USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 GLN : amide:sc= -3.04! K(o=-3!,f=-0.65) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.787 X(o=-0.79,f=-0.31) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -2 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 110:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.66) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0822 K(o=-0.082,f=-0.66) USER MOD Single : A 45 SER OG : rot -121:sc= 1.41 USER MOD Single : A 57 LYS NZ :NH3+ 167:sc=-0.000318 (180deg=-0.0874) USER MOD Single : A 58 HIS : no HE2:sc= -2.31! C(o=-2.3!,f=-3.9!) USER MOD Single : A 64 SER OG : rot -130:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.124 K(o=0.12,f=-1.9) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -1.24! USER MOD Single : A 89 ASN : amide:sc= -2.76! K(o=-2.8!,f=-1.5) USER MOD Single : A 104 CYS SG : rot -28:sc= 0.00414 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -0.0562 K(o=-0.056,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.544 -2.004 6.280 1.00 0.00 N ATOM 135 CA LYS A 11 -9.052 -0.829 5.571 1.00 0.00 C ATOM 136 C LYS A 11 -8.462 -1.240 4.230 1.00 0.00 C ATOM 137 O LYS A 11 -9.018 -0.931 3.177 1.00 0.00 O ATOM 138 CB LYS A 11 -7.997 -0.108 6.411 1.00 0.00 C ATOM 139 CG LYS A 11 -8.434 0.149 7.845 1.00 0.00 C ATOM 140 CD LYS A 11 -7.364 -0.278 8.837 1.00 0.00 C ATOM 141 CE LYS A 11 -7.970 -0.665 10.176 1.00 0.00 C ATOM 142 NZ LYS A 11 -8.066 0.499 11.100 1.00 0.00 N ATOM 0 HA LYS A 11 -9.885 -0.148 5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.083 -0.702 6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.755 0.843 5.937 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.651 1.209 7.976 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.358 -0.393 8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.806 -1.122 8.431 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.653 0.536 8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.963 -1.085 10.017 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.364 -1.445 10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.484 0.193 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.116 0.885 11.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.665 1.233 10.672 1.00 0.00 H new ATOM 155 N TRP A 12 -7.338 -1.951 4.287 1.00 0.00 N ATOM 156 CA TRP A 12 -6.661 -2.437 3.084 1.00 0.00 C ATOM 157 C TRP A 12 -7.689 -2.910 2.053 1.00 0.00 C ATOM 158 O TRP A 12 -8.630 -3.627 2.394 1.00 0.00 O ATOM 159 CB TRP A 12 -5.702 -3.590 3.426 1.00 0.00 C ATOM 160 CG TRP A 12 -4.906 -3.406 4.694 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.839 -2.293 5.486 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.051 -4.380 5.309 1.00 0.00 C ATOM 163 NE1 TRP A 12 -4.007 -2.520 6.556 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.509 -3.792 6.468 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.695 -5.695 4.993 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.631 -4.472 7.308 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.823 -6.367 5.827 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.300 -5.756 6.973 1.00 0.00 C ATOM 0 H TRP A 12 -6.873 -2.205 5.159 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.083 -1.614 2.664 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.280 -4.510 3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.008 -3.723 2.596 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.364 -1.368 5.298 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.795 -1.850 7.295 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.095 -6.176 4.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.226 -4.002 8.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.539 -7.382 5.591 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.622 -6.310 7.605 1.00 0.00 H new ATOM 179 N ILE A 13 -7.520 -2.491 0.798 1.00 0.00 N ATOM 180 CA ILE A 13 -8.459 -2.867 -0.260 1.00 0.00 C ATOM 181 C ILE A 13 -7.752 -3.429 -1.494 1.00 0.00 C ATOM 182 O ILE A 13 -6.865 -2.795 -2.057 1.00 0.00 O ATOM 183 CB ILE A 13 -9.320 -1.663 -0.693 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.077 -0.463 0.238 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.789 -2.058 -0.715 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.336 0.268 0.667 1.00 0.00 C ATOM 0 H ILE A 13 -6.750 -1.897 0.491 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.093 -3.646 0.164 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.032 -1.362 -1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.553 -0.811 1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.416 0.243 -0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.391 -1.203 -1.022 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.935 -2.876 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.095 -2.378 0.281 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.070 1.098 1.321 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.852 0.651 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -10.991 -0.419 1.202 1.00 0.00 H new ATOM 198 N ASN A 14 -8.171 -4.620 -1.922 1.00 0.00 N ATOM 199 CA ASN A 14 -7.590 -5.270 -3.096 1.00 0.00 C ATOM 200 C ASN A 14 -8.530 -5.175 -4.296 1.00 0.00 C ATOM 201 O ASN A 14 -9.748 -5.090 -4.136 1.00 0.00 O ATOM 202 CB ASN A 14 -7.272 -6.736 -2.798 1.00 0.00 C ATOM 203 CG ASN A 14 -6.956 -7.528 -4.052 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.673 -8.465 -4.406 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.877 -7.157 -4.731 1.00 0.00 N ATOM 0 H ASN A 14 -8.913 -5.155 -1.471 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.664 -4.750 -3.340 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.424 -6.789 -2.115 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.121 -7.192 -2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.614 -7.654 -5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.311 -6.375 -4.402 1.00 0.00 H new ATOM 212 N PHE A 15 -7.955 -5.186 -5.496 1.00 0.00 N ATOM 213 CA PHE A 15 -8.738 -5.097 -6.723 1.00 0.00 C ATOM 214 C PHE A 15 -8.314 -6.180 -7.717 1.00 0.00 C ATOM 215 O PHE A 15 -8.169 -7.345 -7.345 1.00 0.00 O ATOM 216 CB PHE A 15 -8.585 -3.707 -7.349 1.00 0.00 C ATOM 217 CG PHE A 15 -8.413 -2.608 -6.341 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.512 -2.046 -5.711 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.151 -2.136 -6.026 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.352 -1.034 -4.783 1.00 0.00 C ATOM 221 CE2 PHE A 15 -6.983 -1.126 -5.100 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.086 -0.573 -4.477 1.00 0.00 C ATOM 0 H PHE A 15 -6.948 -5.256 -5.644 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.787 -5.256 -6.474 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.725 -3.712 -8.018 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.463 -3.494 -7.959 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.504 -2.402 -5.947 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.286 -2.563 -6.511 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.216 -0.604 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -5.992 -0.769 -4.863 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.958 0.218 -3.753 1.00 0.00 H new ATOM 232 N GLN A 16 -8.117 -5.791 -8.980 1.00 0.00 N ATOM 233 CA GLN A 16 -7.710 -6.731 -10.020 1.00 0.00 C ATOM 234 C GLN A 16 -6.570 -7.622 -9.537 1.00 0.00 C ATOM 235 O GLN A 16 -6.644 -8.847 -9.636 1.00 0.00 O ATOM 236 CB GLN A 16 -7.282 -5.974 -11.279 1.00 0.00 C ATOM 237 CG GLN A 16 -8.313 -4.966 -11.762 1.00 0.00 C ATOM 238 CD GLN A 16 -9.286 -5.562 -12.761 1.00 0.00 C ATOM 239 OE1 GLN A 16 -10.258 -6.215 -12.384 1.00 0.00 O ATOM 240 NE2 GLN A 16 -9.027 -5.338 -14.045 1.00 0.00 N ATOM 0 H GLN A 16 -8.234 -4.831 -9.304 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.565 -7.365 -10.256 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.344 -5.455 -11.080 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.086 -6.692 -12.076 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -8.867 -4.580 -10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -7.802 -4.119 -12.219 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.209 -4.791 -14.312 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -9.646 -5.714 -14.763 1.00 0.00 H new ATOM 249 N ARG A 17 -5.518 -7.002 -9.008 1.00 0.00 N ATOM 250 CA ARG A 17 -4.371 -7.750 -8.506 1.00 0.00 C ATOM 251 C ARG A 17 -3.520 -6.897 -7.574 1.00 0.00 C ATOM 252 O ARG A 17 -2.524 -7.366 -7.023 1.00 0.00 O ATOM 253 CB ARG A 17 -3.520 -8.270 -9.666 1.00 0.00 C ATOM 254 CG ARG A 17 -2.819 -9.584 -9.364 1.00 0.00 C ATOM 255 CD ARG A 17 -1.313 -9.402 -9.262 1.00 0.00 C ATOM 256 NE ARG A 17 -0.625 -9.842 -10.474 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.321 -9.033 -11.485 1.00 0.00 C ATOM 258 NH1 ARG A 17 -0.643 -7.747 -11.430 1.00 0.00 N ATOM 259 NH2 ARG A 17 0.306 -9.509 -12.551 1.00 0.00 N ATOM 0 H ARG A 17 -5.437 -5.989 -8.917 1.00 0.00 H new ATOM 0 HA ARG A 17 -4.751 -8.599 -7.938 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -4.155 -8.400 -10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.772 -7.519 -9.922 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.201 -9.995 -8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.047 -10.307 -10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.086 -8.352 -9.077 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.937 -9.964 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.363 -10.825 -10.549 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.125 -7.377 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.409 -7.129 -12.207 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.556 -10.497 -12.597 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.539 -8.888 -13.326 1.00 0.00 H new ATOM 273 N LYS A 18 -3.927 -5.648 -7.385 1.00 0.00 N ATOM 274 CA LYS A 18 -3.220 -4.738 -6.509 1.00 0.00 C ATOM 275 C LYS A 18 -4.088 -4.398 -5.310 1.00 0.00 C ATOM 276 O LYS A 18 -5.308 -4.532 -5.356 1.00 0.00 O ATOM 277 CB LYS A 18 -2.823 -3.461 -7.249 1.00 0.00 C ATOM 278 CG LYS A 18 -3.825 -2.331 -7.090 1.00 0.00 C ATOM 279 CD LYS A 18 -3.404 -1.089 -7.864 1.00 0.00 C ATOM 280 CE LYS A 18 -3.135 -1.407 -9.326 1.00 0.00 C ATOM 281 NZ LYS A 18 -2.738 -0.194 -10.094 1.00 0.00 N ATOM 0 H LYS A 18 -4.750 -5.245 -7.833 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.309 -5.229 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.851 -3.128 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.707 -3.686 -8.309 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.804 -2.662 -7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.929 -2.083 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.186 -0.333 -7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.508 -0.664 -7.412 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.345 -2.155 -9.396 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.028 -1.844 -9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.563 -0.453 -11.