -1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.542 -6.809 -0.446 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.898 -8.130 -2.786 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.991 -8.632 -4.193 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.082 -4.557 -0.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.587 -7.700 -4.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -6.366 -4.454 -1.760 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -7.105 -6.006 -3.508 1.00 0.00 H new ATOM 275 N LEU A 19 -1.641 -6.340 2.250 1.00 0.00 N ATOM 276 CA LEU A 19 -2.211 -7.058 3.375 1.00 0.00 C ATOM 277 C LEU A 19 -3.041 -6.060 4.161 1.00 0.00 C ATOM 278 O LEU A 19 -4.122 -6.356 4.655 1.00 0.00 O ATOM 279 CB LEU A 19 -1.084 -7.660 4.241 1.00 0.00 C ATOM 280 CG LEU A 19 -1.501 -8.840 5.122 1.00 0.00 C ATOM 281 CD1 LEU A 19 -0.308 -9.723 5.433 1.00 0.00 C ATOM 282 CD2 LEU A 19 -2.124 -8.345 6.412 1.00 0.00 C ATOM 0 H LEU A 19 -0.632 -6.202 2.312 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.837 -7.887 3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.277 -7.984 3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.679 -6.875 4.880 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.239 -9.427 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.626 -10.556 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.112 -10.108 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.448 -9.141 5.959 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.415 -9.197 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.401 -7.736 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.005 -7.745 6.184 1.00 0.00 H new ATOM 294 N LEU A 20 -2.509 -4.858 4.218 1.00 0.00 N ATOM 295 CA LEU A 20 -3.159 -3.716 4.841 1.00 0.00 C ATOM 296 C LEU A 20 -4.374 -3.258 4.016 1.00 0.00 C ATOM 297 O LEU A 20 -5.480 -3.110 4.543 1.00 0.00 O ATOM 298 CB LEU A 20 -2.110 -2.597 4.922 1.00 0.00 C ATOM 299 CG LEU A 20 -2.293 -1.525 5.992 1.00 0.00 C ATOM 300 CD1 LEU A 20 -3.626 -0.807 5.838 1.00 0.00 C ATOM 301 CD2 LEU A 20 -2.128 -2.131 7.383 1.00 0.00 C ATOM 0 H LEU A 20 -1.593 -4.639 3.825 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.529 -3.978 5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.136 -3.062 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.075 -2.100 3.953 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.516 -0.772 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.724 -0.050 6.616 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.671 -0.329 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.440 -1.527 5.928 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.261 -1.355 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.874 -2.912 7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.130 -2.560 7.477 1.00 0.00 H new ATOM 313 N LEU A 21 -4.153 -3.056 2.716 1.00 0.00 N ATOM 314 CA LEU A 21 -5.131 -2.476 1.827 1.00 0.00 C ATOM 315 C LEU A 21 -6.276 -3.469 1.585 1.00 0.00 C ATOM 316 O LEU A 21 -7.422 -3.064 1.442 1.00 0.00 O ATOM 317 CB LEU A 21 -4.398 -2.075 0.529 1.00 0.00 C ATOM 318 CG LEU A 21 -5.023 -0.984 -0.367 1.00 0.00 C ATOM 319 CD1 LEU A 21 -6.541 -1.035 -0.400 1.00 0.00 C ATOM 320 CD2 LEU A 21 -4.524 0.369 0.088 1.00 0.00 C ATOM 0 H LEU A 21 -3.275 -3.298 2.256 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.589 -1.586 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.396 -1.744 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.282 -2.974 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.707 -1.169 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.918 -0.243 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.864 -2.002 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.932 -0.897 0.608 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.960 1.147 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.814 0.534 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.438 0.403 0.006 1.00 0.00 H new ATOM 332 N GLN A 22 -5.978 -4.769 1.577 1.00 0.00 N ATOM 333 CA GLN A 22 -7.032 -5.778 1.417 1.00 0.00 C ATOM 334 C GLN A 22 -7.764 -6.012 2.737 1.00 0.00 C ATOM 335 O GLN A 22 -8.974 -6.246 2.752 1.00 0.00 O ATOM 336 CB GLN A 22 -6.479 -7.111 0.892 1.00 0.00 C ATOM 337 CG GLN A 22 -7.571 -8.146 0.637 1.00 0.00 C ATOM 338 CD GLN A 22 -7.061 -9.452 0.050 1.00 0.00 C ATOM 339 OE1 GLN A 22 -5.930 -9.870 0.303 1.00 0.00 O ATOM 340 NE2 GLN A 22 -7.905 -10.109 -0.733 1.00 0.00 N ATOM 0 H GLN A 22 -5.035 -5.145 1.677 1.00 0.00 H new ATOM 0 HA GLN A 22 -7.732 -5.388 0.679 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.931 -6.932 -0.033 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.766 -7.512 1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.083 -8.357 1.576 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.310 -7.719 -0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.833 -9.727 -0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -7.627 -10.996 -1.152 1.00 0.00 H new ATOM 349 N ARG A 23 -7.024 -5.956 3.843 1.00 0.00 N ATOM 350 CA ARG A 23 -7.621 -6.067 5.171 1.00 0.00 C ATOM 351 C ARG A 23 -8.662 -4.977 5.359 1.00 0.00 C ATOM 352 O ARG A 23 -9.746 -5.215 5.888 1.00 0.00 O ATOM 353 CB ARG A 23 -6.537 -5.976 6.256 1.00 0.00 C ATOM 354 CG ARG A 23 -7.069 -5.828 7.674 1.00 0.00 C ATOM 355 CD ARG A 23 -6.969 -4.394 8.152 1.00 0.00 C ATOM 356 NE ARG A 23 -5.577 -3.982 8.268 1.00 0.00 N ATOM 357 CZ ARG A 23 -4.970 -3.780 9.419 1.00 0.00 C ATOM 358 NH1 ARG A 23 -5.639 -3.843 10.566 1.00 0.00 N ATOM 359 NH2 ARG A 23 -3.691 -3.488 9.418 1.00 0.00 N ATOM 0 H ARG A 23 -6.011 -5.835 3.845 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.109 -7.037 5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.916 -6.871 6.207 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.890 -5.127 6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.108 -6.154 7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.507 -6.477 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.490 -3.737 7.456 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.464 -4.293 9.118 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.043 -3.842 7.410 