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= -2.15 K(o=-2.2,f=-0.15) USER MOD Set 1.2: A 56 THR OG1 : rot -170:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.893 X(o=-0.89,f=-0.43) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 CYS SG : rot 180:sc= -1.76 USER MOD Single : A 20 TYR OH : rot 104:sc= 0.809 USER MOD Single : A 21 TYR OH : rot 100:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.4!) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 150:sc= -0.0641 (180deg=-1.28) USER MOD Single : A 42 GLN : amide:sc=-0.00114 X(o=-0.0011,f=-0.31) USER MOD Single : A 45 SER OG : rot 111:sc= 0.667 USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -0.439 K(o=-0.44,f=-2.6!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.579 USER MOD Single : A 70 ASN : amide:sc= 0.0936 X(o=0.094,f=-0.29!) USER MOD Single : A 83 SER OG : rot -114:sc= 0.0176 USER MOD Single : A 84 HIS : no HD1:sc= -2.37 K(o=-2.4,f=-1.3) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.889 USER MOD Single : A 89 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.4) USER MOD Single : A 104 CYS SG : rot -132:sc= 0.955 USER MOD Single : A 106 MET CE :methyl 157:sc= -0.0736 (180deg=-0.385) USER MOD Single : A 114 ASN : amide:sc=-0.00197 X(o=-0.002,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 134 N LYS A 11 -9.568 -1.972 6.408 1.00 0.00 N ATOM 135 CA LYS A 11 -9.036 -0.783 5.751 1.00 0.00 C ATOM 136 C LYS A 11 -8.468 -1.151 4.388 1.00 0.00 C ATOM 137 O LYS A 11 -9.035 -0.800 3.354 1.00 0.00 O ATOM 138 CB LYS A 11 -7.954 -0.138 6.616 1.00 0.00 C ATOM 139 CG LYS A 11 -8.414 0.182 8.029 1.00 0.00 C ATOM 140 CD LYS A 11 -7.382 -0.246 9.060 1.00 0.00 C ATOM 141 CE LYS A 11 -8.042 -0.739 10.338 1.00 0.00 C ATOM 142 NZ LYS A 11 -7.923 -2.215 10.491 1.00 0.00 N ATOM 0 HA LYS A 11 -9.846 -0.066 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.094 -0.806 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.617 0.781 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.598 1.253 8.119 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.360 -0.322 8.228 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.757 -1.036 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.725 0.593 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.584 -0.247 11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.095 -0.458 10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.385 -2.511 11.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.382 -2.686 9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.918 -2.481 10.520 1.00 0.00 H new ATOM 155 N TRP A 12 -7.349 -1.873 4.404 1.00 0.00 N ATOM 156 CA TRP A 12 -6.692 -2.320 3.176 1.00 0.00 C ATOM 157 C TRP A 12 -7.735 -2.767 2.151 1.00 0.00 C ATOM 158 O TRP A 12 -8.687 -3.467 2.494 1.00 0.00 O ATOM 159 CB TRP A 12 -5.719 -3.474 3.466 1.00 0.00 C ATOM 160 CG TRP A 12 -4.916 -3.326 4.733 1.00 0.00 C ATOM 161 CD1 TRP A 12 -4.832 -2.230 5.545 1.00 0.00 C ATOM 162 CD2 TRP A 12 -4.072 -4.323 5.325 1.00 0.00 C ATOM 163 NE1 TRP A 12 -3.999 -2.487 6.607 1.00 0.00 N ATOM 164 CE2 TRP A 12 -3.518 -3.764 6.493 1.00 0.00 C ATOM 165 CE3 TRP A 12 -3.733 -5.635 4.982 1.00 0.00 C ATOM 166 CZ2 TRP A 12 -2.647 -4.472 7.317 1.00 0.00 C ATOM 167 CZ3 TRP A 12 -2.867 -6.335 5.801 1.00 0.00 C ATOM 168 CH2 TRP A 12 -2.332 -5.754 6.956 1.00 0.00 C ATOM 0 H TRP A 12 -6.875 -2.163 5.260 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.126 -1.482 2.769 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.286 -4.403 3.520 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.031 -3.569 2.626 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -5.347 -1.296 5.376 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.775 -1.833 7.358 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -4.140 -6.094 4.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -2.235 -4.025 8.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -2.598 -7.349 5.545 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.658 -6.328 7.574 1.00 0.00 H new ATOM 179 N ILE A 13 -7.566 -2.343 0.899 1.00 0.00 N ATOM 180 CA ILE A 13 -8.519 -2.691 -0.155 1.00 0.00 C ATOM 181 C ILE A 13 -7.832 -3.231 -1.410 1.00 0.00 C ATOM 182 O ILE A 13 -6.947 -2.590 -1.970 1.00 0.00 O ATOM 183 CB ILE A 13 -9.379 -1.475 -0.551 1.00 0.00 C ATOM 184 CG1 ILE A 13 -9.121 -0.298 0.406 1.00 0.00 C ATOM 185 CG2 ILE A 13 -10.849 -1.861 -0.569 1.00 0.00 C ATOM 186 CD1 ILE A 13 -10.372 0.432 0.858 1.00 0.00 C ATOM 0 H ILE A 13 -6.785 -1.763 0.591 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.151 -3.476 0.261 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.100 -1.153 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.595 -0.670 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.458 0.414 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.449 -0.995 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.006 -2.661 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.147 -2.203 0.422 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.096 1.245 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.890 0.838 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.030 -0.262 1.381 1.00 0.00 H new ATOM 198 N ASN A 14 -8.266 -4.410 -1.856 1.00 0.00 N ATOM 199 CA ASN A 14 -7.709 -5.038 -3.053 1.00 0.00 C ATOM 200 C ASN A 14 -8.660 -4.893 -4.238 1.00 0.00 C ATOM 201 O ASN A 14 -9.875 -4.797 -4.061 1.00 0.00 O ATOM 202 CB ASN A 14 -7.417 -6.518 -2.794 1.00 0.00 C ATOM 203 CG ASN A 14 -7.060 -7.269 -4.063 1.00 0.00 C ATOM 204 OD1 ASN A 14 -7.861 -8.047 -4.582 1.00 0.00 O ATOM 205 ND2 ASN A 14 -5.855 -7.038 -4.569 1.00 0.00 N ATOM 0 H ASN A 14 -9.004 -4.950 -1.404 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.776 -4.530 -3.296 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.597 -6.604 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.289 -6.982 -2.334 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.560 -7.514 -5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.224 -6.385 -4.105 1.00 0.00 H new ATOM 212 N PHE A 15 -8.102 -4.873 -5.447 1.00 0.00 N ATOM 213 CA PHE A 15 -8.903 -4.735 -6.658 1.00 0.00 C ATOM 214 C PHE A 15 -8.566 -5.836 -7.663 1.00 0.00 C ATOM 215 O PHE A 15 -8.546 -7.016 -7.312 1.00 0.00 O ATOM 216 CB PHE A 15 -8.679 -3.354 -7.282 1.00 0.00 C ATOM 217 CG PHE A 15 -8.539 -2.250 -6.274 1.00 0.00 C ATOM 218 CD1 PHE A 15 -9.658 -1.609 -5.767 1.00 0.00 C ATOM 219 CD2 PHE A 15 -7.287 -1.856 -5.833 1.00 0.00 C ATOM 220 CE1 PHE A 15 -9.528 -0.594 -4.838 1.00 0.00 C ATOM 221 CE2 PHE A 15 -7.152 -0.842 -4.905 1.00 0.00 C ATOM 222 CZ PHE A 15 -8.274 -0.210 -4.407 1.00 0.00 C ATOM 0 H PHE A 15 -7.098 -4.951 -5.612 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.955 -4.834 -6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -7.781 -3.386 -7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.514 -3.125 -7.944 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.641 -1.905 -6.101 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.406 -2.347 -6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.407 -0.101 -4.449 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.170 -0.544 -4.569 1.00 0.00 H new ATOM 0 HZ PHE A 15 -8.171 0.583 -3.682 1.00 0.00 H new ATOM 232 N GLN A 16 -8.304 -5.448 -8.913 1.00 0.00 N ATOM 233 CA GLN A 16 -7.970 -6.406 -9.960 1.00 0.00 C ATOM 234 C GLN A 16 -6.875 -7.362 -9.496 1.00 0.00 C ATOM 235 O GLN A 16 -6.984 -8.575 -9.670 1.00 0.00 O ATOM 236 CB GLN A 16 -7.521 -5.675 -11.227 1.00 0.00 C ATOM 237 CG GLN A 16 -6.567 -4.523 -10.960 1.00 0.00 C ATOM 238 CD GLN A 16 -7.055 -3.214 -11.550 1.00 0.00 C ATOM 239 OE1 GLN A 16 -8.183 -2.789 -11.297 1.00 0.00 O ATOM 240 NE2 GLN A 16 -6.207 -2.568 -12.340 1.00 0.00 N ATOM 0 H GLN A 16 -8.318 -4.476 -9.221 1.00 0.00 H new ATOM 0 HA GLN A 16 -8.865 -6.988 -10.182 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -7.038 -6.388 -11.896 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.400 -5.295 -11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.436 -4.406 -9.884 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.588 -4.762 -11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -5.282 -2.957 -12.522 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -6.480 -1.682 -12.765 1.00 0.00 H new ATOM 249 N ARG A 17 -5.823 -6.807 -8.901 1.00 0.00 N ATOM 250 CA ARG A 17 -4.714 -7.617 -8.409 1.00 0.00 C ATOM 251 C ARG A 17 -3.818 -6.816 -7.473 1.00 0.00 C ATOM 252 O ARG A 17 -2.842 -7.340 -6.935 1.00 0.00 O ATOM 253 CB ARG A 17 -3.895 -8.168 -9.578 1.00 0.00 C ATOM 254 CG ARG A 17 -3.524 -7.115 -10.609 1.00 0.00 C ATOM 255 CD ARG A 17 -2.119 -7.334 -11.148 1.00 0.00 C ATOM 256 NE ARG A 17 -1.897 -6.623 -12.404 1.00 0.00 N ATOM 257 CZ ARG A 17 -0.718 -6.554 -13.015 1.00 0.00 C ATOM 258 NH1 ARG A 17 0.342 -7.153 -12.490 1.00 0.00 N ATOM 259 NH2 ARG A 17 -0.599 -5.886 -14.156 1.00 0.00 N ATOM 0 H ARG A 17 -5.716 -5.804 -8.748 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.134 -8.451 -7.846 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -2.983 -8.622 -9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -4.462 -8.960 -10.067 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -4.239 -7.142 -11.432 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.592 -6.124 -10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.391 -7.000 -10.409 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.952 -8.400 -11.301 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.692 -6.153 -12.837 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.255 -7.669 -11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.245 -7.098 -12.962 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.412 -5.425 -14.564 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.306 -5.833 -14.624 1.00 0.00 H new ATOM 273 N LYS A 18 -4.159 -5.549 -7.273 1.00 0.00 N ATOM 274 CA LYS A 18 -3.398 -4.684 -6.397 1.00 0.00 C ATOM 275 C LYS A 18 -4.238 -4.306 -5.188 1.00 0.00 C ATOM 276 O LYS A 18 -5.464 -4.350 -5.236 1.00 0.00 O ATOM 277 CB LYS A 18 -2.959 -3.427 -7.143 1.00 0.00 C ATOM 278 CG LYS A 18 -4.061 -2.391 -7.272 1.00 0.00 C ATOM 279 CD LYS A 18 -3.931 -1.598 -8.562 1.00 0.00 C ATOM 280 CE LYS A 18 -3.918 -0.101 -8.296 1.00 0.00 C ATOM 281 NZ LYS A 18 -4.713 0.649 -9.308 1.00 0.00 N ATOM 0 H LYS A 18 -4.964 -5.101 -7.711 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.509 -5.218 -6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.110 -2.982 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.613 -3.706 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.032 -2.886 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.025 -1.711 -6.421 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.014 -1.885 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.759 -1.844 -9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.319 0.095 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.890 0.260 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.679 1.666 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.315 0.483 -10.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.700 0.323 -9.285 1.00 0.00 H new ATOM 294 N CYS A 19 -3.576 -3.938 -4.111 1.00 0.00 N ATOM 295 CA CYS A 19 -4.265 -3.558 -2.893 1.00 0.00 C ATOM 296 C CYS A 19 -3.784 -2.206 -2.394 1.00 0.00 C ATOM 297 O CYS A 19 -2.726 -1.717 -2.792 1.00 0.00 O ATOM 298 CB CYS A 19 -4.063 -4.624 -1.811 1.00 0.00 C ATOM 299 SG CYS A 19 -5.059 -4.366 -0.305 1.00 0.00 S ATOM 0 H CYS A 19 -2.559 -3.894 -4.053 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.329 -3.480 -3.117 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.306 -5.600 -2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.009 -4.649 -1.535 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.817 -5.320 0.544 1.00 0.00 H new ATOM 304 N TYR A 20 -4.571 -1.623 -1.508 1.00 0.00 N ATOM 305 CA TYR A 20 -4.261 -0.338 -0.915 1.00 0.00 C ATOM 306 C TYR A 20 -4.264 -0.485 0.589 1.00 0.00 C ATOM 307 O TYR A 20 -4.921 -1.363 1.141 1.00 0.00 O ATOM 308 CB TYR A 20 -5.278 0.732 -1.337 1.00 0.00 C ATOM 309 CG TYR A 20 -4.955 1.418 -2.650 1.00 0.00 C ATOM 310 CD1 TYR A 20 -4.320 0.739 -3.683 1.00 0.00 C ATOM 311 CD2 TYR A 20 -5.291 2.751 -2.853 1.00 0.00 C ATOM 312 CE1 TYR A 20 -4.029 1.368 -4.879 1.00 0.00 C ATOM 313 CE2 TYR A 20 -5.002 3.387 -4.046 1.00 0.00 C ATOM 314 CZ TYR A 20 -4.371 2.691 -5.054 1.00 0.00 C ATOM 315 OH TYR A 20 -4.082 3.321 -6.243 1.00 0.00 O ATOM 0 H TYR A 20 -5.446 -2.030 -1.179 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.279 -0.017 -1.263 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.262 0.270 -1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.341 1.486 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.049 -0.298 -3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.786 3.299 -2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.536 0.825 -5.672 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.269 4.424 -4.187 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.901 3.410 -6.773 1.00 0.00 H new ATOM 325 N TYR A 21 -3.516 0.371 1.236 1.00 0.00 N ATOM 326 CA TYR A 21 -3.403 0.354 2.679 1.00 0.00 C ATOM 327 C TYR A 21 -3.972 1.624 3.256 1.00 0.00 C ATOM 328 O TYR A 21 -3.475 2.695 2.974 1.00 0.00 O ATOM 329 CB TYR A 21 -1.937 0.244 3.101 1.00 0.00 C ATOM 330 CG TYR A 21 -1.404 -1.165 3.138 1.00 0.00 C ATOM 331 CD1 TYR A 21 -1.543 -1.941 4.277 1.00 0.00 C ATOM 332 CD2 TYR A 21 -0.752 -1.712 2.042 1.00 0.00 C ATOM 333 CE1 TYR A 21 -1.048 -3.226 4.327 1.00 0.00 C ATOM 334 CE2 TYR A 21 -0.254 -2.999 2.079 1.00 0.00 C ATOM 335 CZ TYR A 21 -0.405 -3.754 3.225 1.00 0.00 C ATOM 336 OH TYR A 21 0.091 -5.038 3.271 1.00 0.00 O ATOM 0 H TYR A 21 -2.967 1.101 0.782 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.957 -0.508 3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.329 