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.502 0.511 -10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.871 0.208 -9.684 1.00 0.00 H new ATOM 294 N CYS A 19 -3.451 -3.964 -4.245 1.00 0.00 N ATOM 295 CA CYS A 19 -4.159 -3.610 -3.028 1.00 0.00 C ATOM 296 C CYS A 19 -3.711 -2.251 -2.514 1.00 0.00 C ATOM 297 O CYS A 19 -2.658 -1.739 -2.894 1.00 0.00 O ATOM 298 CB CYS A 19 -3.943 -4.681 -1.954 1.00 0.00 C ATOM 299 SG CYS A 19 -4.909 -4.423 -0.427 1.00 0.00 S ATOM 0 H CYS A 19 -2.439 -3.846 -4.194 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.223 -3.553 -3.259 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.200 -5.654 -2.372 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.884 -4.713 -1.698 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.656 -5.382 0.414 1.00 0.00 H new ATOM 304 N TYR A 20 -4.523 -1.687 -1.637 1.00 0.00 N ATOM 305 CA TYR A 20 -4.247 -0.398 -1.036 1.00 0.00 C ATOM 306 C TYR A 20 -4.269 -0.544 0.470 1.00 0.00 C ATOM 307 O TYR A 20 -4.919 -1.434 1.013 1.00 0.00 O ATOM 308 CB TYR A 20 -5.281 0.651 -1.474 1.00 0.00 C ATOM 309 CG TYR A 20 -4.984 1.307 -2.808 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.347 0.610 -3.830 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.344 2.628 -3.043 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.078 1.212 -5.045 1.00 0.00 C ATOM 313 CE2 TYR A 20 -5.079 3.236 -4.255 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.445 2.524 -5.252 1.00 0.00 C ATOM 315 OH TYR A 20 -4.180 3.126 -6.460 1.00 0.00 O ATOM 0 H TYR A 20 -5.395 -2.113 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.265 -0.059 -1.366 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.261 0.177 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.342 1.425 -0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.058 -0.418 -3.671 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.840 3.189 -2.265 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.583 0.657 -5.828 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.367 4.264 -4.421 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.504 4.051 -6.443 1.00 0.00 H new ATOM 325 N TYR A 21 -3.547 0.327 1.127 1.00 0.00 N ATOM 326 CA TYR A 21 -3.454 0.315 2.574 1.00 0.00 C ATOM 327 C TYR A 21 -4.039 1.584 3.138 1.00 0.00 C ATOM 328 O TYR A 21 -3.525 2.654 2.882 1.00 0.00 O ATOM 329 CB TYR A 21 -1.994 0.216 3.019 1.00 0.00 C ATOM 330 CG TYR A 21 -1.449 -1.188 3.059 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.589 -1.967 4.194 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.782 -1.726 1.966 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.082 -3.246 4.246 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.273 -3.008 2.005 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.425 -3.767 3.149 1.00 0.00 C ATOM 336 OH TYR A 21 0.083 -5.045 3.196 1.00 0.00 O ATOM 0 H TYR A 21 -3.005 1.066 0.679 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.007 -0.550 2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.380 0.812 2.344 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.898 0.658 4.011 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.105 -1.565 5.054 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.660 -1.132 1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.198 -3.839 5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.241 -3.415 1.147 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.442 -5.628 2.609 1.00 0.00 H new ATOM 346 N PHE A 22 -5.093 1.468 3.915 1.00 0.00 N ATOM 347 CA PHE A 22 -5.701 2.634 4.524 1.00 0.00 C ATOM 348 C PHE A 22 -5.751 2.422 6.028 1.00 0.00 C ATOM 349 O PHE A 22 -6.807 2.529 6.652 1.00 0.00 O ATOM 350 CB PHE A 22 -7.111 2.871 3.969 1.00 0.00 C ATOM 351 CG PHE A 22 -7.172 3.110 2.479 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.090 3.636 1.794 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.322 2.808 1.765 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.149 3.855 0.431 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.388 3.027 0.399 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.299 3.551 -0.270 1.00 0.00 C ATOM 0 H PHE A 22 -5.547 0.583 4.141 1.00 0.00 H new ATOM 0 HA PHE A 22 -5.105 3.517 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.731 2.008 4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.548 3.730 4.479 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.186 3.879 2.333 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.177 2.397 2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.294 4.265 -0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.291 2.788 -0.143 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.347 3.722 -1.335 1.00 0.00 H new ATOM 366 N GLY A 23 -4.595 2.095 6.600 1.00 0.00 N ATOM 367 CA GLY A 23 -4.516 1.835 8.021 1.00 0.00 C ATOM 368 C GLY A 23 -4.303 3.098 8.834 1.00 0.00 C ATOM 369 O GLY A 23 -4.305 4.201 8.288 1.00 0.00 O ATOM 0 H GLY A 23 -3.711 2.006 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.434 1.347 8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.699 1.140 8.215 1.00 0.00 H new ATOM 373 N LYS A 24 -4.122 2.941 10.143 1.00 0.00 N ATOM 374 CA LYS A 24 -3.912 4.083 11.028 1.00 0.00 C ATOM 375 C LYS A 24 -2.573 3.983 11.752 1.00 0.00 C ATOM 376 O LYS A 24 -2.148 2.896 12.143 1.00 0.00 O ATOM 377 CB LYS A 24 -5.050 4.182 12.046 1.00 0.00 C ATOM 378 CG LYS A 24 -5.366 2.865 12.734 1.00 0.00 C ATOM 379 CD LYS A 24 -4.953 2.887 14.198 1.00 0.00 C ATOM 380 CE LYS A 24 -5.093 1.515 14.837 1.00 0.00 C ATOM 381 NZ LYS A 24 -4.174 1.347 15.997 1.00 0.00 N ATOM 0 H LYS A 24 -4.117 2.036 10.613 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.901 4.984 10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.788 4.923 12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.946 4.544 11.542 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.434 2.662 12.659 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.850 2.053 12.222 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.920 3.224 14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.567 3.606 14.740 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.122 1.371 15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.884 0.745 14.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.300 0.399 16.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.190 1.460 15.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.390 2.065 16.718 1.00 0.00 H new ATOM 436 N GLN A 28 3.545 11.317 10.575 1.00 0.00 N ATOM 437 CA GLN A 28 3.838 12.293 9.528 1.00 0.00 C ATOM 438 C GLN A 28 3.904 11.617 8.160 1.00 0.00 C ATOM 439 O GLN A 28 3.662 10.416 8.040 1.00 0.00 O ATOM 440 CB GLN A 28 5.157 13.011 9.821 1.00 0.00 C ATOM 441 CG GLN A 28 4.984 14.317 10.578 1.00 0.00 C ATOM 442 CD GLN A 28 5.799 14.363 11.856 1.00 0.00 C ATOM 443 OE1 GLN A 28 5.941 13.357 12.551 1.00 0.00 O ATOM 444 NE2 GLN A 28 6.337 15.534 12.173 1.00 0.00 N ATOM 0 HA GLN A 28 3.032 13.027 9.514 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.801 12.348 10.399 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.669 13.211 8.880 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.277 15.147 9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 28 3.930 14.456 10.818 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.193 16.342 11.567 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.894 15.626 13.022 1.00 0.00 H new ATOM 453 N TRP A 29 4.229 12.396 7.131 1.00 0.00 N ATOM 454 CA TRP A 29 4.318 11.870 5.773 1.00 0.00 C ATOM 455 C TRP A 29 5.434 10.841 5.649 1.00 0.00 C ATOM 456 O TRP A 29 5.228 9.746 5.127 1.00 0.00 O ATOM 457 CB TRP A 29 4.554 12.997 4.769 1.00 0.00 C ATOM 458 CG TRP A 29 4.617 12.503 3.358 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.570 12.345 2.499 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.788 12.084 2.648 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.018 11.851 1.298 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.374 11.686 1.364 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.147 12.008 2.972 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.266 11.217 0.405 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.033 11.542 2.018 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.589 11.152 0.747 1.00 0.00 C ATOM 0 H TRP A 29 4.435 13.392 7.212 1.00 0.00 H new ATOM 0 HA TRP A 29 3.368 11.384 5.552 1.00 0.00 H new ATOM 0 HB2 TRP A 29 3.754 13.732 4.858 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.485 13.508 5.014 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.540 12.574 2.729 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.434 11.641 0.488 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.497 12.308 3.