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.638 -4.050 10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.154 -3.684 11.449 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.184 -3.421 8.536 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.204 -3.328 10.300 1.00 0.00 H new ATOM 373 N THR A 24 -8.324 -3.783 4.906 1.00 0.00 N ATOM 374 CA THR A 24 -9.238 -2.668 4.973 1.00 0.00 C ATOM 375 C THR A 24 -10.265 -2.748 3.846 1.00 0.00 C ATOM 376 O THR A 24 -11.469 -2.792 4.092 1.00 0.00 O ATOM 377 CB THR A 24 -8.484 -1.335 4.883 1.00 0.00 C ATOM 378 OG1 THR A 24 -7.366 -1.346 5.780 1.00 0.00 O ATOM 379 CG2 THR A 24 -9.406 -0.180 5.230 1.00 0.00 C ATOM 0 H THR A 24 -7.420 -3.565 4.488 1.00 0.00 H new ATOM 0 HA THR A 24 -9.753 -2.718 5.933 1.00 0.00 H new ATOM 0 HB THR A 24 -8.127 -1.205 3.861 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.662 -1.923 5.418 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.856 0.758 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.244 -0.161 4.533 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.782 -0.307 6.245 1.00 0.00 H new ATOM 387 N TYR A 25 -9.777 -2.779 2.608 1.00 0.00 N ATOM 388 CA TYR A 25 -10.642 -2.820 1.438 1.00 0.00 C ATOM 389 C TYR A 25 -10.534 -4.184 0.761 1.00 0.00 C ATOM 390 O TYR A 25 -9.656 -4.406 -0.082 1.00 0.00 O ATOM 391 CB TYR A 25 -10.265 -1.715 0.443 1.00 0.00 C ATOM 392 CG TYR A 25 -10.135 -0.328 1.052 1.00 0.00 C ATOM 393 CD1 TYR A 25 -10.890 0.060 2.153 1.00 0.00 C ATOM 394 CD2 TYR A 25 -9.248 0.596 0.516 1.00 0.00 C ATOM 395 CE1 TYR A 25 -10.763 1.324 2.695 1.00 0.00 C ATOM 396 CE2 TYR A 25 -9.115 1.859 1.057 1.00 0.00 C ATOM 397 CZ TYR A 25 -9.874 2.215 2.143 1.00 0.00 C ATOM 398 OH TYR A 25 -9.736 3.465 2.685 1.00 0.00 O ATOM 0 H TYR A 25 -8.780 -2.776 2.392 1.00 0.00 H new ATOM 0 HA TYR A 25 -11.669 -2.656 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.319 -1.979 -0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -11.018 -1.682 -0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.587 -0.638 2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -8.651 0.321 -0.341 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.359 1.611 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.417 2.563 0.628 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.997 3.933 2.244 1.00 0.00 H new ATOM 408 N THR A 26 -11.421 -5.085 1.149 1.00 0.00 N ATOM 409 CA THR A 26 -11.398 -6.465 0.686 1.00 0.00 C ATOM 410 C THR A 26 -11.999 -6.596 -0.719 1.00 0.00 C ATOM 411 O THR A 26 -11.990 -5.644 -1.501 1.00 0.00 O ATOM 412 CB THR A 26 -12.173 -7.346 1.682 1.00 0.00 C ATOM 413 OG1 THR A 26 -12.217 -6.681 2.950 1.00 0.00 O ATOM 414 CG2 THR A 26 -11.500 -8.705 1.852 1.00 0.00 C ATOM 0 H THR A 26 -12.181 -4.880 1.797 1.00 0.00 H new ATOM 0 HA THR A 26 -10.361 -6.795 0.630 1.00 0.00 H new ATOM 0 HB THR A 26 -13.180 -7.507 1.297 1.00 0.00 H new ATOM 0 HG1 THR A 26 -12.710 -7.233 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.069 -9.307 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.464 -9.216 0.890 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.486 -8.565 2.227 1.00 0.00 H new ATOM 422 N LYS A 27 -12.493 -7.784 -1.050 1.00 0.00 N ATOM 423 CA LYS A 27 -13.087 -8.019 -2.354 1.00 0.00 C ATOM 424 C LYS A 27 -14.538 -7.557 -2.376 1.00 0.00 C ATOM 425 O LYS A 27 -15.052 -7.158 -3.417 1.00 0.00 O ATOM 426 CB LYS A 27 -12.994 -9.498 -2.730 1.00 0.00 C ATOM 427 CG LYS A 27 -13.349 -10.439 -1.593 1.00 0.00 C ATOM 428 CD LYS A 27 -13.836 -11.792 -2.098 1.00 0.00 C ATOM 429 CE LYS A 27 -12.773 -12.534 -2.897 1.00 0.00 C ATOM 430 NZ LYS A 27 -11.589 -12.900 -2.074 1.00 0.00 N ATOM 0 H LYS A 27 -12.492 -8.596 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.530 -7.439 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.658 -9.692 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.980 -9.715 -3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.476 -10.583 -0.957 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.123 -9.984 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.141 -12.404 -1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.719 -11.647 -2.721 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.209 -13.438 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.452 -11.912 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.943 -13.489 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.095 -12.036 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.900 -13.431 -1.236 1.00 0.00 H new ATOM 444 N THR A 28 -15.197 -7.618 -1.225 1.00 0.00 N ATOM 445 CA THR A 28 -16.577 -7.172 -1.130 1.00 0.00 C ATOM 446 C THR A 28 -16.808 -6.312 0.116 1.00 0.00 C ATOM 447 O THR A 28 -17.703 -5.467 0.118 1.00 0.00 O ATOM 448 CB THR A 28 -17.556 -8.366 -1.130 1.00 0.00 C ATOM 449 OG1 THR A 28 -18.910 -7.903 -1.196 1.00 0.00 O ATOM 450 CG2 THR A 28 -17.373 -9.218 0.115 1.00 0.00 C ATOM 0 H THR A 28 -14.801 -7.969 -0.353 1.00 0.00 H new ATOM 0 HA THR A 28 -16.771 -6.561 -2.012 1.00 0.00 H new ATOM 0 HB THR A 28 -17.339 -8.975 -2.008 1.00 0.00 H new ATOM 0 HG1 THR A 28 -19.519 -8.671 -1.197 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.074 -10.052 0.091 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.353 -9.602 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.560 -8.612 1.001 1.00 0.00 H new ATOM 458 N GLY A 29 -16.026 -6.555 1.179 1.00 0.00 N ATOM 459 CA GLY A 29 -16.115 -5.765 2.385 1.00 0.00 C ATOM 460 C GLY A 29 -16.113 -4.272 2.108 1.00 0.00 C ATOM 461 O GLY A 29 -17.168 -3.640 2.030 1.00 0.00 O ATOM 0 H GLY A 29 -15.328 -7.298 1.213 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.026 -6.030 2.922 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.278 -6.011 3.038 1.00 0.00 H new ATOM 465 N LYS A 30 -14.924 -3.704 1.993 1.00 0.00 N ATOM 466 CA LYS A 30 -14.768 -2.372 1.434 1.00 0.00 C ATOM 467 C LYS A 30 -14.326 -2.507 -0.017 1.00 0.00 C ATOM 468 O LYS A 30 -13.384 -3.244 -0.306 1.00 0.00 O ATOM 469 CB LYS A 30 -13.715 -1.553 2.188 1.00 0.00 C ATOM 470 CG LYS A 30 -14.229 -0.243 2.760 1.00 0.00 C ATOM 471 CD LYS A 30 -14.729 -0.414 4.183 1.00 0.00 C ATOM 472 CE LYS A 30 -15.237 0.902 4.750 1.00 0.00 C ATOM 