0.832 2.414 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.822 0.689 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -2.048 -1.532 5.140 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.632 -1.121 1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.162 -3.817 5.224 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.250 -3.412 1.218 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.532 -5.646 2.821 1.00 0.00 H new ATOM 346 N PHE A 22 -4.994 1.506 4.076 1.00 0.00 N ATOM 347 CA PHE A 22 -5.586 2.668 4.706 1.00 0.00 C ATOM 348 C PHE A 22 -5.636 2.424 6.206 1.00 0.00 C ATOM 349 O PHE A 22 -6.690 2.525 6.834 1.00 0.00 O ATOM 350 CB PHE A 22 -6.996 2.933 4.164 1.00 0.00 C ATOM 351 CG PHE A 22 -7.068 3.193 2.679 1.00 0.00 C ATOM 352 CD1 PHE A 22 -6.016 3.792 2.008 1.00 0.00 C ATOM 353 CD2 PHE A 22 -8.199 2.842 1.956 1.00 0.00 C ATOM 354 CE1 PHE A 22 -6.086 4.034 0.648 1.00 0.00 C ATOM 355 CE2 PHE A 22 -8.275 3.081 0.595 1.00 0.00 C ATOM 356 CZ PHE A 22 -7.216 3.679 -0.060 1.00 0.00 C ATOM 0 H PHE A 22 -5.432 0.619 4.322 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.981 3.547 4.485 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -7.627 2.076 4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -7.416 3.791 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -5.128 4.074 2.554 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -9.031 2.376 2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.255 4.501 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -9.161 2.800 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.272 3.868 -1.122 1.00 0.00 H new ATOM 366 N GLY A 23 -4.482 2.073 6.769 1.00 0.00 N ATOM 367 CA GLY A 23 -4.404 1.779 8.182 1.00 0.00 C ATOM 368 C GLY A 23 -4.111 3.009 9.022 1.00 0.00 C ATOM 369 O GLY A 23 -3.988 4.113 8.490 1.00 0.00 O ATOM 0 H GLY A 23 -3.599 1.988 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.345 1.337 8.509 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.626 1.035 8.351 1.00 0.00 H new ATOM 373 N LYS A 24 -4.002 2.820 10.334 1.00 0.00 N ATOM 374 CA LYS A 24 -3.725 3.926 11.244 1.00 0.00 C ATOM 375 C LYS A 24 -2.542 3.606 12.153 1.00 0.00 C ATOM 376 O LYS A 24 -2.427 2.495 12.671 1.00 0.00 O ATOM 377 CB LYS A 24 -4.961 4.243 12.087 1.00 0.00 C ATOM 378 CG LYS A 24 -5.596 3.015 12.720 1.00 0.00 C ATOM 379 CD LYS A 24 -6.944 3.344 13.341 1.00 0.00 C ATOM 380 CE LYS A 24 -7.225 2.474 14.556 1.00 0.00 C ATOM 381 NZ LYS A 24 -8.623 2.634 15.043 1.00 0.00 N ATOM 0 H LYS A 24 -4.101 1.913 10.790 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.469 4.799 10.644 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.684 4.945 12.873 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.700 4.742 11.460 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.721 2.239 11.965 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.931 2.612 13.484 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.965 4.394 13.632 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.731 3.202 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.046 1.429 14.303 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.530 2.732 15.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.774 2.024 15.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.787 3.626 15.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.286 2.364 14.289 1.00 0.00 H new ATOM 436 N GLN A 28 3.553 11.446 10.595 1.00 0.00 N ATOM 437 CA GLN A 28 4.242 12.241 9.583 1.00 0.00 C ATOM 438 C GLN A 28 4.214 11.548 8.225 1.00 0.00 C ATOM 439 O GLN A 28 3.899 10.361 8.127 1.00 0.00 O ATOM 440 CB GLN A 28 5.692 12.501 9.999 1.00 0.00 C ATOM 441 CG GLN A 28 5.833 13.507 11.129 1.00 0.00 C ATOM 442 CD GLN A 28 6.970 13.169 12.073 1.00 0.00 C ATOM 443 OE1 GLN A 28 7.286 12.000 12.290 1.00 0.00 O ATOM 444 NE2 GLN A 28 7.593 14.197 12.640 1.00 0.00 N ATOM 0 HA GLN A 28 3.718 13.193 9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.147 11.559 10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.250 12.859 9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.998 14.499 10.709 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.900 13.550 11.691 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.297 15.151 12.431 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.367 14.032 13.284 1.00 0.00 H new ATOM 453 N TRP A 29 4.547 12.300 7.181 1.00 0.00 N ATOM 454 CA TRP A 29 4.565 11.768 5.824 1.00 0.00 C ATOM 455 C TRP A 29 5.656 10.719 5.664 1.00 0.00 C ATOM 456 O TRP A 29 5.412 9.627 5.150 1.00 0.00 O ATOM 457 CB TRP A 29 4.784 12.893 4.817 1.00 0.00 C ATOM 458 CG TRP A 29 4.753 12.419 3.400 1.00 0.00 C ATOM 459 CD1 TRP A 29 3.656 12.321 2.596 1.00 0.00 C ATOM 460 CD2 TRP A 29 5.866 11.970 2.620 1.00 0.00 C ATOM 461 NE1 TRP A 29 4.020 11.838 1.365 1.00 0.00 N ATOM 462 CE2 TRP A 29 5.369 11.617 1.354 1.00 0.00 C ATOM 463 CE3 TRP A 29 7.236 11.834 2.869 1.00 0.00 C ATOM 464 CZ2 TRP A 29 6.187 11.134 0.338 1.00 0.00 C ATOM 465 CZ3 TRP A 29 8.050 11.356 1.858 1.00 0.00 C ATOM 466 CH2 TRP A 29 7.523 11.011 0.606 1.00 0.00 C ATOM 0 H TRP A 29 4.809 13.283 7.250 1.00 0.00 H new ATOM 0 HA TRP A 29 3.600 11.298 5.635 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.016 13.654 4.957 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.744 13.369 5.015 1.00 0.00 H new ATOM 0 HD1 TRP A 29 2.650 12.585 2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.386 11.671 0.584 1.00 0.00 H new ATOM 0 HE3 TRP A 29 7.650 12.097 3.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.782 10.866 -0.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 9.110 11.247 2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.185 10.641 -0.163 1.00 0.00 H new ATOM 477 N VAL A 30 6.859 11.061 6.106 1.00 0.00 N ATOM 478 CA VAL A 30 7.995 10.154 6.018 1.00 0.00 C ATOM 479 C VAL A 30 7.671 8.828 6.685 1.00 0.00 C ATOM 480 O VAL A 30 8.155 7.774 6.276 1.00 0.00 O ATOM 481 CB VAL A 30 9.247 10.759 6.676 1.00 0.00 C ATOM 482 CG1 VAL A 30 9.864 11.811 5.772 1.00 0.00 C ATOM 483 CG2 VAL A 30 8.900 11.352 8.032 1.00 0.00 C ATOM 0 H VAL A 30 7.073 11.963 6.530 1.00 0.00 H new ATOM 0 HA VAL A 30 8.200 9.990 4.960 1.00 0.00 H new ATOM 0 HB VAL A 30 9.979 9.965 6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.749 12.229 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.147 11.355 4.823 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.140 12.605 5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.797 11.776 8.484 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.152 12.135 7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.502 10.571 8.680 1.00 0.00 H new ATOM 493 N HIS A 31 6.838 8.891 7.715 1.00 0.00 N ATOM 494 CA HIS A 31 6.434 7.696 8.439 1.00 0.00 C ATOM 495 C HIS A 31 5.507 6.843 7.582 1.00 0.00 C ATOM 496 O HIS A 31 5.462 5.621 7.727 1.00 0.00 O ATOM 497 CB HIS A 31 5.741 8.075 9.749 1.00 0.00 C ATOM 498 CG HIS A 