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.926 10.915 -0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.084 11.477 2.256 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.306 10.793 0.023 1.00 0.00 H new ATOM 477 N VAL A 30 6.615 11.206 6.125 1.00 0.00 N ATOM 478 CA VAL A 30 7.773 10.320 6.066 1.00 0.00 C ATOM 479 C VAL A 30 7.461 8.982 6.715 1.00 0.00 C ATOM 480 O VAL A 30 7.987 7.945 6.313 1.00 0.00 O ATOM 481 CB VAL A 30 8.995 10.946 6.760 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.575 12.061 5.906 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.618 11.464 8.138 1.00 0.00 C ATOM 0 H VAL A 30 6.799 12.111 6.558 1.00 0.00 H new ATOM 0 HA VAL A 30 8.008 10.167 5.013 1.00 0.00 H new ATOM 0 HB VAL A 30 9.757 10.176 6.883 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.439 12.494 6.411 1.00 0.00 H new ATOM 0 HG12 VAL A 30 9.883 11.658 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.820 12.832 5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.495 11.903 8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.840 12.221 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.249 10.640 8.748 1.00 0.00 H new ATOM 493 N HIS A 31 6.595 9.011 7.717 1.00 0.00 N ATOM 494 CA HIS A 31 6.205 7.797 8.415 1.00 0.00 C ATOM 495 C HIS A 31 5.312 6.936 7.530 1.00 0.00 C ATOM 496 O HIS A 31 5.284 5.712 7.666 1.00 0.00 O ATOM 497 CB HIS A 31 5.482 8.136 9.719 1.00 0.00 C ATOM 498 CG HIS A 31 6.074 7.466 10.919 1.00 0.00 C ATOM 499 ND1 HIS A 31 5.466 6.412 11.569 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.228 7.701 11.588 1.00 0.00 C ATOM 501 CE1 HIS A 31 6.220 6.029 12.585 1.00 0.00 C ATOM 502 NE2 HIS A 31 7.294 6.795 12.617 1.00 0.00 N ATOM 0 H HIS A 31 6.150 9.861 8.064 1.00 0.00 H new ATOM 0 HA HIS A 31 7.108 7.235 8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.503 9.216 9.867 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.435 7.847 9.631 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.960 8.460 11.355 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.995 5.226 13.272 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.051 6.725 13.297 1.00 0.00 H new ATOM 511 N ALA A 32 4.584 7.579 6.620 1.00 0.00 N ATOM 512 CA ALA A 32 3.699 6.860 5.716 1.00 0.00 C ATOM 513 C ALA A 32 4.495 6.067 4.690 1.00 0.00 C ATOM 514 O ALA A 32 4.257 4.877 4.497 1.00 0.00 O ATOM 515 CB ALA A 32 2.754 7.828 5.021 1.00 0.00 C ATOM 0 H ALA A 32 4.591 8.591 6.492 1.00 0.00 H new ATOM 0 HA ALA A 32 3.110 6.157 6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.098 7.276 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.153 8.349 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.332 8.554 4.449 1.00 0.00 H new ATOM 521 N ARG A 33 5.457 6.727 4.049 1.00 0.00 N ATOM 522 CA ARG A 33 6.297 6.070 3.058 1.00 0.00 C ATOM 523 C ARG A 33 7.072 4.928 3.699 1.00 0.00 C ATOM 524 O ARG A 33 7.242 3.866 3.099 1.00 0.00 O ATOM 525 CB ARG A 33 7.259 7.069 2.407 1.00 0.00 C ATOM 526 CG ARG A 33 8.174 7.773 3.396 1.00 0.00 C ATOM 527 CD ARG A 33 9.635 7.623 3.005 1.00 0.00 C ATOM 528 NE ARG A 33 10.530 8.206 4.000 1.00 0.00 N ATOM 529 CZ ARG A 33 11.806 7.860 4.138 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.335 6.937 3.347 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.555 8.438 5.068 1.00 0.00 N ATOM 0 H ARG A 33 5.672 7.713 4.199 1.00 0.00 H new ATOM 0 HA ARG A 33 5.652 5.664 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.869 6.545 1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.680 7.817 1.866 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.915 8.831 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.019 7.362 4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.870 6.566 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.803 8.103 2.041 1.00 0.00 H new ATOM 0 HE ARG A 33 10.155 8.920 4.625 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.763 6.491 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.314 6.673 3.455 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.152 9.149 5.678 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.534 8.171 5.173 1.00 0.00 H new ATOM 545 N TYR A 34 7.522 5.144 4.931 1.00 0.00 N ATOM 546 CA TYR A 34 8.257 4.119 5.657 1.00 0.00 C ATOM 547 C TYR A 34 7.348 2.927 5.915 1.00 0.00 C ATOM 548 O TYR A 34 7.790 1.778 5.901 1.00 0.00 O ATOM 549 CB TYR A 34 8.794 4.673 6.978 1.00 0.00 C ATOM 550 CG TYR A 34 10.284 4.484 7.153 1.00 0.00 C ATOM 551 CD1 TYR A 34 10.806 3.262 7.559 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.169 5.528 6.910 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.167 3.086 7.720 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.531 5.359 7.068 1.00 0.00 C ATOM 555 CZ TYR A 34 13.025 4.137 7.473 1.00 0.00 C ATOM 556 OH TYR A 34 14.381 3.965 7.631 1.00 0.00 O ATOM 0 H TYR A 34 7.391 6.016 5.444 1.00 0.00 H new ATOM 0 HA TYR A 34 9.106 3.799 5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.562 5.736 7.038 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.275 4.187 7.804 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.137 2.436 7.752 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.786 6.487 6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.557 2.130 8.038 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.206 6.180 6.875 1.00 0.00 H new ATOM 0 HH TYR A 34 14.844 4.801 7.416 1.00 0.00 H new ATOM 566 N ALA A 35 6.067 3.213 6.125 1.00 0.00 N ATOM 567 CA ALA A 35 5.082 2.168 6.358 1.00 0.00 C ATOM 568 C ALA A 35 4.906 1.341 5.093 1.00 0.00 C ATOM 569 O ALA A 35 4.760 0.120 5.148 1.00 0.00 O ATOM 570 CB ALA A 35 3.755 2.771 6.793 1.00 0.00 C ATOM 0 H ALA A 35 5.689 4.160 6.138 1.00 0.00 H new ATOM 0 HA ALA A 35 5.435 1.519 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.031 1.974 6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.896 3.335 7.715 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.385 3.437 6.014 1.00 0.00 H new ATOM 576 N CYS A 36 4.941 2.023 3.951 1.00 0.00 N ATOM 577 CA CYS A 36 4.809 1.370 2.662 1.00 0.00 C ATOM 578 C CYS A 36 5.891 0.318 2.501 1.00 0.00 C ATOM 579 O CYS A 36 5.616 -0.828 2.150 1.00 0.00 O ATOM 580 CB CYS A 36 4.923 2.392 1.534 1.00 0.00 C ATOM 581 SG CYS A 36 4.025 3.945 1.836 1.00 0.00 S ATOM 0 H CYS A 36 5.061 3.035 3.898 1.00 0.00 H new ATOM 0 HA CYS A 36 3.829 0.895 2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.976 2.621 1.372 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.549 1.943 0.614 1.00 0.00 H new ATOM 586 N ASP A 37 7.125 0.727 2.766 1.00 0.00 N ATOM 587 CA ASP A 37 8.267 -0.168 2.661 1.00 0.00 C ATOM 588 C ASP A 37 8.066 -1.400 3.537 1.00 0.00 C ATOM 589 O ASP A 37 8.480 -2.503 3.181 1.00 0.00 O ATOM 590 CB ASP A 37 9.551 0.558 3.064 1.00 0.00 C ATOM 591 CG ASP A 37 10.787 -0.295 2.854 1.00 0.00 C ATOM 592 OD1 ASP A 37 11.150 -0.538 1.683 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.394 -0.721 3.859 1.00 0.00 O ATOM 0 H ASP A 37 7.360 1.676 3.056 1.00 0.00 H new ATOM 0 HA ASP A 37 8.355 -0.490 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.644 1.476 2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.487 0.849 4.113 1.00 0.00 H new ATOM 598 N ASP A 38 7.421 -1.203 4.683 1.00 0.00 N ATOM 599 CA ASP A 38 7.154 -2.295 5.612 1.00 0.00 C ATOM 600 C ASP A 38 6.089 -3.233 5.055 1.00 0.00 C ATOM 601 O ASP A 38 6.031 -4.408 5.416 1.00 0.00 O ATOM 602 CB ASP A 38 6.707 -1.742 6.967 1.00 0.00 C ATOM 603 CG ASP A 38 7.399 -2.429 8.128 1.00 0.00 C ATOM 604 OD1 ASP A 38 7.242 -3.661 8.267 1.00 0.00 O ATOM 605 OD2 ASP A 38 8.095 -1.735 8.898 1.00 0.00 O ATOM 0 H ASP A 38 7.073 -0.295 4.991 1.00 0.00 H new ATOM 0 HA ASP A 38 8.076 -2.860 5.746 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.913 -0.672 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.628 -1.862 7.068 1.00 0.00 H new ATOM 610 N MET A 39 5.250 -2.705 4.168 1.00 0.00 N ATOM 611 CA MET A 39 4.189 -3.491 3.551 1.00 0.00 C ATOM 612 C MET A 39 4.606 -3.944 2.158 1.00 0.00 C ATOM 613 O MET A 39 3.903 -4.714 1.504 1.00 0.00 O ATOM 614 CB MET A 39 2.898 -2.674 3.473 1.00 0.00 C ATOM 615 CG MET A 39 2.443 -2.125 4.815 1.00 0.00 C ATOM 616 SD MET A 39 2.025 -3.425 5.992 1.00 0.00 S ATOM 617 CE MET A 39 1.082 -2.498 7.201 1.00 0.00 C ATOM 0 H MET A 39 5.286 -1.733 3.861 1.00 0.00 H new ATOM 0 HA MET A 39 4.010 -4.372 4.167 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.044 -1.844 2.781 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.107 -3.299 3.059 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.232 -1.501 5.234 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.575 -1.483 4.665 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.752 -3.167 7.996 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.707 -1.712 7.624 1.00 0.00 H new ATOM 0 HE3 MET A 39 0.213 -2.051 6.719 1.00 0.00 H new ATOM 627 N GLU A 40 5.761 -3.451 1.720 1.00 0.00 N ATOM 628 CA GLU A 40 6.308 -3.785 0.409 1.00 0.00 C ATOM 629 C GLU A 40 5.455 -3.198 -0.710 1.00 0.00 C ATOM 630 O GLU A 40 5.098 -3.892 -1.663 1.00 0.00 O ATOM 631 CB GLU A 40 6.416 -5.299 0.240 1.00 0.00 C ATOM 632 CG GLU A 40 7.555 -5.922 1.031 1.00 0.00 C ATOM 633 CD GLU A 40 8.688 -6.400 0.145 1.00 0.00 C ATOM 634 OE1 GLU A 40 9.303 -5.554 -0.540 1.00 0.00 O ATOM 635 OE2 GLU A 40 8.961 -7.618 0.134 1.00 0.00 O ATOM 0 H GLU A 40 6.342 -2.811 2.262 1.00 0.00 H new ATOM 0 HA GLU A 40 7.305 -3.349 0.347 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.477 -5.758 0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.551 -5.529 -0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.939 -5.192 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.173 -6.762 1.610 1.00 0.00 H new ATOM 642 N GLY A 41 5.135 -1.917 -0.589 1.00 0.00 N ATOM 643 CA GLY A 41 4.328 -1.258 -1.595 1.00 0.00 C ATOM 644 C GLY A 41 4.892 0.078 -2.027 1.00 0.00 C ATOM 645 O GLY A 41 6.039 0.168 -2.465 1.00 0.00 O ATOM 0 H GLY A 41 5.420 -1.322 0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.242 -1.908 -2.466 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.321 -1.111 -1.205 1.00 0.00 H new ATOM 649 N GLN A 42 4.069 1.110 -1.925 1.00 0.00 N ATOM 650 CA GLN A 42 4.458 2.455 -2.327 1.00 0.00 C ATOM 651 C GLN A 42 3.526 3.452 -1.685 1.00 0.00 C ATOM 652 O GLN A 42 2.419 3.093 -1.296 1.00 0.00 O ATOM 653 CB GLN A 42 4.378 2.603 -3.847 1.00 0.00 C ATOM 654 CG GLN A 42 4.583 4.030 -4.336 1.00 0.00 C ATOM 655 CD GLN A 42 4.328 4.179 -5.822 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.034 3.599 -6.647 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.314 4.962 -6.169 1.00 0.00 N ATOM 0 H GLN A 42 3.118 1.041 -1.564 1.00 0.00 H new ATOM 0 HA GLN A 42 5.484 2.636 -2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.129 1.960 -4.306 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.405 2.248 -4.187 1.00 0.00 H new ATOM 0 HG2 GLN A 42 3.917 4.697 -3.788 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.603 4.344 -4.113 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.756 5.423 -5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.093 5.103 -7.155 1.00 0.00 H new ATOM 666 N LEU A 43 3.930 4.705 -1.586 1.00 0.00 N ATOM 667 CA LEU A 43 3.035 5.667 -1.006 1.00 0.00 C ATOM 668 C LEU A 43 1.991 5.987 -2.062 1.00 0.00 C ATOM 669 O LEU A 43 2.291 6.563 -3.109 1.00 0.00 O ATOM 670 CB LEU A 43 3.810 6.925 -0.588 1.00 0.00 C ATOM 671 CG LEU A 43 3.249 7.730 0.595 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.595 6.833 1.625 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.355 8.544 1.243 1.00 0.00 C ATOM 0 H LEU A 43 4.836 5.063 -1.888 1.00 0.00 H new ATOM 0 HA LEU A 43 2.557 5.276 -0.