473 NZ LYS A 30 -15.659 0.772 6.172 1.00 0.00 N ATOM 0 H LYS A 30 -14.051 -4.146 2.280 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.724 -1.855 1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.316 -2.159 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.886 -1.340 1.513 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.433 0.501 2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.036 0.137 2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.529 -1.154 4.204 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -13.924 -0.797 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -14.454 1.656 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.079 1.253 4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.998 1.692 6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.424 0.071 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.850 0.462 6.747 1.00 0.00 H new ATOM 487 N PRO A 31 -14.998 -1.828 -0.950 1.00 0.00 N ATOM 488 CA PRO A 31 -14.563 -1.802 -2.343 1.00 0.00 C ATOM 489 C PRO A 31 -13.175 -1.189 -2.479 1.00 0.00 C ATOM 490 O PRO A 31 -12.787 -0.329 -1.687 1.00 0.00 O ATOM 491 CB PRO A 31 -15.607 -0.923 -3.042 1.00 0.00 C ATOM 492 CG PRO A 31 -16.784 -0.908 -2.127 1.00 0.00 C ATOM 493 CD PRO A 31 -16.232 -1.056 -0.737 1.00 0.00 C ATOM 0 HA PRO A 31 -14.492 -2.802 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -15.225 0.084 -3.208 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.873 -1.329 -4.018 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.344 0.022 -2.227 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.471 -1.721 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.028 -0.088 -0.279 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.927 -1.580 -0.081 1.00 0.00 H new ATOM 501 N LYS A 32 -12.425 -1.652 -3.468 1.00 0.00 N ATOM 502 CA LYS A 32 -11.121 -1.097 -3.762 1.00 0.00 C ATOM 503 C LYS A 32 -11.303 0.214 -4.522 1.00 0.00 C ATOM 504 O LYS A 32 -11.733 0.209 -5.674 1.00 0.00 O ATOM 505 CB LYS A 32 -10.275 -2.107 -4.555 1.00 0.00 C ATOM 506 CG LYS A 32 -8.939 -1.568 -5.064 1.00 0.00 C ATOM 507 CD LYS A 32 -7.918 -1.338 -3.951 1.00 0.00 C ATOM 508 CE LYS A 32 -7.482 -2.634 -3.305 1.00 0.00 C ATOM 509 NZ LYS A 32 -8.488 -3.158 -2.333 1.00 0.00 N ATOM 0 H LYS A 32 -12.704 -2.417 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.584 -0.890 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -10.083 -2.974 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.858 -2.457 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.525 -2.269 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.110 -0.629 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.047 -0.825 -4.359 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.349 -0.683 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.307 -3.381 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.533 -2.479 -2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.001 -3.496 -1.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.151 -2.399 -2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.013 -3.944 -2.767 1.00 0.00 H new ATOM 523 N PRO A 33 -11.033 1.340 -3.831 1.00 0.00 N ATOM 524 CA PRO A 33 -11.243 2.712 -4.311 1.00 0.00 C ATOM 525 C PRO A 33 -11.116 2.931 -5.815 1.00 0.00 C ATOM 526 O PRO A 33 -10.268 2.339 -6.484 1.00 0.00 O ATOM 527 CB PRO A 33 -10.110 3.423 -3.606 1.00 0.00 C ATOM 528 CG PRO A 33 -10.055 2.789 -2.271 1.00 0.00 C ATOM 529 CD PRO A 33 -10.482 1.366 -2.460 1.00 0.00 C ATOM 0 HA PRO A 33 -12.261 3.046 -4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -9.169 3.302 -4.143 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -10.298 4.494 -3.530 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.048 2.840 -1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.713 3.302 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.642 0.679 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.229 1.072 -1.723 1.00 0.00 H new ATOM 537 N SER A 34 -11.938 3.847 -6.316 1.00 0.00 N ATOM 538 CA SER A 34 -11.892 4.253 -7.713 1.00 0.00 C ATOM 539 C SER A 34 -10.896 5.396 -7.867 1.00 0.00 C ATOM 540 O SER A 34 -10.671 5.917 -8.957 1.00 0.00 O ATOM 541 CB SER A 34 -13.286 4.684 -8.174 1.00 0.00 C ATOM 542 OG SER A 34 -14.242 3.674 -7.892 1.00 0.00 O ATOM 0 H SER A 34 -12.651 4.326 -5.767 1.00 0.00 H new ATOM 0 HA SER A 34 -11.571 3.416 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.570 5.610 -7.674 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.273 4.891 -9.244 1.00 0.00 H new ATOM 0 HG SER A 34 -15.127 3.968 -8.192 1.00 0.00 H new ATOM 548 N THR A 35 -10.336 5.795 -6.736 1.00 0.00 N ATOM 549 CA THR A 35 -9.313 6.824 -6.675 1.00 0.00 C ATOM 550 C THR A 35 -8.496 6.636 -5.408 1.00 0.00 C ATOM 551 O THR A 35 -9.052 6.342 -4.347 1.00 0.00 O ATOM 552 CB THR A 35 -9.917 8.235 -6.677 1.00 0.00 C ATOM 553 OG1 THR A 35 -11.013 8.306 -7.600 1.00 0.00 O ATOM 554 CG2 THR A 35 -8.859 9.240 -7.080 1.00 0.00 C ATOM 0 H THR A 35 -10.583 5.408 -5.825 1.00 0.00 H new ATOM 0 HA THR A 35 -8.685 6.727 -7.561 1.00 0.00 H new ATOM 0 HB THR A 35 -10.280 8.462 -5.675 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.390 9.210 -7.591 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.290 10.241 -7.081 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.032 9.201 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 35 -8.493 9.002 -8.079 1.00 0.00 H new ATOM 562 N TRP A 36 -7.188 6.801 -5.516 1.00 0.00 N ATOM 563 CA TRP A 36 -6.309 6.667 -4.363 1.00 0.00 C ATOM 564 C TRP A 36 -6.574 7.804 -3.373 1.00 0.00 C ATOM 565 O TRP A 36 -6.285 7.699 -2.185 1.00 0.00 O ATOM 566 CB TRP A 36 -4.841 6.594 -4.817 1.00 0.00 C ATOM 567 CG TRP A 36 -3.824 6.885 -3.755 1.00 0.00 C ATOM 568 CD1 TRP A 36 -2.917 7.909 -3.746 1.00 0.00 C ATOM 569 CD2 TRP A 36 -3.602 6.142 -2.555 1.00 0.00 C ATOM 570 NE1 TRP A 36 -2.135 7.837 -2.618 1.00 0.00 N ATOM 571 CE2 TRP A 36 -2.545 6.764 -1.870 1.00 0.00 C ATOM 572 CE3 TRP A 36 -4.195 5.007 -1.995 1.00 0.00 C ATOM 573 CZ2 TRP A 36 -2.075 6.290 -0.652 1.00 0.00 C ATOM 574 CZ3 TRP A 36 -3.724 4.537 -0.786 1.00 0.00 C ATOM 575 CH2 TRP A 36 -2.673 5.178 -0.127 1.00 0.00 C ATOM 0 H TRP A 36 -6.711 7.028 -6.388 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.519 5.734 -3.841 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.651 5.597 -5.215 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.697 7.298 -5.637 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.828 8.664 -4.513 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.376 8.475 -2.378 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.008 4.506 -2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.264 6.783 -0.