31 6.324 7.397 10.950 1.00 0.00 C ATOM 499 ND1 HIS A 31 6.232 6.038 11.165 1.00 0.00 N ATOM 500 CD2 HIS A 31 7.009 7.898 12.005 1.00 0.00 C ATOM 501 CE1 HIS A 31 6.835 5.732 12.300 1.00 0.00 C ATOM 502 NE2 HIS A 31 7.315 6.842 12.828 1.00 0.00 N ATOM 0 H HIS A 31 6.430 9.757 8.067 1.00 0.00 H new ATOM 0 HA HIS A 31 7.327 7.116 8.671 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.803 9.155 9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.683 7.823 9.677 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.267 8.934 12.169 1.00 0.00 H new ATOM 0 HE1 HIS A 31 6.920 4.742 12.723 1.00 0.00 H new ATOM 0 HE2 HIS A 31 7.830 6.905 13.706 1.00 0.00 H new ATOM 511 N ALA A 32 4.767 7.492 6.683 1.00 0.00 N ATOM 512 CA ALA A 32 3.849 6.782 5.806 1.00 0.00 C ATOM 513 C ALA A 32 4.610 5.971 4.766 1.00 0.00 C ATOM 514 O ALA A 32 4.348 4.784 4.584 1.00 0.00 O ATOM 515 CB ALA A 32 2.901 7.760 5.127 1.00 0.00 C ATOM 0 H ALA A 32 4.788 8.503 6.547 1.00 0.00 H new ATOM 0 HA ALA A 32 3.263 6.092 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.221 7.213 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.327 8.295 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.476 8.473 4.536 1.00 0.00 H new ATOM 521 N ARG A 33 5.569 6.613 4.101 1.00 0.00 N ATOM 522 CA ARG A 33 6.378 5.940 3.095 1.00 0.00 C ATOM 523 C ARG A 33 7.162 4.796 3.723 1.00 0.00 C ATOM 524 O ARG A 33 7.323 3.736 3.117 1.00 0.00 O ATOM 525 CB ARG A 33 7.330 6.926 2.409 1.00 0.00 C ATOM 526 CG ARG A 33 8.238 7.675 3.370 1.00 0.00 C ATOM 527 CD ARG A 33 9.655 7.780 2.829 1.00 0.00 C ATOM 528 NE ARG A 33 10.518 8.570 3.703 1.00 0.00 N ATOM 529 CZ ARG A 33 11.833 8.682 3.538 1.00 0.00 C ATOM 530 NH1 ARG A 33 12.434 8.056 2.535 1.00 0.00 N ATOM 531 NH2 ARG A 33 12.548 9.421 4.375 1.00 0.00 N ATOM 0 H ARG A 33 5.802 7.596 4.243 1.00 0.00 H new ATOM 0 HA ARG A 33 5.708 5.531 2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.945 6.383 1.692 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.743 7.648 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.839 8.674 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.252 7.164 4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.074 6.780 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.632 8.232 1.838 1.00 0.00 H new ATOM 0 HE ARG A 33 10.088 9.064 4.485 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.888 7.487 1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.443 8.143 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.090 9.905 5.147 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.556 9.506 4.247 1.00 0.00 H new ATOM 545 N TYR A 34 7.630 5.007 4.950 1.00 0.00 N ATOM 546 CA TYR A 34 8.374 3.980 5.662 1.00 0.00 C ATOM 547 C TYR A 34 7.469 2.786 5.923 1.00 0.00 C ATOM 548 O TYR A 34 7.906 1.635 5.875 1.00 0.00 O ATOM 549 CB TYR A 34 8.926 4.527 6.980 1.00 0.00 C ATOM 550 CG TYR A 34 10.435 4.487 7.067 1.00 0.00 C ATOM 551 CD1 TYR A 34 11.105 3.297 7.315 1.00 0.00 C ATOM 552 CD2 TYR A 34 11.189 5.643 6.902 1.00 0.00 C ATOM 553 CE1 TYR A 34 12.485 3.258 7.396 1.00 0.00 C ATOM 554 CE2 TYR A 34 12.568 5.612 6.980 1.00 0.00 C ATOM 555 CZ TYR A 34 13.211 4.417 7.227 1.00 0.00 C ATOM 556 OH TYR A 34 14.584 4.383 7.306 1.00 0.00 O ATOM 0 H TYR A 34 7.506 5.877 5.468 1.00 0.00 H new ATOM 0 HA TYR A 34 9.217 3.665 5.047 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.590 5.556 7.106 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.507 3.952 7.806 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.539 2.387 7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.689 6.581 6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.991 2.324 7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.140 6.519 6.848 1.00 0.00 H new ATOM 0 HH TYR A 34 14.942 5.284 7.163 1.00 0.00 H new ATOM 566 N ALA A 35 6.196 3.073 6.175 1.00 0.00 N ATOM 567 CA ALA A 35 5.213 2.028 6.415 1.00 0.00 C ATOM 568 C ALA A 35 5.006 1.222 5.142 1.00 0.00 C ATOM 569 O ALA A 35 4.840 0.003 5.183 1.00 0.00 O ATOM 570 CB ALA A 35 3.900 2.629 6.889 1.00 0.00 C ATOM 0 H ALA A 35 5.823 4.021 6.218 1.00 0.00 H new ATOM 0 HA ALA A 35 5.581 1.365 7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.177 1.832 7.063 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.065 3.178 7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.515 3.308 6.128 1.00 0.00 H new ATOM 576 N CYS A 36 5.038 1.919 4.009 1.00 0.00 N ATOM 577 CA CYS A 36 4.879 1.286 2.714 1.00 0.00 C ATOM 578 C CYS A 36 5.946 0.226 2.519 1.00 0.00 C ATOM 579 O CYS A 36 5.655 -0.911 2.151 1.00 0.00 O ATOM 580 CB CYS A 36 4.982 2.327 1.600 1.00 0.00 C ATOM 581 SG CYS A 36 4.063 3.864 1.924 1.00 0.00 S ATOM 0 H CYS A 36 5.174 2.929 3.968 1.00 0.00 H new ATOM 0 HA CYS A 36 3.895 0.818 2.674 1.00 0.00 H new ATOM 0 HB2 CYS A 36 6.033 2.572 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 36 4.616 1.887 0.673 1.00 0.00 H new ATOM 586 N ASP A 37 7.189 0.617 2.775 1.00 0.00 N ATOM 587 CA ASP A 37 8.319 -0.288 2.639 1.00 0.00 C ATOM 588 C ASP A 37 8.118 -1.532 3.499 1.00 0.00 C ATOM 589 O ASP A 37 8.508 -2.635 3.117 1.00 0.00 O ATOM 590 CB ASP A 37 9.617 0.417 3.034 1.00 0.00 C ATOM 591 CG ASP A 37 10.600 0.508 1.882 1.00 0.00 C ATOM 592 OD1 ASP A 37 10.433 1.404 1.029 1.00 0.00 O ATOM 593 OD2 ASP A 37 11.536 -0.317 1.834 1.00 0.00 O ATOM 0 H ASP A 37 7.438 1.558 3.079 1.00 0.00 H new ATOM 0 HA ASP A 37 8.387 -0.594 1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.388 1.421 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.081 -0.119 3.862 1.00 0.00 H new ATOM 598 N ASP A 38 7.499 -1.342 4.661 1.00 0.00 N ATOM 599 CA ASP A 38 7.237 -2.445 5.579 1.00 0.00 C ATOM 600 C ASP A 38 6.147 -3.360 5.026 1.00 0.00 C ATOM 601 O ASP A 38 6.080 -4.540 5.371 1.00 0.00 O ATOM 602 CB ASP A 38 6.822 -1.908 6.950 1.00 0.00 C ATOM 603 CG ASP A 38 7.596 -2.554 8.081 1.00 0.00 C ATOM 604 OD1 ASP A 38 8.783 -2.209 8.262 1.00 0.00 O ATOM 605 OD2 ASP A 38 7.016 -3.404 8.789 1.00 0.00 O ATOM 0 H ASP A 38 7.170 -0.434 4.989 1.00 0.00 H new ATOM 0 HA ASP A 38 8.154 -3.023 5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.977 -0.829 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.756 -2.081 7.098 1.00 0.00 H new ATOM 610 N MET A 39 5.302 -2.806 4.162 1.00 0.00 N ATOM 611 CA MET A 39 4.219 -3.566 3.552 1.00 0.00 C ATOM 612 C MET A 39 4.610 -4.010 2.149 1.00 0.00 C ATOM 613 O MET A 39 3.883 -4.756 1.493 1.00 0.00 O ATOM 614 CB MET A 39 2.942 -2.725 3.500 1.00 0.00 C ATOM 615 CG MET A 39 2.497 -2.209 4.859 1.00 0.00 C ATOM 616 SD MET A 39 2.061 -3.538 5.997 1.00 0.00 S ATOM 617 CE MET A 39 3.036 -3.089 7.431 1.00 0.00 C ATOM 0 H MET A 39 5.348 -1.830 3.869 1.00 0.00 H new ATOM 0 HA MET A 39 4.031 -4.450 4.161 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.102 -1.877 2.834 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.140 -3.324 3.068 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.296 -1.610 5.295 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.638 -1.550 4.730 1.00 0.00 H new ATOM 0 HE1 MET A 39 2.530 -3.428 8.335 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.017 -3.560 7.366 1.00 0.00 H new ATOM 0 HE3 MET A 39 3.155 -2.006 7.466 1.00 0.00 H new ATOM 627 N GLU A 40 5.772 -3.539 1.706 1.00 0.00 N ATOM 628 CA GLU A 40 6.299 -3.866 0.385 1.00 0.00 C ATOM 629 C GLU A 40 5.447 -3.250 -0.717 1.00 0.00 C ATOM 630 O GLU A 40 5.068 -3.924 -1.675 1.00 0.00 O ATOM 631 CB GLU A 40 6.375 -5.380 0.197 1.00 0.00 C ATOM 632 CG GLU A 40 7.590 -6.017 0.851 1.00 0.00 C ATOM 633 CD GLU A 40 7.711 -7.495 0.540 1.00 0.00 C ATOM 634 OE1 GLU A 40 6.766 -8.248 0.858 1.00 0.00 O ATOM 635 OE2 GLU A 40 8.751 -7.901 -0.021 1.00 0.00 O ATOM 0 H GLU A 40 6.374 -2.921 2.251 1.00 0.00 H new ATOM 0 HA GLU A 40 7.303 -3.448 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.473 -5.834 0.607 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.388 -5.605 -0.870 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.491 -5.504 0.514 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.530 -5.880 1.931 1.00 0.00 H new ATOM 642 N GLY A 41 5.150 -1.965 -0.573 1.00 0.00 N ATOM 643 CA GLY A 41 4.348 -1.277 -1.563 1.00 0.00 C ATOM 644 C GLY A 41 4.925 0.061 -1.971 1.00 0.00 C ATOM 645 O GLY A 41 6.080 0.150 -2.389 1.00 0.00 O ATOM 0 H GLY A 41 5.451 -1.388 0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.252 -1.909 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.344 -1.127 -1.167 1.00 0.00 H new ATOM 649 N GLN A 42 4.107 1.097 -1.869 1.00 0.00 N ATOM 650 CA GLN A 42 4.510 2.445 -2.248 1.00 0.00 C ATOM 651 C GLN A 42 3.580 3.439 -1.597 1.00 0.00 C ATOM 652 O GLN A 42 2.472 3.079 -1.213 1.00 0.00 O ATOM 653 CB GLN A 42 4.443 2.617 -3.765 1.00 0.00 C ATOM 654 CG GLN A 42 4.676 4.048 -4.231 1.00 0.00 C ATOM 655 CD GLN A 42 4.429 4.224 -5.716 1.00 0.00 C ATOM 656 OE1 GLN A 42 5.127 3.645 -6.548 1.00 0.00 O ATOM 657 NE2 GLN A 42 3.431 5.031 -6.055 1.00 0.00 N ATOM 0 H GLN A 42 3.150 1.030 -1.523 1.00 0.00 H new ATOM 0 HA GLN A 42 5.535 2.613 -1.918 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.186 1.968 -4.228 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.466 2.285 -4.116 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.021 4.719 -3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.701 4.339 -4.000 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.878 5.490 -5.331 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.217 5.192 -7.039 1.00 0.00 H new ATOM 666 N LEU A 43 3.985 4.691 -1.481 1.00 0.00 N ATOM 667 CA LEU A 43 3.088 5.643 -0.891 1.00 0.00 C ATOM 668 C LEU A 43 2.041 5.968 -1.944 1.00 0.00 C ATOM 669 O LEU A 43 2.340 6.551 -2.986 1.00 0.00 O ATOM 670 CB LEU A 43 3.859 6.900 -0.465 1.00 0.00 C ATOM 671 CG LEU A 43 3.292 7.698 0.719 1.00 0.00 C ATOM 672 CD1 LEU A 43 2.580 6.803 1.712 1.00 0.00 C ATOM 673 CD2 LEU A 43 4.406 8.463 1.413 1.00 0.00 C ATOM 0 H LEU A 43 4.892 5.053 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 43 2.613 5.243 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.878 6.604 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.921 7.567 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 43 2.559 8.401 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.194 7.406 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.754 6.294 1.216 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.279 6.064 2.102 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.994 9.025 2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.155 7.762 1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.869 9.152 0.707 1.00 0.00 H new ATOM 685 N VAL A 44 0.822 5.532 -1.647 1.00 0.00 N ATOM 686 CA VAL A 44 -0.344 5.687 -2.517 1.00 0.00 C ATOM 687 C VAL A 44 -0.073 6.496 -3.775 1.00 0.00 C ATOM 688 O VAL A 44 0.046 5.942 -4.867 1.00 0.00 O ATOM 689 CB VAL A 44 -1.507 6.328 -1.756 1.00 0.00 C ATOM 690 CG1 VAL A 44 -2.665 5.350 -1.648 1.00 0.00 C ATOM 691 CG2 VAL A 44 -1.045 6.782 -0.383 1.00 0.00 C ATOM 0 H VAL A 44 0.609 5.049 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.602 4.676 -2.833 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.854 7.204 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.486 5.817 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.002 5.073 -2.647 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.339 4.457 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.880 7.237 0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.679 5.923 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.243 7.512 -0.492 1.00 0.00 H new ATOM 701 N SER A 45 -0.013 7.807 -3.613 1.00 0.00 N ATOM 702 CA SER A 45 0.206 8.710 -4.738 1.00 0.00 C ATOM 703 C SER A 45 -0.993 8.645 -5.676 1.00 0.00 C ATOM 704 O SER A 45 -0.857 8.398 -6.874 1.00 0.00 O ATOM 705 CB SER A 45 1.484 8.338 -5.490 1.00 0.00 C ATOM 706 OG SER A 45 1.720 9.229 -6.566 1.00 0.00 O ATOM 0 H SER A 45 -0.113 8.274 -2.712 1.00 0.00 H new ATOM 0 HA SER A 45 0.319 9.726 -4.360 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.332 8.358 -4.805 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.403 7.319 -5.868 1.00 0.00 H new ATOM 0 HG SER A 45 2.504 9.782 -6.367 1.00 0.00 H new ATOM 712 N ILE A 46 -2.171 8.850 -5.098 1.00 0.00 N ATOM 713 CA ILE A 46 -3.427 8.802 -5.840 1.00 0.00 C ATOM 714 C ILE A 46 -3.365 9.646 -7.106 1.00 0.00 C ATOM 715 O ILE A 46 -2.772 10.725 -7.122 1.00 0.00 O ATOM 716 CB ILE A 46 -4.626 9.270 -4.984 1.00 0.00 C ATOM 717 CG1 ILE A 46 -4.159 9.844 -3.638 1.00 0.00 C ATOM 718 CG2 ILE A 46 -5.603 8.122 -4.772 1.00 0.00 C ATOM 719 CD1 ILE A 46 -3.822 8.794 -2.598 1.00 0.00 C ATOM 0 H ILE A 46 -2.283 9.054 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.574 7.757 -6.111 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.137 10.068 -5.523 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.281 10.467 -3.807 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.940 10.494 -3.242 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.442 8.466 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.970 7.773 -5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.097 7.304 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.501 9.283 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.703 8.185 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.019 8.158 -2.970 1.00 0.00 H new ATOM 731 N HIS A 47 -3.986 9.143 -8.169 1.00 0.00 N ATOM 732 CA HIS A 47 -4.010 9.840 -9.448 1.00 0.00 C ATOM 733 C HIS A 47 -5.428 9.892 -10.010 1.00 0.00 C ATOM 734 O HIS A 47 -5.668 10.495 -11.056 1.00 0.00 O ATOM 735 CB HIS A 47 -3.079 9.152 -10.446 1.00 0.00 C ATOM 736 CG HIS A 47 -3.147 7.657 -10.398 1.00 0.00 C ATOM 737 ND1 HIS A 47 -2.356 6.894 -9.566 1.00 0.00 N ATOM 738 CD2 HIS A 47 -3.919 6.782 -11.086 1.00 0.00 C ATOM 739 CE1 HIS A 47 -2.637 5.616 -9.743 1.00 0.00 C ATOM 740 NE2 HIS A 47 -3.583 