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.830 6.629 -0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.870 7.588 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 43 2.484 8.401 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.211 7.440 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.773 6.287 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.329 6.126 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.947 9.111 2.080 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.136 7.875 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.777 9.232 0.511 1.00 0.00 H new ATOM 685 N VAL A 44 0.773 5.559 -1.760 1.00 0.00 N ATOM 686 CA VAL A 44 -0.394 5.710 -2.628 1.00 0.00 C ATOM 687 C VAL A 44 -0.141 6.532 -3.879 1.00 0.00 C ATOM 688 O VAL A 44 -0.038 5.990 -4.981 1.00 0.00 O ATOM 689 CB VAL A 44 -1.560 6.335 -1.863 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.713 5.355 -1.773 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.106 6.776 -0.483 1.00 0.00 C ATOM 0 H VAL A 44 0.560 5.084 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.635 4.697 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.907 7.216 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.537 5.812 -1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.046 5.092 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.386 4.455 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.946 7.220 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.737 5.913 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.308 7.512 -0.580 1.00 0.00 H new ATOM 701 N SER A 45 -0.085 7.841 -3.704 1.00 0.00 N ATOM 702 CA SER A 45 0.109 8.758 -4.820 1.00 0.00 C ATOM 703 C SER A 45 -1.130 8.739 -5.709 1.00 0.00 C ATOM 704 O SER A 45 -1.041 8.540 -6.921 1.00 0.00 O ATOM 705 CB SER A 45 1.348 8.373 -5.632 1.00 0.00 C ATOM 706 OG SER A 45 2.313 9.409 -5.612 1.00 0.00 O ATOM 0 H SER A 45 -0.171 8.297 -2.796 1.00 0.00 H new ATOM 0 HA SER A 45 0.262 9.764 -4.429 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.783 7.459 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.060 8.160 -6.661 1.00 0.00 H new ATOM 0 HG SER A 45 2.495 9.704 -6.529 1.00 0.00 H new ATOM 712 N ILE A 46 -2.289 8.929 -5.081 1.00 0.00 N ATOM 713 CA ILE A 46 -3.568 8.918 -5.786 1.00 0.00 C ATOM 714 C ILE A 46 -3.530 9.801 -7.026 1.00 0.00 C ATOM 715 O ILE A 46 -2.979 10.903 -7.002 1.00 0.00 O ATOM 716 CB ILE A 46 -4.741 9.372 -4.884 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.237 9.872 -3.522 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.742 8.237 -4.705 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.931 8.766 -2.531 1.00 0.00 C ATOM 0 H ILE A 46 -2.368 9.094 -4.077 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.736 7.882 -6.081 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.243 10.205 -5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.337 10.467 -3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.987 10.535 -3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.561 8.571 -4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.136 7.942 -5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.246 7.385 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.581 9.202 -1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.834 8.184 -2.345 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.158 8.115 -2.939 1.00 0.00 H new ATOM 731 N HIS A 47 -4.121 9.307 -8.109 1.00 0.00 N ATOM 732 CA HIS A 47 -4.159 10.045 -9.366 1.00 0.00 C ATOM 733 C HIS A 47 -5.576 10.092 -9.926 1.00 0.00 C ATOM 734 O HIS A 47 -5.825 10.712 -10.960 1.00 0.00 O ATOM 735 CB HIS A 47 -3.220 9.402 -10.388 1.00 0.00 C ATOM 736 CG HIS A 47 -3.282 7.905 -10.401 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.404 7.109 -9.697 1.00 0.00 N ATOM 738 CD2 HIS A 47 -4.125 7.059 -11.038 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.703 5.839 -9.901 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.745 5.781 -10.711 1.00 0.00 N ATOM 0 H HIS A 47 -4.581 8.397 -8.141 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.829 11.065 -9.168 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.467 9.776 -11.382 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.197 9.713 -10.175 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.945 7.338 -11.684 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.184 4.992 -9.478 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -4.194 4.926 -11.040 1.00 0.00 H new ATOM 749 N SER A 48 -6.506 9.439 -9.234 1.00 0.00 N ATOM 750 CA SER A 48 -7.893 9.413 -9.662 1.00 0.00 C ATOM 751 C SER A 48 -8.785 10.037 -8.598 1.00 0.00 C ATOM 752 O SER A 48 -8.810 9.577 -7.458 1.00 0.00 O ATOM 753 CB SER A 48 -8.339 7.977 -9.941 1.00 0.00 C ATOM 754 OG SER A 48 -7.335 7.258 -10.636 1.00 0.00 O ATOM 0 H SER A 48 -6.320 8.922 -8.375 1.00 0.00 H new ATOM 0 HA SER A 48 -7.981 9.992 -10.581 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.566 7.474 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.257 7.985 -10.528 1.00 0.00 H new ATOM 0 HG SER A 48 -7.643 6.342 -10.801 1.00 0.00 H new ATOM 760 N PRO A 49 -9.534 11.095 -8.955 1.00 0.00 N ATOM 761 CA PRO A 49 -10.429 11.769 -8.016 1.00 0.00 C ATOM 762 C PRO A 49 -11.266 10.770 -7.230 1.00 0.00 C ATOM 763 O PRO A 49 -11.657 11.026 -6.091 1.00 0.00 O ATOM 764 CB PRO A 49 -11.311 12.624 -8.926 1.00 0.00 C ATOM 765 CG PRO A 49 -10.445 12.924 -10.102 1.00 0.00 C ATOM 766 CD PRO A 49 -9.573 11.712 -10.296 1.00 0.00 C ATOM 0 HA PRO A 49 -9.893 12.350 -7.265 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.213 12.089 -9.223 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.632 13.537 -8.425 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.047 13.118 -10.990 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.842 13.814 -9.925 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.991 11.032 -11.038 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.576 11.986 -10.640 1.00 0.00 H new ATOM 774 N GLU A 50 -11.520 9.619 -7.844 1.00 0.00 N ATOM 775 CA GLU A 50 -12.291 8.566 -7.205 1.00 0.00 C ATOM 776 C GLU A 50 -11.474 7.880 -6.123 1.00 0.00 C ATOM 777 O GLU A 50 -11.960 7.655 -5.018 1.00 0.00 O ATOM 778 CB GLU A 50 -12.745 7.529 -8.229 1.00 0.00 C ATOM 779 CG GLU A 50 -13.446 6.338 -7.605 1.00 0.00 C ATOM 780 CD GLU A 50 -13.447 5.121 -8.509 1.00 0.00 C ATOM 781 OE1 GLU A 50 -14.361 5.010 -9.354 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.534 4.280 -8.373 1.00 0.00 O ATOM 0 H GLU A 50 -11.201 9.394 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.168 9.028 -6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.417 8.004 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.879 7.179 -8.790 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.957 6.086 -6.664 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.474 6.610 -7.368 1.00 0.00 H new ATOM 789 N GLU A 51 -10.235 7.539 -6.456 1.00 0.00 N ATOM 790 CA GLU A 51 -9.359 6.868 -5.516 1.00 0.00 C ATOM 791 C GLU A 51 -9.085 7.759 -4.313 1.00 0.00 C ATOM 792 O GLU A 51 -9.182 7.317 -3.170 1.00 0.00 O ATOM 793 CB GLU A 51 -8.048 6.472 -6.197 1.00 0.00 C ATOM 794 CG GLU A 51 -8.228 5.467 -7.323 1.00 0.00 C ATOM 795 CD GLU A 51 -8.472 4.059 -6.815 1.00 0.00 C ATOM 796 OE1 GLU A 51 -7.488 3.380 -6.454 1.00 0.00 O ATOM 797 OE2 GLU A 51 -9.647 3.635 -6.779 1.00 0.00 O ATOM 0 H GLU A 51 -9.819 7.718 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.856 5.962 -5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.569 7.367 -6.593 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.373 6.053 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.066 5.774 -7.948 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.340 5.472 -7.955 1.00 0.00 H new ATOM 804 N GLN A 52 -8.757 9.021 -4.577 1.00 0.00 N ATOM 805 CA GLN A 52 -8.486 9.973 -3.512 1.00 0.00 C ATOM 806 C GLN A 52 -9.708 10.111 -2.616 1.00 0.00 C ATOM 807 O GLN A 52 -9.592 10.153 -1.394 1.00 0.00 O ATOM 808 CB GLN A 52 -8.078 11.336 -4.092 1.00 0.00 C ATOM 809 CG GLN A 52 -9.247 12.176 -4.593 1.00 0.00 C ATOM 810 CD GLN A 52 -9.796 13.148 -3.555 1.00 0.00 C ATOM 811 OE1 GLN A 52 -10.608 14.015 -3.879 1.00 0.00 O ATOM 812 NE2 GLN A 52 -9.358 13.018 -2.305 1.00 0.00 N ATOM 0 H GLN A 52 -8.673 9.404 -5.519 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.654 9.602 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.542 11.898 -3.327 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.382 11.175 -4.915 