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.175 3.661 -0.343 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.325 4.787 0.818 1.00 0.00 H new ATOM 586 N ASP A 37 -7.187 8.861 -3.880 1.00 0.00 N ATOM 587 CA ASP A 37 -7.567 10.022 -3.082 1.00 0.00 C ATOM 588 C ASP A 37 -8.484 9.656 -1.903 1.00 0.00 C ATOM 589 O ASP A 37 -8.151 9.898 -0.730 1.00 0.00 O ATOM 590 CB ASP A 37 -8.293 11.000 -4.008 1.00 0.00 C ATOM 591 CG ASP A 37 -7.358 11.937 -4.740 1.00 0.00 C ATOM 592 OD1 ASP A 37 -6.971 12.973 -4.168 1.00 0.00 O ATOM 593 OD2 ASP A 37 -7.024 11.648 -5.905 1.00 0.00 O ATOM 0 H ASP A 37 -7.438 8.941 -4.865 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.666 10.461 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.875 10.436 -4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.000 11.588 -3.422 1.00 0.00 H new ATOM 598 N LEU A 38 -9.606 9.009 -2.207 1.00 0.00 N ATOM 599 CA LEU A 38 -10.556 8.608 -1.172 1.00 0.00 C ATOM 600 C LEU A 38 -9.960 7.499 -0.322 1.00 0.00 C ATOM 601 O LEU A 38 -10.212 7.404 0.884 1.00 0.00 O ATOM 602 CB LEU A 38 -11.884 8.147 -1.795 1.00 0.00 C ATOM 603 CG LEU A 38 -11.759 7.152 -2.955 1.00 0.00 C ATOM 604 CD1 LEU A 38 -12.537 5.873 -2.677 1.00 0.00 C ATOM 605 CD2 LEU A 38 -12.254 7.785 -4.241 1.00 0.00 C ATOM 0 H LEU A 38 -9.879 8.752 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.760 9.471 -0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.493 7.693 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.423 9.025 -2.149 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.705 6.893 -3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.427 5.190 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.150 5.401 -1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.592 6.111 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.161 7.070 -5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.300 8.071 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.658 8.670 -4.464 1.00 0.00 H new ATOM 617 N ALA A 39 -9.127 6.694 -0.958 1.00 0.00 N ATOM 618 CA ALA A 39 -8.518 5.565 -0.302 1.00 0.00 C ATOM 619 C ALA A 39 -7.573 6.036 0.768 1.00 0.00 C ATOM 620 O ALA A 39 -7.675 5.626 1.910 1.00 0.00 O ATOM 621 CB ALA A 39 -7.770 4.725 -1.306 1.00 0.00 C ATOM 0 H ALA A 39 -8.859 6.808 -1.936 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.302 4.962 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.313 3.874 -0.800 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.462 4.366 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.993 5.327 -1.777 1.00 0.00 H new ATOM 627 N SER A 40 -6.688 6.933 0.385 1.00 0.00 N ATOM 628 CA SER A 40 -5.650 7.413 1.266 1.00 0.00 C ATOM 629 C SER A 40 -6.223 8.118 2.492 1.00 0.00 C ATOM 630 O SER A 40 -5.749 7.899 3.610 1.00 0.00 O ATOM 631 CB SER A 40 -4.718 8.344 0.502 1.00 0.00 C ATOM 632 OG SER A 40 -5.421 9.441 -0.053 1.00 0.00 O ATOM 0 H SER A 40 -6.670 7.348 -0.546 1.00 0.00 H new ATOM 0 HA SER A 40 -5.088 6.551 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.939 8.710 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.220 7.790 -0.293 1.00 0.00 H new ATOM 0 HG SER A 40 -5.886 9.154 -0.867 1.00 0.00 H new ATOM 638 N LYS A 41 -7.244 8.952 2.299 1.00 0.00 N ATOM 639 CA LYS A 41 -7.814 9.681 3.430 1.00 0.00 C ATOM 640 C LYS A 41 -8.529 8.738 4.402 1.00 0.00 C ATOM 641 O LYS A 41 -8.527 8.973 5.611 1.00 0.00 O ATOM 642 CB LYS A 41 -8.746 10.813 2.978 1.00 0.00 C ATOM 643 CG LYS A 41 -10.027 10.375 2.290 1.00 0.00 C ATOM 644 CD LYS A 41 -11.108 11.431 2.469 1.00 0.00 C ATOM 645 CE LYS A 41 -10.627 12.792 1.992 1.00 0.00 C ATOM 646 NZ LYS A 41 -11.443 13.909 2.535 1.00 0.00 N ATOM 0 H LYS A 41 -7.683 9.137 1.397 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.979 10.141 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.010 11.412 3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.195 11.464 2.299 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.841 10.211 1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.364 9.425 2.704 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.000 11.141 1.913 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.393 11.490 3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.587 12.930 2.288 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.656 12.822 0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.073 14.814 2.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.432 13.796 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.396 13.900 3.574 1.00 0.00 H new ATOM 660 N GLU A 42 -9.132 7.674 3.882 1.00 0.00 N ATOM 661 CA GLU A 42 -9.774 6.681 4.733 1.00 0.00 C ATOM 662 C GLU A 42 -8.723 5.689 5.259 1.00 0.00 C ATOM 663 O GLU A 42 -8.909 5.042 6.290 1.00 0.00 O ATOM 664 CB GLU A 42 -10.869 5.959 3.942 1.00 0.00 C ATOM 665 CG GLU A 42 -11.860 5.178 4.792 1.00 0.00 C ATOM 666 CD GLU A 42 -12.794 6.068 5.588 1.00 0.00 C ATOM 667 OE1 GLU A 42 -13.640 6.749 4.972 1.00 0.00 O ATOM 668 OE2 GLU A 42 -12.698 6.083 6.834 1.00 0.00 O ATOM 0 H GLU A 42 -9.189 7.479 2.883 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.236 7.172 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.417 6.694 3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.397 5.274 3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.450 4.528 4.146 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.311 4.532 5.478 1.00 0.00 H new ATOM 675 N LEU A 43 -7.611 5.598 4.532 1.00 0.00 N ATOM 676 CA LEU A 43 -6.518 4.688 4.857 1.00 0.00 C ATOM 677 C LEU A 43 -5.705 5.232 6.022 1.00 0.00 C ATOM 678 O LEU A 43 -5.144 4.467 6.810 1.00 0.00 O ATOM 679 CB LEU A 43 -5.608 4.513 3.630 1.00 0.00 C ATOM 