5.521 -10.659 1.00 0.00 N ATOM 0 H HIS A 47 -4.481 8.251 -8.168 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.664 10.861 -9.285 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.329 9.486 -11.453 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.054 9.467 -10.250 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.660 7.030 -11.831 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -2.172 4.789 -9.226 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -3.997 4.652 -10.995 1.00 0.00 H new ATOM 749 N SER A 48 -6.364 9.261 -9.306 1.00 0.00 N ATOM 750 CA SER A 48 -7.754 9.239 -9.732 1.00 0.00 C ATOM 751 C SER A 48 -8.635 9.909 -8.689 1.00 0.00 C ATOM 752 O SER A 48 -8.661 9.489 -7.533 1.00 0.00 O ATOM 753 CB SER A 48 -8.219 7.802 -9.965 1.00 0.00 C ATOM 754 OG SER A 48 -9.025 7.708 -11.127 1.00 0.00 O ATOM 0 H SER A 48 -6.181 8.759 -8.437 1.00 0.00 H new ATOM 0 HA SER A 48 -7.836 9.789 -10.670 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.353 7.148 -10.066 1.00 0.00 H new ATOM 0 HB3 SER A 48 -8.782 7.454 -9.099 1.00 0.00 H new ATOM 0 HG SER A 48 -9.308 6.778 -11.255 1.00 0.00 H new ATOM 760 N PRO A 49 -9.373 10.963 -9.080 1.00 0.00 N ATOM 761 CA PRO A 49 -10.258 11.679 -8.164 1.00 0.00 C ATOM 762 C PRO A 49 -11.097 10.718 -7.333 1.00 0.00 C ATOM 763 O PRO A 49 -11.463 11.015 -6.196 1.00 0.00 O ATOM 764 CB PRO A 49 -11.139 12.503 -9.102 1.00 0.00 C ATOM 765 CG PRO A 49 -10.276 12.755 -10.291 1.00 0.00 C ATOM 766 CD PRO A 49 -9.407 11.535 -10.441 1.00 0.00 C ATOM 0 HA PRO A 49 -9.714 12.285 -7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.045 11.961 -9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.454 13.436 -8.634 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.880 12.916 -11.184 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -9.670 13.650 -10.150 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.825 10.831 -11.161 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -8.408 11.795 -10.792 1.00 0.00 H new ATOM 774 N GLU A 50 -11.383 9.553 -7.909 1.00 0.00 N ATOM 775 CA GLU A 50 -12.161 8.534 -7.226 1.00 0.00 C ATOM 776 C GLU A 50 -11.338 7.867 -6.138 1.00 0.00 C ATOM 777 O GLU A 50 -11.811 7.676 -5.020 1.00 0.00 O ATOM 778 CB GLU A 50 -12.649 7.474 -8.209 1.00 0.00 C ATOM 779 CG GLU A 50 -13.357 6.312 -7.538 1.00 0.00 C ATOM 780 CD GLU A 50 -13.414 5.077 -8.416 1.00 0.00 C ATOM 781 OE1 GLU A 50 -14.110 5.118 -9.451 1.00 0.00 O ATOM 782 OE2 GLU A 50 -12.763 4.070 -8.067 1.00 0.00 O ATOM 0 H GLU A 50 -11.085 9.295 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.022 9.026 -6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.327 7.938 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.798 7.094 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.845 6.068 -6.607 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.371 6.613 -7.274 1.00 0.00 H new ATOM 789 N GLU A 51 -10.109 7.502 -6.478 1.00 0.00 N ATOM 790 CA GLU A 51 -9.225 6.845 -5.536 1.00 0.00 C ATOM 791 C GLU A 51 -8.922 7.760 -4.357 1.00 0.00 C ATOM 792 O GLU A 51 -8.999 7.343 -3.202 1.00 0.00 O ATOM 793 CB GLU A 51 -7.932 6.415 -6.228 1.00 0.00 C ATOM 794 CG GLU A 51 -8.117 5.267 -7.207 1.00 0.00 C ATOM 795 CD GLU A 51 -6.818 4.844 -7.862 1.00 0.00 C ATOM 796 OE1 GLU A 51 -6.132 5.715 -8.437 1.00 0.00 O ATOM 797 OE2 GLU A 51 -6.486 3.642 -7.802 1.00 0.00 O ATOM 0 H GLU A 51 -9.705 7.652 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.726 5.954 -5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.512 7.270 -6.759 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.205 6.122 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.550 4.415 -6.684 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.829 5.563 -7.978 1.00 0.00 H new ATOM 804 N GLN A 52 -8.588 9.013 -4.654 1.00 0.00 N ATOM 805 CA GLN A 52 -8.288 9.983 -3.612 1.00 0.00 C ATOM 806 C GLN A 52 -9.502 10.176 -2.715 1.00 0.00 C ATOM 807 O GLN A 52 -9.377 10.256 -1.497 1.00 0.00 O ATOM 808 CB GLN A 52 -7.842 11.321 -4.223 1.00 0.00 C ATOM 809 CG GLN A 52 -8.991 12.238 -4.623 1.00 0.00 C ATOM 810 CD GLN A 52 -9.269 13.332 -3.604 1.00 0.00 C ATOM 811 OE1 GLN A 52 -9.891 14.345 -3.925 1.00 0.00 O ATOM 812 NE2 GLN A 52 -8.810 13.140 -2.370 1.00 0.00 N ATOM 0 H GLN A 52 -8.519 9.377 -5.604 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.465 9.602 -3.008 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.209 11.842 -3.505 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.229 11.120 -5.102 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.763 12.697 -5.585 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.893 11.641 -4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -8.299 12.287 -2.143 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.969 13.846 -1.651 1.00 0.00 H new ATOM 821 N ASP A 53 -10.678 10.219 -3.333 1.00 0.00 N ATOM 822 CA ASP A 53 -11.930 10.370 -2.611 1.00 0.00 C ATOM 823 C ASP A 53 -12.219 9.105 -1.818 1.00 0.00 C ATOM 824 O ASP A 53 -12.787 9.153 -0.729 1.00 0.00 O ATOM 825 CB ASP A 53 -13.076 10.656 -3.582 1.00 0.00 C ATOM 826 CG ASP A 53 -14.325 11.142 -2.875 1.00 0.00 C ATOM 827 OD1 ASP A 53 -14.231 12.128 -2.114 1.00 0.00 O ATOM 828 OD2 ASP A 53 -15.399 10.537 -3.083 1.00 0.00 O ATOM 0 H ASP A 53 -10.787 10.150 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 53 -11.842 11.212 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.757 11.406 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.308 9.750 -4.142 1.00 0.00 H new ATOM 833 N PHE A 54 -11.834 7.973 -2.395 1.00 0.00 N ATOM 834 CA PHE A 54 -12.048 6.676 -1.781 1.00 0.00 C ATOM 835 C PHE A 54 -11.351 6.591 -0.431 1.00 0.00 C ATOM 836 O PHE A 54 -11.967 6.247 0.578 1.00 0.00 O ATOM 837 CB PHE A 54 -11.495 5.599 -2.710 1.00 0.00 C ATOM 838 CG PHE A 54 -12.524 4.629 -3.201 1.00 0.00 C ATOM 839 CD1 PHE A 54 -12.878 3.533 -2.438 1.00 0.00 C ATOM 840 CD2 PHE A 54 -13.129 4.815 -4.430 1.00 0.00 C ATOM 841 CE1 PHE A 54 -13.823 2.634 -2.893 1.00 0.00 C ATOM 842 CE2 PHE A 54 -14.074 3.923 -4.893 1.00 0.00 C ATOM 843 CZ PHE A 54 -14.423 2.828 -4.124 1.00 0.00 C ATOM 0 H PHE A 54 -11.366 7.932 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.116 6.530 -1.621 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.026 6.080 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.713 5.049 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.411 3.378 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.859 5.668 -5.034 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -14.093 1.781 -2.288 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.540 4.080 -5.854 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.162 2.127 -4.483 1.00 0.00 H new ATOM 853 N LEU A 55 -10.072 6.931 -0.417 1.00 0.00 N ATOM 854 CA LEU A 55 -9.295 6.921 0.812 1.00 0.00 C ATOM 855 C LEU A 55 -9.688 8.101 1.682 1.00 0.00 C ATOM 856 O LEU A 55 -9.724 8.005 2.908 1.00 0.00 O ATOM 857 CB LEU A 