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.928 12.738 -5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.049 11.511 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.685 12.287 -2.074 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -9.696 13.649 -1.578 1.00 0.00 H new ATOM 821 N ASP A 53 -10.880 10.152 -3.240 1.00 0.00 N ATOM 822 CA ASP A 53 -12.137 10.254 -2.521 1.00 0.00 C ATOM 823 C ASP A 53 -12.406 8.960 -1.771 1.00 0.00 C ATOM 824 O ASP A 53 -12.977 8.961 -0.681 1.00 0.00 O ATOM 825 CB ASP A 53 -13.283 10.547 -3.490 1.00 0.00 C ATOM 826 CG ASP A 53 -14.552 10.970 -2.776 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.460 11.785 -1.834 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.637 10.486 -3.159 1.00 0.00 O ATOM 0 H ASP A 53 -10.982 10.115 -4.254 1.00 0.00 H new ATOM 0 HA ASP A 53 -12.069 11.075 -1.807 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.979 11.334 -4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.485 9.658 -4.088 1.00 0.00 H new ATOM 833 N PHE A 54 -12.001 7.854 -2.384 1.00 0.00 N ATOM 834 CA PHE A 54 -12.196 6.534 -1.815 1.00 0.00 C ATOM 835 C PHE A 54 -11.504 6.411 -0.466 1.00 0.00 C ATOM 836 O PHE A 54 -12.121 6.026 0.527 1.00 0.00 O ATOM 837 CB PHE A 54 -11.620 5.499 -2.779 1.00 0.00 C ATOM 838 CG PHE A 54 -12.634 4.537 -3.315 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.955 3.390 -2.613 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.257 4.779 -4.524 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.887 2.498 -3.109 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.189 3.895 -5.028 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.505 2.751 -4.318 1.00 0.00 C ATOM 0 H PHE A 54 -11.529 7.851 -3.288 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.263 6.367 -1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.149 6.018 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.836 4.939 -2.269 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.473 3.189 -1.668 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.012 5.671 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.131 1.605 -2.553 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.670 4.096 -5.974 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.234 2.056 -4.708 1.00 0.00 H new ATOM 853 N LEU A 55 -10.228 6.764 -0.433 1.00 0.00 N ATOM 854 CA LEU A 55 -9.463 6.717 0.801 1.00 0.00 C ATOM 855 C LEU A 55 -9.863 7.868 1.708 1.00 0.00 C ATOM 856 O LEU A 55 -9.857 7.742 2.931 1.00 0.00 O ATOM 857 CB LEU A 55 -7.969 6.773 0.517 1.00 0.00 C ATOM 858 CG LEU A 55 -7.575 7.647 -0.662 1.00 0.00 C ATOM 859 CD1 LEU A 55 -6.853 8.881 -0.170 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.711 6.869 -1.634 1.00 0.00 C ATOM 0 H LEU A 55 -9.702 7.085 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.682 5.774 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.458 7.138 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.610 5.760 0.336 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.477 7.959 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.574 9.503 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.508 9.446 0.493 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.956 8.585 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.438 7.510 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.807 6.530 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.265 6.006 -2.003 1.00 0.00 H new ATOM 872 N THR A 56 -10.212 8.992 1.090 1.00 0.00 N ATOM 873 CA THR A 56 -10.621 10.177 1.829 1.00 0.00 C ATOM 874 C THR A 56 -11.846 9.855 2.673 1.00 0.00 C ATOM 875 O THR A 56 -11.942 10.256 3.833 1.00 0.00 O ATOM 876 CB THR A 56 -10.920 11.334 0.863 1.00 0.00 C ATOM 877 OG1 THR A 56 -9.990 12.389 1.038 1.00 0.00 O ATOM 878 CG2 THR A 56 -12.307 11.918 1.020 1.00 0.00 C ATOM 0 H THR A 56 -10.219 9.105 0.076 1.00 0.00 H new ATOM 0 HA THR A 56 -9.809 10.486 2.487 1.00 0.00 H new ATOM 0 HB THR A 56 -10.843 10.895 -0.132 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.197 13.115 0.413 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.443 12.729 0.305 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.051 11.143 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.427 12.303 2.033 1.00 0.00 H new ATOM 886 N LYS A 57 -12.770 9.105 2.083 1.00 0.00 N ATOM 887 CA LYS A 57 -13.978 8.697 2.776 1.00 0.00 C ATOM 888 C LYS A 57 -13.632 7.622 3.794 1.00 0.00 C ATOM 889 O LYS A 57 -14.209 7.566 4.880 1.00 0.00 O ATOM 890 CB LYS A 57 -15.016 8.171 1.783 1.00 0.00 C ATOM 891 CG LYS A 57 -16.393 8.788 1.961 1.00 0.00 C ATOM 892 CD LYS A 57 -16.557 10.037 1.111 1.00 0.00 C ATOM 893 CE LYS A 57 -16.881 9.690 -0.333 1.00 0.00 C ATOM 894 NZ LYS A 57 -18.284 9.214 -0.489 1.00 0.00 N ATOM 0 H LYS A 57 -12.701 8.768 1.123 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.405 9.559 3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.668 8.366 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.095 7.089 1.891 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -17.157 8.059 1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.548 9.038 3.011 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.352 10.658 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.641 10.626 1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.723 10.567 -0.961 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -16.195 8.919 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.535 9.198 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.371 8.255 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.927 9.856 0.018 1.00 0.00 H new ATOM 907 N HIS A 58 -12.670 6.777 3.432 1.00 0.00 N ATOM 908 CA HIS A 58 -12.223 5.708 4.310 1.00 0.00 C ATOM 909 C HIS A 58 -11.489 6.283 5.517 1.00 0.00 C ATOM 910 O HIS A 58 -11.464 5.674 6.588 1.00 0.00 O ATOM 911 CB HIS A 58 -11.309 4.743 3.553 1.00 0.00 C ATOM 912 CG HIS A 58 -11.407 3.327 4.029 1.00 0.00 C ATOM 913 ND1 HIS A 58 -11.831 2.290 3.226 1.00 0.00 N ATOM 914 CD2 HIS A 58 -11.130 2.777 5.236 1.00 0.00 C ATOM 915 CE1 HIS A 58 -11.814 1.164 3.917 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.392 1.432 5.138 1.00 0.00 N ATOM 0 H HIS A 58 -12.187 6.815 2.535 1.00 0.00 H new ATOM 0 HA HIS A 58 -13.099 5.161 4.659 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.556 4.779 2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.277 5.080 3.652 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -12.114 2.378 2.250 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.771 3.298 6.111 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -12.097 0.190 3.546 1.00 0.00 H new ATOM 978 N GLY A 63 -7.196 11.709 8.831 1.00 0.00 N ATOM 979 CA GLY A 63 -6.704 11.984 7.494 1.00 0.00 C ATOM 980 C GLY A 63 -5.905 10.831 6.920 1.00 0.00 C ATOM 981 O GLY A 63 -5.760 9.789 7.559 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.547 12.200 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.081 12.878 7.517 1.00 0.00 H new ATOM 985 N SER A 64 -5.383 11.020 5.713 1.00 0.00 N ATOM 986 CA SER A 64 -4.588 9.992 5.047 1.00 0.00 C ATOM 987 C SER A 64 -3.344 10.598 4.405 1.00 0.00 C ATOM 988 O SER A 64 -3.273 11.809 4.189 1.00 0.00 O ATOM 989 CB SER A 64 -5.423 9.263 3.991 1.00 0.00 C ATOM 990 OG SER A 64 -5.141 9.748 2.691 1.00 0.00 O ATOM 0 H SER A 64 -5.496 11.878 5.173 1.00 0.00 H new ATOM 0 HA SER A 64 -4.272 9.272 5.801 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.217 8.194 4.036 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.483 9.393 4.208 1.00 0.00 H new ATOM 0 HG SER A 64 -5.980 9.961 2.232 1.00 0.00 H new ATOM 996 N TRP A 65 -2.369 9.750 4.102 1.00 0.00 N ATOM 997 CA TRP A 65 -1.127 10.197 3.483 1.00 0.00 C ATOM 998 C TRP A 65 -1.015 9.672 2.063 1.00 0.00 C ATOM 999 O TRP A 65 -1.338 8.520 1.789 1.00 0.00 O ATOM 1000 CB TRP A 65 0.072 9.732 4.308 1.00 0.00 C ATOM 1001 CG TRP A 65 0.344 10.616 5.480 1.00 0.00 C ATOM 1002 CD1 TRP A 65 0.605 11.953 5.450 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.375 10.228 6.857 1.00 0.00 C ATOM 1004 NE1 TRP A 65 0.793 12.424 6.723 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.657 11.384 7.607 1.00 0.00 C ATOM 1006 CE3 TRP A 65 0.189 9.017 7.527 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.756 11.362 8.995 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.289 8.997 8.905 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.570 10.163 9.626 1.00 0.00 C ATOM 0 H TRP A 65 -2.415 8.746 4.275 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.135 11.286 3.450 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.106 8.715 4.659 1.00 0.00 H new ATOM 0 HB3 TRP A 65 0.955 9.699 3.670 1.00 0.00 H new ATOM 0 HD1 TRP A 65 0.656 12.554 4.554 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.000 13.391 6.973 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.029 8.113 6.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 0.972 12.260 9.