680 CG LEU A 43 -5.080 3.098 3.374 1.00 0.00 C ATOM 681 CD1 LEU A 43 -4.387 2.538 4.602 1.00 0.00 C ATOM 682 CD2 LEU A 43 -6.217 2.191 2.937 1.00 0.00 C ATOM 0 H LEU A 43 -7.443 6.158 3.696 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.938 3.723 5.141 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.158 4.838 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.755 5.182 3.738 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.341 3.147 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.024 1.533 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.546 3.178 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.092 2.500 5.432 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.833 1.187 2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.975 2.155 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.660 2.579 2.020 1.00 0.00 H new ATOM 694 N GLY A 44 -5.631 6.556 6.116 1.00 0.00 N ATOM 695 CA GLY A 44 -4.868 7.177 7.175 1.00 0.00 C ATOM 696 C GLY A 44 -5.437 6.847 8.535 1.00 0.00 C ATOM 697 O GLY A 44 -6.333 7.526 9.038 1.00 0.00 O ATOM 0 H GLY A 44 -6.087 7.207 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.832 6.843 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.862 8.258 7.035 1.00 0.00 H new ATOM 701 N GLU A 45 -4.862 5.812 9.123 1.00 0.00 N ATOM 702 CA GLU A 45 -5.352 5.171 10.307 1.00 0.00 C ATOM 703 C GLU A 45 -4.488 3.944 10.538 1.00 0.00 C ATOM 704 O GLU A 45 -4.076 3.643 11.659 1.00 0.00 O ATOM 705 CB GLU A 45 -6.829 4.770 10.155 1.00 0.00 C ATOM 706 CG GLU A 45 -7.375 3.932 11.305 1.00 0.00 C ATOM 707 CD GLU A 45 -7.332 4.646 12.639 1.00 0.00 C ATOM 708 OE1 GLU A 45 -8.061 5.647 12.804 1.00 0.00 O ATOM 709 OE2 GLU A 45 -6.591 4.193 13.537 1.00 0.00 O ATOM 0 H GLU A 45 -4.007 5.386 8.765 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.298 5.853 11.155 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.431 5.674 10.063 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.948 4.212 9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.405 3.651 11.084 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.801 3.008 11.377 1.00 0.00 H new ATOM 716 N SER A 46 -4.199 3.257 9.441 1.00 0.00 N ATOM 717 CA SER A 46 -3.290 2.129 9.463 1.00 0.00 C ATOM 718 C SER A 46 -1.906 2.567 9.014 1.00 0.00 C ATOM 719 O SER A 46 -1.754 3.262 8.008 1.00 0.00 O ATOM 720 CB SER A 46 -3.825 1.015 8.581 1.00 0.00 C ATOM 721 OG SER A 46 -5.066 0.546 9.069 1.00 0.00 O ATOM 0 H SER A 46 -4.586 3.467 8.521 1.00 0.00 H new ATOM 0 HA SER A 46 -3.211 1.749 10.481 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.943 1.377 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.108 0.195 8.547 1.00 0.00 H new ATOM 0 HG SER A 46 -5.397 -0.170 8.488 1.00 0.00 H new ATOM 727 N LEU A 47 -0.899 2.140 9.756 1.00 0.00 N ATOM 728 CA LEU A 47 0.430 2.723 9.646 1.00 0.00 C ATOM 729 C LEU A 47 1.192 2.213 8.443 1.00 0.00 C ATOM 730 O LEU A 47 2.276 2.710 8.161 1.00 0.00 O ATOM 731 CB LEU A 47 1.281 2.440 10.891 1.00 0.00 C ATOM 732 CG LEU A 47 0.552 2.394 12.237 1.00 0.00 C ATOM 733 CD1 LEU A 47 -0.461 3.521 12.365 1.00 0.00 C ATOM 734 CD2 LEU A 47 -0.105 1.038 12.416 1.00 0.00 C ATOM 0 H LEU A 47 -0.975 1.390 10.443 1.00 0.00 H new ATOM 0 HA LEU A 47 0.261 3.795 9.539 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.785 1.485 10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.056 3.204 10.952 1.00 0.00 H new ATOM 0 HG LEU A 47 1.284 2.538 13.032 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.958 3.455 13.333 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.050 4.480 12.284 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.202 3.436 11.570 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.623 1.008 13.375 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.821 0.872 11.611 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.657 0.259 12.391 1.00 0.00 H new ATOM 746 N GLU A 48 0.655 1.249 7.708 1.00 0.00 N ATOM 747 CA GLU A 48 1.435 0.703 6.617 1.00 0.00 C ATOM 748 C GLU A 48 1.340 1.623 5.423 1.00 0.00 C ATOM 749 O GLU A 48 2.197 1.622 4.543 1.00 0.00 O ATOM 750 CB GLU A 48 0.931 -0.680 6.242 1.00 0.00 C ATOM 751 CG GLU A 48 2.033 -1.622 5.847 1.00 0.00 C ATOM 752 CD GLU A 48 3.023 -1.816 6.970 1.00 0.00 C ATOM 753 OE1 GLU A 48 2.590 -2.198 8.079 1.00 0.00 O ATOM 754 OE2 GLU A 48 4.228 -1.581 6.758 1.00 0.00 O ATOM 0 H GLU A 48 -0.273 0.847 7.840 1.00 0.00 H new ATOM 0 HA GLU A 48 2.475 0.619 6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.385 -1.102 7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.224 -0.591 5.417 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.607 -2.585 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.549 -1.233 4.969 1.00 0.00 H new ATOM 761 N TYR A 49 0.352 2.498 5.456 1.00 0.00 N ATOM 762 CA TYR A 49 0.269 3.540 4.460 1.00 0.00 C ATOM 763 C TYR A 49 1.104 4.722 4.917 1.00 0.00 C ATOM 764 O TYR A 49 1.468 5.592 4.128 1.00 0.00 O ATOM 765 CB TYR A 49 -1.209 3.892 4.213 1.00 0.00 C ATOM 766 CG TYR A 49 -1.530 5.357 4.046 1.00 0.00 C ATOM 767 CD1 TYR A 49 -1.228 6.029 2.868 1.00 0.00 C ATOM 768 CD2 TYR A 49 -2.159 6.062 5.066 1.00 0.00 C ATOM 769 CE1 TYR A 49 -1.540 7.367 2.718 1.00 0.00 C ATOM 770 CE2 TYR A 49 -2.477 7.395 4.924 1.00 0.00 C ATOM 771 CZ TYR A 49 -2.167 8.043 3.748 1.00 0.00 C ATOM 772 OH TYR A 49 -2.489 9.374 3.602 1.00 0.00 O ATOM 0 H TYR A 49 -0.393 2.506 6.153 1.00 0.00 H new ATOM 0 HA TYR A 49 0.675 3.211 3.503 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.541 3.365 3.318 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.796 3.506 5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.744 5.500 2.060 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.403 5.555 5.988 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.295 7.882 1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.965 7.927 5.727 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.926 9.696 4.418 1.00 0.00 H new ATOM 782 N LYS A 50 1.466 4.704 6.191 1.00 0.00 N ATOM 783 CA LYS A 50 2.435 5.636 6.702 1.00 0.00 C ATOM 784 C LYS A 50 3.837 5.051 6.529 1.00 0.00 C ATOM 785 O LYS A 50 4.839 5.741 6.710 1.00 0.00 O ATOM 786 CB LYS A 50 