55 -7.804 6.980 0.507 1.00 0.00 C ATOM 858 CG LEU A 55 -7.432 7.847 -0.687 1.00 0.00 C ATOM 859 CD1 LEU A 55 -6.822 9.157 -0.219 1.00 0.00 C ATOM 860 CD2 LEU A 55 -6.479 7.098 -1.599 1.00 0.00 C ATOM 0 H LEU A 55 -9.549 7.218 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.504 5.993 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.282 7.355 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.443 5.967 0.329 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.335 8.078 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.561 9.766 -1.084 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.542 9.693 0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.924 8.952 0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.219 7.728 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.574 6.842 -1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.958 6.186 -1.955 1.00 0.00 H new ATOM 872 N THR A 56 -9.983 9.217 1.025 1.00 0.00 N ATOM 873 CA THR A 56 -10.379 10.430 1.713 1.00 0.00 C ATOM 874 C THR A 56 -11.645 10.170 2.517 1.00 0.00 C ATOM 875 O THR A 56 -11.789 10.643 3.645 1.00 0.00 O ATOM 876 CB THR A 56 -10.590 11.564 0.699 1.00 0.00 C ATOM 877 OG1 THR A 56 -9.505 12.469 0.723 1.00 0.00 O ATOM 878 CG2 THR A 56 -11.851 12.362 0.918 1.00 0.00 C ATOM 0 H THR A 56 -9.954 9.302 0.009 1.00 0.00 H new ATOM 0 HA THR A 56 -9.590 10.735 2.401 1.00 0.00 H new ATOM 0 HB THR A 56 -10.671 11.059 -0.264 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.728 13.261 0.191 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.924 13.142 0.160 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.716 11.703 0.845 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.825 12.819 1.907 1.00 0.00 H new ATOM 886 N LYS A 57 -12.544 9.387 1.935 1.00 0.00 N ATOM 887 CA LYS A 57 -13.782 9.025 2.597 1.00 0.00 C ATOM 888 C LYS A 57 -13.486 8.011 3.689 1.00 0.00 C ATOM 889 O LYS A 57 -14.110 8.016 4.750 1.00 0.00 O ATOM 890 CB LYS A 57 -14.782 8.446 1.594 1.00 0.00 C ATOM 891 CG LYS A 57 -16.171 9.056 1.697 1.00 0.00 C ATOM 892 CD LYS A 57 -16.519 9.859 0.454 1.00 0.00 C ATOM 893 CE LYS A 57 -16.188 11.332 0.630 1.00 0.00 C ATOM 894 NZ LYS A 57 -17.232 12.212 0.037 1.00 0.00 N ATOM 0 H LYS A 57 -12.434 8.991 1.001 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.225 9.918 3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.401 8.599 0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.855 7.369 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.908 8.265 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -16.223 9.701 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -15.972 9.462 -0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -17.581 9.748 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.085 11.556 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.226 11.546 0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.968 13.208 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.313 12.017 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -18.145 12.027 0.499 1.00 0.00 H new ATOM 907 N HIS A 58 -12.509 7.147 3.419 1.00 0.00 N ATOM 908 CA HIS A 58 -12.102 6.128 4.375 1.00 0.00 C ATOM 909 C HIS A 58 -11.506 6.777 5.620 1.00 0.00 C ATOM 910 O HIS A 58 -11.619 6.242 6.724 1.00 0.00 O ATOM 911 CB HIS A 58 -11.083 5.179 3.741 1.00 0.00 C ATOM 912 CG HIS A 58 -11.375 3.733 3.997 1.00 0.00 C ATOM 913 ND1 HIS A 58 -12.480 3.085 3.485 1.00 0.00 N ATOM 914 CD2 HIS A 58 -10.698 2.806 4.716 1.00 0.00 C ATOM 915 CE1 HIS A 58 -12.470 1.823 3.878 1.00 0.00 C ATOM 916 NE2 HIS A 58 -11.399 1.629 4.626 1.00 0.00 N ATOM 0 H HIS A 58 -11.986 7.135 2.543 1.00 0.00 H new ATOM 0 HA HIS A 58 -12.983 5.555 4.664 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -11.058 5.352 2.665 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -10.091 5.415 4.125 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -13.194 3.513 2.895 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -9.778 2.963 5.259 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -13.211 1.078 3.630 1.00 0.00 H new ATOM 978 N GLY A 63 -7.042 12.104 8.561 1.00 0.00 N ATOM 979 CA GLY A 63 -6.924 12.005 7.119 1.00 0.00 C ATOM 980 C GLY A 63 -6.021 10.869 6.685 1.00 0.00 C ATOM 981 O GLY A 63 -5.833 9.900 7.420 1.00 0.00 O ATOM 0 HA2 GLY A 63 -7.914 11.863 6.686 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.536 12.944 6.725 1.00 0.00 H new ATOM 985 N SER A 64 -5.462 10.991 5.486 1.00 0.00 N ATOM 986 CA SER A 64 -4.575 9.968 4.947 1.00 0.00 C ATOM 987 C SER A 64 -3.331 10.599 4.328 1.00 0.00 C ATOM 988 O SER A 64 -3.318 11.789 4.014 1.00 0.00 O ATOM 989 CB SER A 64 -5.309 9.131 3.897 1.00 0.00 C ATOM 990 OG SER A 64 -5.555 7.820 4.369 1.00 0.00 O ATOM 0 H SER A 64 -5.608 11.790 4.868 1.00 0.00 H new ATOM 0 HA SER A 64 -4.264 9.322 5.768 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.253 9.611 3.640 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.716 9.086 2.984 1.00 0.00 H new ATOM 0 HG SER A 64 -6.026 7.307 3.680 1.00 0.00 H new ATOM 996 N TRP A 65 -2.293 9.790 4.146 1.00 0.00 N ATOM 997 CA TRP A 65 -1.047 10.262 3.553 1.00 0.00 C ATOM 998 C TRP A 65 -0.900 9.696 2.149 1.00 0.00 C ATOM 999 O TRP A 65 -1.091 8.503 1.931 1.00 0.00 O ATOM 1000 CB TRP A 65 0.146 9.840 4.415 1.00 0.00 C ATOM 1001 CG TRP A 65 0.532 10.854 5.450 1.00 0.00 C ATOM 1002 CD1 TRP A 65 1.057 12.096 5.229 1.00 0.00 C ATOM 1003 CD2 TRP A 65 0.430 10.708 6.869 1.00 0.00 C ATOM 1004 NE1 TRP A 65 1.286 12.729 6.429 1.00 0.00 N ATOM 1005 CE2 TRP A 65 0.907 11.898 7.448 1.00 0.00 C ATOM 1006 CE3 TRP A 65 -0.021 9.687 7.708 1.00 0.00 C ATOM 1007 CZ2 TRP A 65 0.947 12.093 8.826 1.00 0.00 C ATOM 1008 CZ3 TRP A 65 0.018 9.881 9.075 1.00 0.00 C ATOM 1009 CH2 TRP A 65 0.499 11.076 9.622 1.00 0.00 C ATOM 0 H TRP A 65 -2.290 8.802 4.401 1.00 0.00 H new ATOM 0 HA TRP A 65 -1.071 11.350 3.501 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -0.091 8.899 4.912 1.00 0.00 H new ATOM 0 HB3 TRP A 65 1.002 9.651 3.767 1.00 0.00 H new ATOM 0 HD1 TRP A 65 1.262 12.518 4.256 1.00 0.00 H new ATOM 0 HE1 TRP A 65 1.675 13.665 6.541 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -0.394 8.761 7.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 1.318 13.014 9.