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.148 8.066 9.434 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.641 10.115 10.703 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.557 10.527 1.163 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.407 10.148 -0.234 1.00 0.00 C ATOM 1022 C ILE A 66 1.047 10.204 -0.669 1.00 0.00 C ATOM 1023 O ILE A 66 1.894 10.754 0.030 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.242 11.046 -1.162 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.501 12.355 -1.435 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.610 11.306 -0.548 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.356 13.423 -2.072 1.00 0.00 C ATOM 0 H ILE A 66 -0.283 11.487 1.374 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.769 9.123 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.390 10.537 -2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.101 12.737 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.350 12.150 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.193 11.943 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.130 10.359 -0.405 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.488 11.803 0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.758 14.320 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.735 13.063 -3.028 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.193 13.659 -1.415 1.00 0.00 H new ATOM 1039 N GLY A 67 1.324 9.625 -1.829 1.00 0.00 N ATOM 1040 CA GLY A 67 2.677 9.612 -2.352 1.00 0.00 C ATOM 1041 C GLY A 67 3.100 10.950 -2.931 1.00 0.00 C ATOM 1042 O GLY A 67 3.536 11.020 -4.077 1.00 0.00 O ATOM 0 H GLY A 67 0.633 9.162 -2.420 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.366 9.332 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.755 8.847 -3.124 1.00 0.00 H new ATOM 1046 N LEU A 68 2.977 12.014 -2.141 1.00 0.00 N ATOM 1047 CA LEU A 68 3.357 13.343 -2.601 1.00 0.00 C ATOM 1048 C LEU A 68 4.349 14.015 -1.657 1.00 0.00 C ATOM 1049 O LEU A 68 4.100 14.150 -0.459 1.00 0.00 O ATOM 1050 CB LEU A 68 2.120 14.235 -2.750 1.00 0.00 C ATOM 1051 CG LEU A 68 2.320 15.491 -3.605 1.00 0.00 C ATOM 1052 CD1 LEU A 68 3.164 16.525 -2.875 1.00 0.00 C ATOM 1053 CD2 LEU A 68 2.960 15.131 -4.931 1.00 0.00 C ATOM 0 H LEU A 68 2.620 11.981 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 68 3.840 13.215 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.315 13.643 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.790 14.540 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 68 1.339 15.928 -3.794 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.289 17.405 -3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.667 16.811 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.142 16.101 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.095 16.034 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.929 14.665 -4.753 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.316 14.435 -5.469 1.00 0.00 H new ATOM 1065 N ARG A 69 5.454 14.474 -2.230 1.00 0.00 N ATOM 1066 CA ARG A 69 6.484 15.184 -1.486 1.00 0.00 C ATOM 1067 C ARG A 69 6.990 16.358 -2.323 1.00 0.00 C ATOM 1068 O ARG A 69 7.476 16.164 -3.437 1.00 0.00 O ATOM 1069 CB ARG A 69 7.636 14.241 -1.128 1.00 0.00 C ATOM 1070 CG ARG A 69 8.911 14.958 -0.713 1.00 0.00 C ATOM 1071 CD ARG A 69 10.096 14.524 -1.561 1.00 0.00 C ATOM 1072 NE ARG A 69 11.363 14.689 -0.854 1.00 0.00 N ATOM 1073 CZ ARG A 69 12.179 13.680 -0.559 1.00 0.00 C ATOM 1074 NH1 ARG A 69 11.861 12.441 -0.907 1.00 0.00 N ATOM 1075 NH2 ARG A 69 13.314 13.913 0.086 1.00 0.00 N ATOM 0 H ARG A 69 5.661 14.364 -3.223 1.00 0.00 H new ATOM 0 HA ARG A 69 6.060 15.562 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.318 13.586 -0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.851 13.604 -1.986 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.771 16.035 -0.806 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.119 14.753 0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.974 13.479 -1.847 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.116 15.107 -2.482 1.00 0.00 H new ATOM 0 HE ARG A 69 11.638 15.630 -0.571 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.988 12.259 -1.403 1.00 0.00 H new ATOM 0 HH12 ARG A 69 12.489 11.670 -0.679 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.561 14.865 0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.940 13.140 0.312 1.00 0.00 H new ATOM 1089 N ASN A 70 6.872 17.572 -1.797 1.00 0.00 N ATOM 1090 CA ASN A 70 7.319 18.753 -2.531 1.00 0.00 C ATOM 1091 C ASN A 70 8.728 19.156 -2.116 1.00 0.00 C ATOM 1092 O ASN A 70 9.070 19.137 -0.934 1.00 0.00 O ATOM 1093 CB ASN A 70 6.346 19.916 -2.322 1.00 0.00 C ATOM 1094 CG ASN A 70 6.989 21.264 -2.585 1.00 0.00 C ATOM 1095 OD1 ASN A 70 6.965 21.767 -3.708 1.00 0.00 O ATOM 1096 ND2 ASN A 70 7.569 21.856 -1.548 1.00 0.00 N ATOM 0 H ASN A 70 6.476 17.765 -0.877 1.00 0.00 H new ATOM 0 HA ASN A 70 7.338 18.502 -3.592 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.488 19.791 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.968 19.890 -1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.018 22.764 -1.665 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.565 21.403 -0.634 1.00 0.00 H new ATOM 1196 N PHE A 77 5.658 19.912 -6.494 1.00 0.00 N ATOM 1197 CA PHE A 77 5.255 18.692 -5.812 1.00 0.00 C ATOM 1198 C PHE A 77 5.621 17.471 -6.645 1.00 0.00 C ATOM 1199 O PHE A 77 5.174 17.322 -7.782 1.00 0.00 O ATOM 1200 CB PHE A 77 3.744 18.685 -5.528 1.00 0.00 C ATOM 1201 CG PHE A 77 3.168 19.986 -5.020 1.00 0.00 C ATOM 1202 CD1 PHE A 77 3.969 21.097 -4.786 1.00 0.00 C ATOM 1203 CD2 PHE A 77 1.805 20.095 -4.789 1.00 0.00 C ATOM 1204 CE1 PHE A 77 3.424 22.283 -4.338 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.257 21.280 -4.338 1.00 0.00 C ATOM 1206 CZ PHE A 77 2.066 22.375 -4.114 1.00 0.00 C ATOM 0 HA PHE A 77 5.787 18.655 -4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.222 18.411 -6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.534 17.905 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.033 21.031 -4.957 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.164 19.243 -4.964 1.00 0.00 H new ATOM 0 HE1 PHE A 77 4.060 23.138 -4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.194 21.350 -4.160 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.637 23.302 -3.764 1.00 0.00 H new ATOM 1216 N ILE A 78 6.438 16.603 -6.069 1.00 0.00 N ATOM 1217 CA ILE A 78 6.873 15.391 -6.742 1.00 0.00 C ATOM 1218 C ILE A 78 6.429 14.160 -5.964 1.00 0.00 C ATOM 1219 O ILE A 78 6.459 14.148 -4.737 1.00 0.00 O ATOM 1220 CB ILE A 78 8.406 15.378 -6.925 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.752 15.638 -8.400 1.00 0.00 C ATOM 1222 CG2 ILE A 78 9.009 14.069 -6.418 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.611 14.570 -9.049 1.00 0.00 C ATOM 0 H ILE A 78 6.816 16.718 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 78 6.410 15.371 -7.728 1.00 0.00 H new ATOM 0 HB ILE A 78 8.845 16.176 -6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.825 15.732 -8.965 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.269 16.595 -8.474 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.090 14.087 -6.559 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.784 13.951 -5.358 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.585 13.233 -6.974 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.803 14.839 -10.088 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.557 14.489 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.091 13.613 -9.013 1.00 0.00 H new ATOM 1235 N TRP A 79 6.016 13.125 -6.682 1.00 0.00 N ATOM 1236 CA TRP A 79 5.565 11.898 -6.044 1.00 0.00 C ATOM 1237 C TRP A 79 6.751 11.114 -5.498 1.00 0.00 C ATOM 1238 O TRP A 79 7.852 11.175 -6.044 1.00 0.00 O ATOM 1239 CB TRP A 79 4.791 11.019 -7.035 1.00 0.00 C ATOM 1240 CG TRP A 79 3.485 11.604 -7.489 1.00 0.00 C ATOM 1241 CD1 TRP A 79 3.031 12.873 -7.281 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.465 10.932 -8.240 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.791 13.032 -7.850 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.423 11.855 -8.446 1.00 0.00 C ATOM 1245 CE3 TRP A 79 2.333 9.640 -8.757 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.265 11.526 -9.147 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 1.184 9.315 -9.452 1.00 0.00 C ATOM 1248 CH2 TRP A 79 0.163 10.254 -9.641 1.00 0.00 C ATOM 0 H TRP A 79 5.984 13.111 -7.701 1.00 0.00 H new ATOM 0 HA TRP A 79 4.904 12.174 -5.223 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.418 10.837 -7.908 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.601 10.051 -6.572 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.569 13.642 -6.746 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.235 13.887 -7.832 1.00 0.00 H new ATOM 0 HE3 TRP A 79 3.115 8.909 -8.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -0.524 12.249 -9.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 1.072 8.320 -9.856 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -0.723 9.969 -10.188 1.00 0.00 H new ATOM 1259 N VAL A 80 6.515 10.377 -4.420 1.00 0.00 N ATOM 1260 CA VAL A 80 7.557 9.570 -3.797 1.00 0.00 C ATOM 1261 C VAL A 80 8.108 8.551 -4.791 1.00 0.00 C ATOM 1262 O VAL A 80 9.244 8.092 -4.668 1.00 0.00 O ATOM 1263 CB VAL A 80 7.008 8.833 -2.559 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.603 8.334 -2.831 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.923 7.688 -2.144 1.00 0.00 C ATOM 0 H VAL A 80 5.608 10.321 -3.957 1.00 0.00 H new ATOM 0 HA VAL A 80 8.359 10.239 -3.486 1.00 0.00 H new ATOM 0 HB VAL A 80 6.973 9.538 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.224 7.815 -1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.955 9.180 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.618 7.648 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.507 7.189 -1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.006 6.974 -2.963 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.911 8.081 -1.903 1.00 0.00 H new ATOM 1275 N ASP A 81 7.291 8.213 -5.784 1.00 0.00 N ATOM 1276 CA ASP A 81 7.685 7.254 -6.810 1.00 0.00 C ATOM 1277 C ASP A 81 8.611 7.909 -7.828 1.00 0.00 C ATOM 1278 O ASP A 81 9.079 7.262 -8.765 1.00 0.00 O ATOM 1279 CB ASP A 81 6.449 6.690 -7.513 1.00 0.00 C ATOM 1280 CG ASP A 81 6.760 5.443 -8.319 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.476 4.563 -7.797 1.00 0.00 O ATOM 1282 OD2 ASP A 81 6.288 5.348 -9.471 1.00 0.00 O ATOM 0 H ASP A 81 6.350 8.590 -5.900 1.00 0.00 H new ATOM 0 HA ASP A 81 8.220 6.436 -6.327 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.686 6.458 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.031 7.451 -8.172 1.00 0.00 H new ATOM 1287 N GLY A 82 8.872 9.195 -7.631 1.00 0.00 N ATOM 1288 CA GLY A 82 9.743 9.924 -8.528 1.00 0.00 C ATOM 1289 C GLY A 82 9.026 10.422 -9.768 1.00 0.00 C ATOM 1290 O GLY A 82 9.617 10.492 -10.846 1.00 0.00 O ATOM 0 H GLY A 82 8.493 