2.114 5.953 8.160 1.00 0.00 C ATOM 787 CG LYS A 50 2.054 7.442 8.451 1.00 0.00 C ATOM 788 CD LYS A 50 1.950 7.714 9.941 1.00 0.00 C ATOM 789 CE LYS A 50 0.587 7.336 10.487 1.00 0.00 C ATOM 790 NZ LYS A 50 0.541 7.449 11.966 1.00 0.00 N ATOM 0 H LYS A 50 1.098 4.051 6.883 1.00 0.00 H new ATOM 0 HA LYS A 50 2.397 6.574 6.147 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.158 5.500 8.421 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.869 5.495 8.799 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.945 7.928 8.053 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.197 7.880 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.721 7.153 10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.138 8.771 10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.173 7.982 10.048 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.346 6.315 10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.405 7.183 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.250 6.814 12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.746 8.429 12.246 1.00 0.00 H new ATOM 804 N ALA A 51 3.893 3.770 6.145 1.00 0.00 N ATOM 805 CA ALA A 51 5.161 3.112 5.844 1.00 0.00 C ATOM 806 C ALA A 51 5.617 3.456 4.442 1.00 0.00 C ATOM 807 O ALA A 51 6.710 3.081 4.014 1.00 0.00 O ATOM 808 CB ALA A 51 5.038 1.605 5.999 1.00 0.00 C ATOM 0 H ALA A 51 3.073 3.173 6.037 1.00 0.00 H new ATOM 0 HA ALA A 51 5.906 3.472 6.554 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.995 1.136 5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.754 1.367 7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.277 1.230 5.315 1.00 0.00 H new ATOM 814 N LEU A 52 4.775 4.187 3.735 1.00 0.00 N ATOM 815 CA LEU A 52 5.041 4.527 2.354 1.00 0.00 C ATOM 816 C LEU A 52 5.013 6.030 2.157 1.00 0.00 C ATOM 817 O LEU A 52 4.801 6.518 1.049 1.00 0.00 O ATOM 818 CB LEU A 52 4.031 3.862 1.425 1.00 0.00 C ATOM 819 CG LEU A 52 4.081 2.338 1.363 1.00 0.00 C ATOM 820 CD1 LEU A 52 3.022 1.851 0.398 1.00 0.00 C ATOM 821 CD2 LEU A 52 5.459 1.858 0.934 1.00 0.00 C ATOM 0 H LEU A 52 3.897 4.557 4.099 1.00 0.00 H new ATOM 0 HA LEU A 52 6.036 4.158 2.106 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.030 4.160 1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.182 4.252 0.418 1.00 0.00 H new ATOM 0 HG LEU A 52 3.885 1.930 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.050 0.763 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.040 2.173 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.213 2.266 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.470 0.769 0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.692 2.257 -0.053 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.204 2.204 1.650 1.00 0.00 H new ATOM 833 N GLY A 53 5.244 6.763 3.238 1.00 0.00 N ATOM 834 CA GLY A 53 5.355 8.210 3.153 1.00 0.00 C ATOM 835 C GLY A 53 6.713 8.637 2.638 1.00 0.00 C ATOM 836 O GLY A 53 7.276 9.643 3.070 1.00 0.00 O ATOM 0 H GLY A 53 5.357 6.381 4.177 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.578 8.597 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.185 8.647 4.137 1.00 0.00 H new ATOM 840 N ASP A 54 7.206 7.873 1.684 1.00 0.00 N ATOM 841 CA ASP A 54 8.529 8.051 1.121 1.00 0.00 C ATOM 842 C ASP A 54 8.541 7.438 -0.269 1.00 0.00 C ATOM 843 O ASP A 54 9.330 7.811 -1.140 1.00 0.00 O ATOM 844 CB ASP A 54 9.577 7.377 2.018 1.00 0.00 C ATOM 845 CG ASP A 54 9.408 5.863 2.138 1.00 0.00 C ATOM 846 OD1 ASP A 54 8.264 5.365 2.068 1.00 0.00 O ATOM 847 OD2 ASP A 54 10.427 5.163 2.333 1.00 0.00 O ATOM 0 H ASP A 54 6.689 7.097 1.271 1.00 0.00 H new ATOM 0 HA ASP A 54 8.774 9.111 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.570 7.592 1.624 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.527 7.818 3.013 1.00 0.00 H new ATOM 852 N GLU A 55 7.636 6.489 -0.446 1.00 0.00 N ATOM 853 CA GLU A 55 7.436 5.798 -1.699 1.00 0.00 C ATOM 854 C GLU A 55 5.977 5.955 -2.116 1.00 0.00 C ATOM 855 O GLU A 55 5.289 4.983 -2.434 1.00 0.00 O ATOM 856 CB GLU A 55 7.828 4.336 -1.502 1.00 0.00 C ATOM 857 CG GLU A 55 8.489 3.713 -2.712 1.00 0.00 C ATOM 858 CD GLU A 55 9.375 4.684 -3.469 1.00 0.00 C ATOM 859 OE1 GLU A 55 8.839 5.541 -4.210 1.00 0.00 O ATOM 860 OE2 GLU A 55 10.608 4.602 -3.326 1.00 0.00 O ATOM 0 H GLU A 55 7.010 6.175 0.295 1.00 0.00 H new ATOM 0 HA GLU A 55 8.054 6.213 -2.495 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.506 4.263 -0.651 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.937 3.761 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.085 2.858 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.720 3.332 -3.384 1.00 0.00 H new ATOM 867 N ASP A 56 5.518 7.209 -2.114 1.00 0.00 N ATOM 868 CA ASP A 56 4.120 7.535 -2.398 1.00 0.00 C ATOM 869 C ASP A 56 3.686 7.029 -3.755 1.00 0.00 C ATOM 870 O ASP A 56 2.632 6.416 -3.861 1.00 0.00 O ATOM 871 CB ASP A 56 3.865 9.042 -2.336 1.00 0.00 C ATOM 872 CG ASP A 56 2.494 9.415 -2.882 1.00 0.00 C ATOM 873 OD1 ASP A 56 1.491 8.798 -2.467 1.00 0.00 O ATOM 874 OD2 ASP A 56 2.416 10.325 -3.725 1.00 0.00 O ATOM 0 H ASP A 56 6.102 8.022 -1.917 1.00 0.00 H new ATOM 0 HA ASP A 56 3.535 7.036 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.948 9.381 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.635 9.563 -2.905 1.00 0.00 H new ATOM 879 N ASN A 57 4.503 7.244 -4.790 1.00 0.00 N ATOM 880 CA ASN A 57 4.061 6.928 -6.142 1.00 0.00 C ATOM 881 C ASN A 57 3.966 5.425 -6.279 1.00 0.00 C ATOM 882 O ASN A 57 3.121 4.907 -7.004 1.00 0.00 O ATOM 883 CB ASN A 57 4.978 7.534 -7.222 1.00 0.00 C ATOM 884 CG ASN A 57 6.354 6.897 -7.302 1.00 0.00 C ATOM 885 OD1 ASN A 57 6.852 6.615 -8.393 1.00 0.00 O ATOM 886 ND2 ASN A 57 7.001 6.714 -6.163 1.00 0.00 N ATOM 0 H ASN A 57 5.447 7.625 -4.719 1.00 0.00 H new ATOM 0 HA ASN A 57 3.081 7.378 -6.302 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.490 7.439 -8.192 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.095 8.600 -7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.945 6.327 -6.169 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.556 6.959 -5.279 1.00 0.00 H new ATOM 893 N ILE A 58 4.820 4.731 -5.540 1.00 0.00 N ATOM 894 CA ILE A 58 4.697 