9.747 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.174 10.773 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.571 9.280 -8.826 1.00 0.00 H new ATOM 1294 N SER A 83 7.751 10.772 -9.619 1.00 0.00 N ATOM 1295 CA SER A 83 6.962 11.265 -10.743 1.00 0.00 C ATOM 1296 C SER A 83 6.192 12.529 -10.367 1.00 0.00 C ATOM 1297 O SER A 83 5.391 12.522 -9.438 1.00 0.00 O ATOM 1298 CB SER A 83 5.990 10.186 -11.222 1.00 0.00 C ATOM 1299 OG SER A 83 5.701 10.336 -12.601 1.00 0.00 O ATOM 0 H SER A 83 7.245 10.724 -8.735 1.00 0.00 H new ATOM 0 HA SER A 83 7.650 11.513 -11.551 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.419 9.200 -11.042 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.067 10.242 -10.645 1.00 0.00 H new ATOM 0 HG SER A 83 5.079 9.633 -12.883 1.00 0.00 H new ATOM 1305 N HIS A 84 6.440 13.612 -11.098 1.00 0.00 N ATOM 1306 CA HIS A 84 5.766 14.879 -10.837 1.00 0.00 C ATOM 1307 C HIS A 84 4.250 14.708 -10.869 1.00 0.00 C ATOM 1308 O HIS A 84 3.724 13.860 -11.590 1.00 0.00 O ATOM 1309 CB HIS A 84 6.200 15.930 -11.862 1.00 0.00 C ATOM 1310 CG HIS A 84 5.426 17.211 -11.780 1.00 0.00 C ATOM 1311 ND1 HIS A 84 5.339 17.967 -10.631 1.00 0.00 N ATOM 1312 CD2 HIS A 84 4.700 17.867 -12.716 1.00 0.00 C ATOM 1313 CE1 HIS A 84 4.594 19.033 -10.863 1.00 0.00 C ATOM 1314 NE2 HIS A 84 4.194 18.996 -12.120 1.00 0.00 N ATOM 0 H HIS A 84 7.101 13.637 -11.874 1.00 0.00 H new ATOM 0 HA HIS A 84 6.050 15.216 -9.840 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.259 16.146 -11.720 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.091 15.514 -12.864 1.00 0.00 H new ATOM 0 HD1 HIS A 84 5.781 17.739 -9.740 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.547 17.560 -13.740 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.353 19.804 -10.146 1.00 0.00 H new ATOM 1323 N VAL A 85 3.559 15.520 -10.077 1.00 0.00 N ATOM 1324 CA VAL A 85 2.102 15.471 -9.999 1.00 0.00 C ATOM 1325 C VAL A 85 1.463 15.594 -11.381 1.00 0.00 C ATOM 1326 O VAL A 85 2.064 16.139 -12.307 1.00 0.00 O ATOM 1327 CB VAL A 85 1.555 16.589 -9.089 1.00 0.00 C ATOM 1328 CG1 VAL A 85 0.052 16.455 -8.918 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.247 16.562 -7.739 1.00 0.00 C ATOM 0 H VAL A 85 3.987 16.225 -9.476 1.00 0.00 H new ATOM 0 HA VAL A 85 1.842 14.502 -9.574 1.00 0.00 H new ATOM 0 HB VAL A 85 1.761 17.548 -9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.313 17.254 -8.272 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.433 16.525 -9.892 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.178 15.490 -8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.848 17.358 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.072 15.599 -7.260 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.318 16.710 -7.876 1.00 0.00 H new ATOM 1339 N ASP A 86 0.241 15.082 -11.511 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.479 15.131 -12.778 1.00 0.00 C ATOM 1341 C ASP A 86 -1.829 15.829 -12.621 1.00 0.00 C ATOM 1342 O ASP A 86 -2.120 16.798 -13.324 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.686 13.717 -13.325 1.00 0.00 C ATOM 1344 CG ASP A 86 0.610 13.082 -13.789 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.438 12.721 -12.926 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.797 12.945 -15.017 1.00 0.00 O ATOM 0 H ASP A 86 -0.270 14.629 -10.753 1.00 0.00 H new ATOM 0 HA ASP A 86 0.123 15.705 -13.482 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.137 13.094 -12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.389 13.751 -14.157 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.653 15.328 -11.705 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.975 15.905 -11.469 1.00 0.00 C ATOM 1353 C TYR A 87 -3.976 16.816 -10.247 1.00 0.00 C ATOM 1354 O TYR A 87 -4.504 17.927 -10.291 1.00 0.00 O ATOM 1355 CB TYR A 87 -5.017 14.798 -11.296 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.325 14.050 -12.573 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -6.332 14.482 -13.428 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -4.610 12.913 -12.924 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -6.616 13.802 -14.596 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -4.888 12.228 -14.092 1.00 0.00 C ATOM 1361 CZ TYR A 87 -5.893 12.676 -14.923 1.00 0.00 C ATOM 1362 OH TYR A 87 -6.172 11.996 -16.086 1.00 0.00 O ATOM 0 H TYR A 87 -2.431 14.526 -11.115 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.233 16.507 -12.340 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.662 14.090 -10.547 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.938 15.235 -10.910 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.902 15.364 -13.175 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -3.824 12.558 -12.274 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -7.401 14.151 -15.250 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -4.321 11.346 -14.352 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.571 11.226 -16.167 1.00 0.00 H new ATOM 1372 N SER A 88 -3.381 16.335 -9.158 1.00 0.00 N ATOM 1373 CA SER A 88 -3.305 17.094 -7.908 1.00 0.00 C ATOM 1374 C SER A 88 -4.699 17.392 -7.358 1.00 0.00 C ATOM 1375 O SER A 88 -5.673 17.442 -8.107 1.00 0.00 O ATOM 1376 CB SER A 88 -2.535 18.400 -8.112 1.00 0.00 C ATOM 1377 OG SER A 88 -2.053 18.519 -9.440 1.00 0.00 O ATOM 0 H SER A 88 -2.941 15.416 -9.115 1.00 0.00 H new ATOM 0 HA SER A 88 -2.772 16.480 -7.182 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.184 19.245 -7.883 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.698 18.442 -7.415 1.00 0.00 H new ATOM 0 HG SER A 88 -1.567 19.365 -9.537 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.792 17.578 -6.042 1.00 0.00 N ATOM 1384 CA ASN A 89 -6.076 17.855 -5.410 1.00 0.00 C ATOM 1385 C ASN A 89 -5.989 18.984 -4.377 1.00 0.00 C ATOM 1386 O ASN A 89 -7.024 19.468 -3.920 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.612 16.591 -4.738 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.038 15.528 -5.728 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.232 15.802 -6.912 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.193 14.303 -5.241 1.00 0.00 N ATOM 0 H ASN A 89 -4.000 17.542 -5.400 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.756 18.180 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.844 16.181 -4.082 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.462 16.854 -4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.484 13.543 -5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -7.021 14.122 -4.252 1.00 0.00 H new ATOM 1592 N CYS A 104 4.548 18.453 1.880 1.00 0.00 N ATOM 1593 CA CYS A 104 3.822 17.205 1.695 1.00 0.00 C ATOM 1594 C CYS A 104 2.332 17.477 1.531 1.00 0.00 C ATOM 1595 O CYS A 104 1.847 18.556 1.874 1.00 0.00 O ATOM 1596 CB CYS A 104 4.058 16.265 2.880 1.00 0.00 C ATOM 1597 SG CYS A 104 4.012 17.090 4.502 1.00 0.00 S ATOM 0 HA CYS A 104 4.193 16.724 0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.303 15.479 2.862 1.00 0.00 H new ATOM 0 HB3 CYS A 104 5.026 15.780 2.758 1.00 0.00 H new ATOM 0 HG CYS A 104 4.373 18.332 4.368 1.00 0.00 H new ATOM 1602 N VAL A 105 1.610 16.504 0.993 1.00 0.00 N ATOM 1603 CA VAL A 105 0.182 16.656 0.776 1.00 0.00 C ATOM 1604 C VAL A 105 -0.627 15.650 1.591 1.00 0.00 C ATOM 1605 O VAL A 105 -0.286 14.469 1.667 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.163 16.514 -0.715 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.665 16.474 -0.923 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.448 17.659 -1.503 1.00 0.00 C ATOM 0 H VAL A 105 1.990 15.604 0.700 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.086 17.658 1.112 1.00 0.00 H new ATOM 0 HB VAL A 105 0.254 15.573 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.883 16.373 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.084 15.624 -0.385 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.109 17.396 -0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.198 17.549 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.054 18.606 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.531 17.645 -1.384 1.00 0.00 H new ATOM 1618 N MET A 106 -1.702 16.142 2.200 1.00 0.00 N ATOM 1619 CA MET A 106 -2.583 15.318 3.020 1.00 0.00 C ATOM 1620 C MET A 106 -4.040 15.595 2.661 1.00 0.00 C ATOM 1621 O MET A 106 -4.333 16.544 1.945 1.00 0.00 O ATOM 1622 CB MET A 106 -2.339 15.595 4.507 1.00 0.00 C ATOM 1623 CG MET A 106 -3.062 16.829 5.027 1.00 0.00 C ATOM 1624 SD MET A 106 -4.138 16.463 6.427 1.00 0.00 S ATOM 1625 CE MET A 106 -5.136 17.949 6.483 1.00 0.00 C ATOM 0 H MET A 106 -1.986 17.120 2.139 1.00 0.00 H new ATOM 0 HA MET A 106 -2.366 14.268 2.824 1.00 0.00 H new ATOM 0 HB2 MET A 106 -2.657 14.728 5.086 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.269 15.715 4.674 1.00 0.00 H new ATOM 0 HG2 MET A 106 -2.328 17.578 5.324 1.00 0.00 H new ATOM 0 HG3 MET A 106 -3.654 17.265 4.222 1.00 0.00 H new ATOM 0 HE1 MET A 106 -5.853 17.875 7.300 1.00 0.00 H new ATOM 0 HE2 MET A 106 -4.492 18.814 6.642 1.00 0.00 H new ATOM 0 HE3 MET A 106 -5.671 18.064 5.540 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.517 17.090 -1.014 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.199 17.274 -0.427 1.00 0.00 C ATOM 1727 C TRP A 113 -5.960 18.708 -0.024 1.00 0.00 C ATOM 1728 O TRP A 113 -6.595 19.631 -0.523 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.079 16.959 -1.415 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.087 15.604 -2.026 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.897 14.552 -1.737 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.210 15.175 -3.062 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.574 13.483 -2.539 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.536 13.843 -3.364 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.179 15.802 -3.764 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.861 13.118 -4.344 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.508 15.085 -4.738 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.852 13.754 -5.020 1.00 0.00 C ATOM 0 HA TRP A 113 -6.184 16.599 0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.118 17.694 -2.219 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.126 17.096 -0.904 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.677 14.555 -0.990 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.031 12.571 -2.524 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.911 16.826 -3.551 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.123 12.093 -4.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.708 15.556 -5.289 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.310 13.219 -5.786 1.00 0.00 H new ATOM 1749 N ASN A 114 -4.964 18.872 0.819 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.519 20.173 1.235 1.00 0.00 C ATOM 1751 C ASN A 114 -2.998 20.146 1.246 1.00 0.00 C ATOM 1752 O ASN A 114 -2.386 19.349 1.958 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.063 20.520 2.622 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.555 20.792 2.606 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.360 19.887 2.388 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -6.931 22.045 2.834 1.00 0.00 N ATOM 0 H ASN A 114 -4.442 18.100 1.234 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.886 20.937 0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.853 19.699 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.541 21.396 3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -7.922 22.288 2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.229 22.764 3.010 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.395 21.003 0.439 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.946 21.062 0.340 1.00 0.00 C ATOM 1765 C ASP A 115 -0.357 21.955 1.425 1.00 0.00 C ATOM 1766 O ASP A 115 -0.526 23.174 1.401 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.543 21.564 -1.043 1.00 0.00 C ATOM 1768 CG ASP A 115 0.961 21.558 -1.229 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.531 20.465 -1.429 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.569 22.647 -1.171 1.00 0.00 O ATOM 0 H ASP A 115 -2.887 21.668 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.548 20.058 0.485 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -1.006 20.938 -1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.923 22.575 -1.187 1.00 0.00 H new ATOM 1891 N GLY A 123 -4.174 10.928 11.479 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.664 9.745 12.150 1.00 0.00 C ATOM 1893 C GLY A 123 -3.933 8.453 11.402 1.00 0.00 C ATOM 1894 O GLY A 123 -4.421 7.486 11.987 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.589 9.854 12.292 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.112 9.680 13.142 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.603 8.424 10.115 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.803 7.227 9.306 1.00 0.00 C ATOM 1900 C ALA A 124 -2.801 7.171 8.160 1.00 0.00 C ATOM 1901 O ALA A 124 -2.641 8.142 7.421 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.227 7.175 8.774 1.00 0.00 C ATOM 0 H ALA A 124 -3.197 9.213 9.611 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.639 6.357 9.941 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.358 6.275 8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.927 7.158 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.418 8.054 8.158 1.00 0.00 H new ATOM 1908 N TRP A 125 -2.131 6.031 8.012 1.00 0.00 N ATOM 1909 CA TRP A 125 -1.151 5.861 6.951 1.00 0.00 C ATOM 1910 C TRP A 125 -1.713 4.995 5.835 1.00 0.00 C ATOM 1911 O TRP A 125 -2.394 3.992 6.083 1.00 0.00 O ATOM 1912 CB TRP A 125 0.154 5.257 7.488 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.032 4.156 8.493 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -1.025 3.218 8.521 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.814 3.876 9.615 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.850 2.377 9.594 1.00 0.00 N ATOM 1917 CE2 TRP A 125 0.272 2.760 10.279 1.00 0.00 C ATOM 1918 CE3 TRP A 125 1.977 4.463 10.122 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 0.854 2.219 11.423 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 2.554 3.924 11.258 1.00 0.00 C ATOM 1921 CH2 TRP A 125 1.993 2.812 11.897 1.00 0.00 C ATOM 0 H TRP A 125 -2.250 5.216 8.613 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.925 6.848 6.548 1.00 0.00 H new ATOM 0 HB2 TRP A 125 0.732 4.871 6.649 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.745 6.051 7.944 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -1.830 3.148 7.805 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.457 1.595 9.840 1.00 0.00 H new ATOM 0 HE3 TRP A 125 2.417 5.321 9.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 0.422 1.362 11.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 3.453 4.369 11.659 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.468 2.414 12.781 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.443 5.394 4.602 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.936 4.661 3.458 1.00 0.00 C ATOM 1934 C VAL A 126 -0.854 4.448 2.393 1.00 0.00 C ATOM 1935 O VAL A 126 -0.188 5.389 1.961 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.170 5.363 2.845 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -3.169 6.843 3.167 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.253 5.132 1.348 1.00 0.00 C ATOM 0 H VAL A 126 -0.887 6.218 4.373 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.234 3.676 3.817 1.00 0.00 H new ATOM 0 HB VAL A 126 -4.058 4.920 3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -4.047 7.312 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -3.191 6.980 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.268 7.303 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -4.132 5.639 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.357 5.527 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.329 4.063 1.148 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.704 3.191 1.980 1.00 0.00 N ATOM 1949 CA CYS A 127 0.271 2.789 0.958 1.00 0.00 C ATOM 1950 C CYS A 127 -0.342 1.730 0.054 1.00 0.00 C ATOM 1951 O CYS A 127 -1.330 1.117 0.417 1.00 0.00 O ATOM 1952 CB CYS A 127 1.547 2.238 1.592 1.00 0.00 C ATOM 1953 SG CYS A 127 2.333 3.357 2.790 1.00 0.00 S ATOM 0 H CYS A 127 -1.257 2.415 2.345 1.00 0.00 H new ATOM 0 HA CYS A 127 0.532 3.672 0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.314 1.297 2.091 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.262 2.011 0.802 1.00 0.00 H new ATOM 1958 N ASP A 128 0.236 1.496 -1.113 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.313 0.487 -2.001 1.00 0.00 C ATOM 1960 C ASP A 128 0.739 -0.530 -2.410 1.00 0.00 C ATOM 1961 O ASP A 128 1.899 -0.197 -2.632 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.918 1.143 -3.244 1.00 0.00 C ATOM 1963 CG ASP A 128 -0.045 2.251 -3.800 1.00 0.00 C ATOM 1964 OD1 ASP A 128 1.187 2.194 -3.607 1.00 0.00 O ATOM 1965 OD2 ASP A 128 -0.596 3.179 -4.430 1.00 0.00 O ATOM 0 H ASP A 128 1.065 1.978 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.096 -0.040 -1.456 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.071 0.385 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.899 1.548 -2.996 1.00 0.00 H new ATOM 1970 N ARG A 129 0.297 -1.773 -2.514 1.00 0.00 N ATOM 1971 CA ARG A 129 1.157 -2.883 -2.904 1.00 0.00 C ATOM 1972 C ARG A 129 0.314 -3.998 -3.503 1.00 0.00 C ATOM 1973 O ARG A 129 -0.910 -3.959 -3.431 1.00 0.00 O ATOM 1974 CB ARG A 129 1.940 -3.406 -1.695 1.00 0.00 C ATOM 1975 CG ARG A 129 1.181 -4.425 -0.858 1.00 0.00 C ATOM 1976 CD ARG A 129 1.981 -5.704 -0.680 1.00 0.00 C ATOM 1977 NE ARG A 129 1.588 -6.433 0.524 1.00 0.00 N ATOM 1978 CZ ARG A 129 2.361 -7.329 1.129 1.00 0.00 C ATOM 1979 NH1 ARG A 129 3.564 -7.608 0.644 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.932 -7.948 2.220 1.00 0.00 N ATOM 0 H ARG A 129 -0.669 -2.043 -2.330 1.00 0.00 H new ATOM 0 HA ARG A 129 1.870 -2.531 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.868 -3.858 -2.044 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.215 -2.563 -1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.953 -3.998 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.229 -4.654 -1.336 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.842 -6.343 -1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.043 -5.463 -0.627 1.00 0.00 H new ATOM 0 HE ARG A 129 0.668 -6.243 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.898 -7.134 -0.195 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.155 -8.296 1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 129 1.008 -7.737 2.596 1.00 0.00 H new ATOM 0 HH22 ARG A 129 2.526 -8.635 2.683 1.00 0.00 H new ATOM 1994 N LEU A 130 0.965 -4.995 -4.083 1.00 0.00 N ATOM 1995 CA LEU A 130 0.245 -6.112 -4.679 1.00 0.00 C ATOM 1996 C LEU A 130 -0.260 -7.063 -3.602 1.00 0.00 C ATOM 1997 O LEU A 130 0.474 -7.428 -2.685 1.00 0.00 O ATOM 1998 CB LEU A 130 1.134 -6.854 -5.678 1.00 0.00 C ATOM 1999 CG LEU A 130 1.771 -5.972 -6.755 1.00 0.00 C ATOM 2000 CD1 LEU A 130 2.117 -6.798 -7.984 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.849 -4.816 -7.129 1.00 0.00 C ATOM 0 H LEU A 130 1.981 -5.055 -4.154 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.617 -5.715 -5.215 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.927 -7.361 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.540 -7.626 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 130 2.691 -5.553 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.569 -6.155 -8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 130 2.821 -7.583 -7.708 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.210 -7.249 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.325 -4.205 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.092 -5.211 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.655 -4.206 -6.247 1.00 0.00 H new