3.302 -5.402 1.00 0.00 C ATOM 895 C ILE A 58 3.374 2.973 -4.723 1.00 0.00 C ATOM 896 O ILE A 58 2.547 2.270 -5.283 1.00 0.00 O ATOM 897 CB ILE A 58 5.890 2.719 -4.599 1.00 0.00 C ATOM 898 CG1 ILE A 58 7.032 2.368 -5.544 1.00 0.00 C ATOM 899 CG2 ILE A 58 5.496 1.489 -3.792 1.00 0.00 C ATOM 900 CD1 ILE A 58 7.595 3.535 -6.306 1.00 0.00 C ATOM 0 H ILE A 58 5.602 5.142 -5.030 1.00 0.00 H new ATOM 0 HA ILE A 58 4.714 2.846 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 58 6.212 3.486 -3.895 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.834 1.906 -4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 58 6.680 1.621 -6.256 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.364 1.118 -3.248 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.710 1.754 -3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.131 0.713 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 58 8.402 3.192 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.810 3.986 -6.913 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.981 4.275 -5.605 1.00 0.00 H new ATOM 912 N ARG A 59 3.150 3.591 -3.568 1.00 0.00 N ATOM 913 CA ARG A 59 1.973 3.330 -2.741 1.00 0.00 C ATOM 914 C ARG A 59 0.660 3.540 -3.501 1.00 0.00 C ATOM 915 O ARG A 59 -0.195 2.655 -3.512 1.00 0.00 O ATOM 916 CB ARG A 59 2.028 4.232 -1.509 1.00 0.00 C ATOM 917 CG ARG A 59 0.741 4.264 -0.705 1.00 0.00 C ATOM 918 CD ARG A 59 0.800 5.295 0.397 1.00 0.00 C ATOM 919 NE ARG A 59 1.250 6.588 -0.101 1.00 0.00 N ATOM 920 CZ ARG A 59 1.576 7.618 0.666 1.00 0.00 C ATOM 921 NH1 ARG A 59 1.679 7.490 1.985 1.00 0.00 N ATOM 922 NH2 ARG A 59 1.808 8.782 0.095 1.00 0.00 N ATOM 0 H ARG A 59 3.781 4.290 -3.176 1.00 0.00 H new ATOM 0 HA ARG A 59 1.992 2.281 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.839 3.897 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.271 5.246 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.097 4.485 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.556 3.280 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.186 5.402 0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 59 1.475 4.952 1.181 1.00 0.00 H new ATOM 0 HE ARG A 59 1.319 6.709 -1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.506 6.586 2.425 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.931 8.296 2.557 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.735 8.877 -0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.060 9.589 0.666 1.00 0.00 H new ATOM 936 N ARG A 60 0.501 4.698 -4.142 1.00 0.00 N ATOM 937 CA ARG A 60 -0.688 4.953 -4.955 1.00 0.00 C ATOM 938 C ARG A 60 -0.810 3.946 -6.103 1.00 0.00 C ATOM 939 O ARG A 60 -1.912 3.486 -6.418 1.00 0.00 O ATOM 940 CB ARG A 60 -0.670 6.382 -5.501 1.00 0.00 C ATOM 941 CG ARG A 60 0.711 6.857 -5.888 1.00 0.00 C ATOM 942 CD ARG A 60 0.678 8.090 -6.749 1.00 0.00 C ATOM 943 NE ARG A 60 0.815 9.282 -5.943 1.00 0.00 N ATOM 944 CZ ARG A 60 0.707 10.503 -6.405 1.00 0.00 C ATOM 945 NH1 ARG A 60 0.295 10.735 -7.642 1.00 0.00 N ATOM 946 NH2 ARG A 60 1.007 11.503 -5.619 1.00 0.00 N ATOM 0 H ARG A 60 1.172 5.466 -4.115 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.559 4.833 -4.311 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.323 6.439 -6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.081 7.056 -4.749 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.286 7.064 -4.986 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.229 6.060 -6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.482 8.048 -7.484 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.259 8.127 -7.304 1.00 0.00 H new ATOM 0 HE ARG A 60 1.009 9.165 -4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.055 9.955 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.218 11.693 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.319 11.325 -4.664 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.929 12.461 -5.960 1.00 0.00 H new ATOM 960 N GLN A 61 0.318 3.589 -6.718 1.00 0.00 N ATOM 961 CA GLN A 61 0.290 2.675 -7.852 1.00 0.00 C ATOM 962 C GLN A 61 -0.043 1.250 -7.434 1.00 0.00 C ATOM 963 O GLN A 61 -0.946 0.655 -8.011 1.00 0.00 O ATOM 964 CB GLN A 61 1.605 2.698 -8.636 1.00 0.00 C ATOM 965 CG GLN A 61 1.693 3.865 -9.602 1.00 0.00 C ATOM 966 CD GLN A 61 0.386 4.092 -10.338 1.00 0.00 C ATOM 967 OE1 GLN A 61 0.055 5.219 -10.698 1.00 0.00 O ATOM 968 NE2 GLN A 61 -0.365 3.023 -10.571 1.00 0.00 N ATOM 0 H GLN A 61 1.247 3.915 -6.453 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.507 3.030 -8.506 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.439 2.748 -7.936 1.00 0.00 H new ATOM 0 HB3 GLN A 61 1.709 1.765 -9.190 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.963 4.769 -9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.488 3.679 -10.324 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.055 2.104 -10.256 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.252 3.121 -11.065 1.00 0.00 H new ATOM 977 N ILE A 62 0.657 0.692 -6.433 1.00 0.00 N ATOM 978 CA ILE A 62 0.348 -0.673 -6.007 1.00 0.00 C ATOM 979 C ILE A 62 -1.095 -0.748 -5.596 1.00 0.00 C ATOM 980 O ILE A 62 -1.781 -1.688 -5.945 1.00 0.00 O ATOM 981 CB ILE A 62 1.174 -1.234 -4.826 1.00 0.00 C ATOM 982 CG1 ILE A 62 2.340 -0.352 -4.445 1.00 0.00 C ATOM 983 CG2 ILE A 62 1.683 -2.616 -5.186 1.00 0.00 C ATOM 984 CD1 ILE A 62 2.735 -0.493 -2.989 1.00 0.00 C ATOM 0 H ILE A 62 1.413 1.149 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 62 0.599 -1.280 -6.877 1.00 0.00 H new ATOM 0 HB ILE A 62 0.512 -1.274 -3.961 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.196 -0.598 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.084 0.688 -4.648 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.266 -3.016 -4.357 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.838 -3.274 -5.386 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.312 -2.552 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.578 0.165 -2.775 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.891 -0.220 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 62 3.021 -1.526 -2.788 1.00 0.00 H new ATOM 996 N PHE A 63 -1.552 0.260 -4.864 1.00 0.00 N ATOM 997 CA PHE A 63 -2.924 0.289 -4.400 1.00 0.00 C ATOM 998 C PHE A 63 -3.913 0.094 -5.554 1.00 0.00 C ATOM 999 O PHE A 63 -4.796 -0.771 -5.489 1.00 0.00 O ATOM 1000 CB PHE A 63 -3.219 1.592 -3.666 1.00 0.00 C ATOM 1001 CG PHE A 63 -4.653 1.985 -3.780 1.00 0.00 C ATOM 1002 CD1 PHE A 63 -5.615 1.270 -3.097 1.00 0.00 C ATOM 1003 CD2 PHE A 63 -5.049 3.015 -4.619 1.00 0.00 C ATOM 1004 CE1 PHE A 63 -6.943 1.581 -3.232 1.00 0.00 C ATOM 1005 CE2 PHE A 63 -6.378 3.321 -4.764 1.00 0.00 C ATOM 1006 CZ PHE A 63 -7.323 2.598 -4.069 1.00 0.00 C ATOM 0 H PHE A 63 -0.991 1.064 -4.582 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.051 -0.541 -3.705 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.955 1.483 -2.614 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.592 2.386 -4.071 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.319 0.458 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.306 3.580 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.688 1.026 -2.681 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.682 4.124 -5.419 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.370 2.834 -4.185 1.00 0.00 H new ATOM 1016 N GLU A 64 -3.754 0.885 -6.604 1.00 0.00 N ATOM 1017 CA GLU A 64 -4.622 0.786 -7.771 1.00 0.00 C ATOM 1018 C GLU A 64 -4.374 -0.534 -8.499 1.00 0.00 C ATOM 1019 O GLU A 64 -5.303 -1.184 -8.978 1.00 0.00 O ATOM 1020 CB GLU A 64 -4.375 1.972 -8.711 1.00 0.00 C ATOM 1021 CG GLU A 64 -5.110 1.878 -10.038 1.00 0.00 C ATOM 1022 CD GLU A 64 -6.615 1.991 -9.905 1.00 0.00 C ATOM 1023 OE1 GLU A 64 -7.122 3.132 -9.815 1.00 0.00 O ATOM 1024 OE2 GLU A 64 -7.299 0.948 -9.939 1.00 0.00 O ATOM 0 H GLU A 64 -3.033 1.603 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.661 0.812 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.675 2.890 -8.206 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.305 2.051 -8.906 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.752 2.667 -10.699 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.866 0.928 -10.513 1.00 0.00 H new ATOM 1031 N ASP A 65 -3.116 -0.936 -8.536 1.00 0.00 N ATOM 1032 CA ASP A 65 -2.691 -2.136 -9.246 1.00 0.00 C ATOM 1033 C ASP A 65 -2.964 -3.412 -8.451 1.00 0.00 C ATOM 1034 O ASP A 65 -2.749 -4.512 -8.957 1.00 0.00 O ATOM 1035 CB ASP A 65 -1.200 -2.053 -9.604 1.00 0.00 C ATOM 1036 CG ASP A 65 -0.950 -1.292 -10.894 1.00 0.00 C ATOM 1037 OD1 ASP A 65 -1.296 -1.819 -11.973 1.00 0.00 O ATOM 1038 OD2 ASP A 65 -0.403 -0.170 -10.842 1.00 0.00 O ATOM 0 H ASP A 65 -2.355 -0.439 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.282 -2.186 -10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.661 -1.568 -8.790 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.796 -3.061 -9.697 1.00 0.00 H new ATOM 1043 N PHE A 66 -3.412 -3.271 -7.203 1.00 0.00 N ATOM 1044 CA PHE A 66 -3.564 -4.413 -6.313 1.00 0.00 C ATOM 1045 C PHE A 66 -4.571 -5.408 -6.853 1.00 0.00 C ATOM 1046 O PHE A 66 -4.259 -6.584 -7.039 1.00 0.00 O ATOM 1047 CB PHE A 66 -4.039 -3.937 -4.943 1.00 0.00 C ATOM 1048 CG PHE A 66 -2.977 -3.481 -3.979 1.00 0.00 C ATOM 1049 CD1 PHE A 66 -1.666 -3.926 -4.060 1.00 0.00 C ATOM 1050 CD2 PHE A 66 -3.320 -2.617 -2.951 1.00 0.00 C ATOM 1051 CE1 PHE A 66 -0.723 -3.505 -3.137 1.00 0.00 C ATOM 1052 CE2 PHE A 66 -2.389 -2.200 -2.029 1.00 0.00 C ATOM 1053 CZ PHE A 66 -1.085 -2.643 -2.121 1.00 0.00 C ATOM 0 H PHE A 66 -3.675 -2.376 -6.790 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.593 -4.903 -6.235 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.738 -3.114 -5.093 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -4.597 -4.749 -4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.378 -4.606 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.338 -2.265 -2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.297 -3.852 -3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.677 -1.527 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 66 -0.350 -2.316 -1.400 1.00 0.00 H new ATOM 1063 N LYS A 67 -5.761 -4.901 -7.135 1.00 0.00 N ATOM 1064 CA LYS A 67 -6.865 -5.692 -7.664 1.00 0.00 C ATOM 1065 C LYS A 67 -7.285 -6.785 -6.683 1.00 0.00 C ATOM 1066 O LYS A 67 -6.567 -7.757 -6.474 1.00 0.00 O ATOM 1067 CB LYS A 67 -6.502 -6.283 -9.034 1.00 0.00 C ATOM 1068 CG LYS A 67 -6.009 -5.246 -10.035 1.00 0.00 C ATOM 1069 CD LYS A 67 -6.763 -3.937 -9.893 1.00 0.00 C ATOM 1070 CE LYS A 67 -6.605 -3.052 -11.120 1.00 0.00 C ATOM 1071 NZ LYS A 67 -7.239 -1.719 -10.930 1.00 0.00 N ATOM 0 H LYS A 67 -5.992 -3.916 -7.002 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.720 -5.029 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.731 -7.042 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.376 -6.787 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.943 -5.072 -9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.130 -5.630 -11.048 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.821 -4.144 -9.729 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.402 -3.404 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.545 -2.922 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.051 -3.546 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.244 -1.205 -11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.216 -1.844 -10.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.700 -1.176 -10.226 1.00 0.00 H new ATOM 1085 N PRO A 68 -8.463 -6.623 -6.055 1.00 0.00 N ATOM 1086 CA PRO A 68 -8.908 -7.510 -4.976 1.00 0.00 C ATOM 1087 C PRO A 68 -9.288 -8.921 -5.444 1.00 0.00 C ATOM 1088 O PRO A 68 -8.787 -9.410 -6.456 1.00 0.00 O ATOM 1089 CB PRO A 68 -10.125 -6.787 -4.392 1.00 0.00 C ATOM 1090 CG PRO A 68 -10.598 -5.854 -5.457 1.00 0.00 C ATOM 1091 CD PRO A 68 -9.443 -5.562 -6.347 1.00 0.00 C ATOM 0 HA PRO A 68 -8.105 -7.681 -4.259 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.906 -7.496 -4.119 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.858 -6.242 -3.486 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.414 -6.303 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.984 -4.935 -5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.739 -5.575 -7.396 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -9.028 -4.574 -6.145 1.00 0.00 H new