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.328 9.097 9.733 1.00 0.00 H new ATOM 0 HH2 TRP A 65 0.517 11.197 10.695 1.00 0.00 H new ATOM 1020 N ILE A 66 -0.570 10.556 1.195 1.00 0.00 N ATOM 1021 CA ILE A 66 -0.417 10.127 -0.187 1.00 0.00 C ATOM 1022 C ILE A 66 1.039 10.173 -0.631 1.00 0.00 C ATOM 1023 O ILE A 66 1.886 10.749 0.045 1.00 0.00 O ATOM 1024 CB ILE A 66 -1.272 10.983 -1.140 1.00 0.00 C ATOM 1025 CG1 ILE A 66 -0.542 12.283 -1.487 1.00 0.00 C ATOM 1026 CG2 ILE A 66 -2.630 11.264 -0.508 1.00 0.00 C ATOM 1027 CD1 ILE A 66 -1.430 13.343 -2.089 1.00 0.00 C ATOM 0 H ILE A 66 -0.404 11.550 1.352 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.764 9.095 -0.233 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.434 10.434 -2.067 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.080 12.681 -0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.265 12.060 -2.185 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.229 11.870 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.143 10.322 -0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.491 11.801 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.839 14.232 -2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.872 12.966 -3.011 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.222 13.597 -1.385 1.00 0.00 H new ATOM 1039 N GLY A 67 1.313 9.549 -1.771 1.00 0.00 N ATOM 1040 CA GLY A 67 2.661 9.514 -2.303 1.00 0.00 C ATOM 1041 C GLY A 67 3.080 10.830 -2.927 1.00 0.00 C ATOM 1042 O GLY A 67 3.592 10.855 -4.045 1.00 0.00 O ATOM 0 H GLY A 67 0.619 9.063 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.356 9.259 -1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.731 8.724 -3.051 1.00 0.00 H new ATOM 1046 N LEU A 68 2.867 11.924 -2.204 1.00 0.00 N ATOM 1047 CA LEU A 68 3.231 13.244 -2.691 1.00 0.00 C ATOM 1048 C LEU A 68 4.110 13.985 -1.692 1.00 0.00 C ATOM 1049 O LEU A 68 3.762 14.128 -0.520 1.00 0.00 O ATOM 1050 CB LEU A 68 1.983 14.078 -2.983 1.00 0.00 C ATOM 1051 CG LEU A 68 2.001 14.821 -4.312 1.00 0.00 C ATOM 1052 CD1 LEU A 68 0.885 15.845 -4.353 1.00 0.00 C ATOM 1053 CD2 LEU A 68 3.351 15.481 -4.524 1.00 0.00 C ATOM 0 H LEU A 68 2.443 11.920 -1.276 1.00 0.00 H new ATOM 0 HA LEU A 68 3.795 13.102 -3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.113 13.422 -2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.853 14.804 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 68 1.839 14.108 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.908 16.370 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.075 15.342 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.018 16.561 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.352 16.009 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.541 16.189 -3.717 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.131 14.720 -4.530 1.00 0.00 H new ATOM 1065 N ARG A 69 5.239 14.477 -2.180 1.00 0.00 N ATOM 1066 CA ARG A 69 6.172 15.236 -1.363 1.00 0.00 C ATOM 1067 C ARG A 69 6.686 16.437 -2.152 1.00 0.00 C ATOM 1068 O ARG A 69 7.268 16.277 -3.224 1.00 0.00 O ATOM 1069 CB ARG A 69 7.339 14.351 -0.921 1.00 0.00 C ATOM 1070 CG ARG A 69 8.457 15.112 -0.227 1.00 0.00 C ATOM 1071 CD ARG A 69 9.826 14.608 -0.656 1.00 0.00 C ATOM 1072 NE ARG A 69 10.801 14.684 0.429 1.00 0.00 N ATOM 1073 CZ ARG A 69 11.516 15.772 0.702 1.00 0.00 C ATOM 1074 NH1 ARG A 69 11.368 16.869 -0.029 1.00 0.00 N ATOM 1075 NH2 ARG A 69 12.382 15.763 1.707 1.00 0.00 N ATOM 0 H ARG A 69 5.533 14.362 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 69 5.655 15.590 -0.471 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.964 13.581 -0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.747 13.841 -1.794 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.372 16.174 -0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.352 15.009 0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 69 9.742 13.576 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.180 15.196 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 69 10.941 13.857 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.704 16.880 -0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.918 17.701 0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.500 14.921 2.271 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.930 16.598 1.916 1.00 0.00 H new ATOM 1089 N ASN A 70 6.473 17.637 -1.624 1.00 0.00 N ATOM 1090 CA ASN A 70 6.924 18.846 -2.299 1.00 0.00 C ATOM 1091 C ASN A 70 8.440 18.969 -2.216 1.00 0.00 C ATOM 1092 O ASN A 70 9.075 18.359 -1.357 1.00 0.00 O ATOM 1093 CB ASN A 70 6.254 20.080 -1.693 1.00 0.00 C ATOM 1094 CG ASN A 70 4.860 20.305 -2.243 1.00 0.00 C ATOM 1095 OD1 ASN A 70 3.962 19.489 -2.039 1.00 0.00 O ATOM 1096 ND2 ASN A 70 4.672 21.417 -2.943 1.00 0.00 N ATOM 0 H ASN A 70 5.995 17.797 -0.738 1.00 0.00 H new ATOM 0 HA ASN A 70 6.640 18.780 -3.349 1.00 0.00 H new ATOM 0 HB2 ASN A 70 6.201 19.967 -0.610 1.00 0.00 H new ATOM 0 HB3 ASN A 70 6.867 20.959 -1.893 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.754 21.623 -3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.446 22.066 -3.087 1.00 0.00 H new ATOM 1196 N PHE A 77 5.308 19.921 -6.505 1.00 0.00 N ATOM 1197 CA PHE A 77 4.938 18.636 -5.941 1.00 0.00 C ATOM 1198 C PHE A 77 5.492 17.495 -6.771 1.00 0.00 C ATOM 1199 O PHE A 77 5.411 17.496 -7.999 1.00 0.00 O ATOM 1200 CB PHE A 77 3.419 18.490 -5.839 1.00 0.00 C ATOM 1201 CG PHE A 77 2.688 19.773 -5.610 1.00 0.00 C ATOM 1202 CD1 PHE A 77 2.628 20.737 -6.599 1.00 0.00 C ATOM 1203 CD2 PHE A 77 2.058 20.008 -4.405 1.00 0.00 C ATOM 1204 CE1 PHE A 77 1.952 21.923 -6.391 1.00 0.00 C ATOM 1205 CE2 PHE A 77 1.380 21.193 -4.188 1.00 0.00 C ATOM 1206 CZ PHE A 77 1.328 22.152 -5.182 1.00 0.00 C ATOM 0 HA PHE A 77 5.367 18.593 -4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.048 18.034 -6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.186 17.803 -5.025 1.00 0.00 H new ATOM 0 HD1 PHE A 77 3.116 20.560 -7.546 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.095 19.261 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.912 22.668 -7.172 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.891 21.370 -3.241 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.800 23.079 -5.013 1.00 0.00 H new ATOM 1216 N ILE A 78 6.050 16.524 -6.079 1.00 0.00 N ATOM 1217 CA ILE A 78 6.626 15.359 -6.706 1.00 0.00 C ATOM 1218 C ILE A 78 6.268 14.114 -5.912 1.00 0.00 C ATOM 1219 O ILE A 78 6.255 14.137 -4.685 1.00 0.00 O ATOM 1220 CB ILE A 78 8.146 15.522 -6.808 1.00 0.00 C ATOM 1221 CG1 ILE A 78 8.519 15.850 -8.254 1.00 0.00 C ATOM 1222 CG2 ILE A 78 8.877 14.284 -6.291 1.00 0.00 C ATOM 1223 CD1 ILE A 78 9.631 14.997 -8.833 1.00 0.00 C ATOM 0 H ILE A 78 6.116 16.523 -5.061 1.00 0.00 H new ATOM 0 HA ILE A 78 6.222 15.252 -7.713 1.00 0.00 H new ATOM 0 HB ILE A 78 8.463 16.348 -6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.632 15.738 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.817 16.897 -8.309 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.953 14.434 -6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.617 14.118 -5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.583 13.415 -6.880 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.826 15.302 -9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.536 15.126 -8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.332 13.949 -8.816 1.00 0.00 H new ATOM 1235 N TRP A 79 5.963 13.034 -6.611 1.00 0.00 N ATOM 1236 CA TRP A 79 5.585 11.796 -5.951 1.00 0.00 C ATOM 1237 C TRP A 79 6.795 11.100 -5.346 1.00 0.00 C ATOM 1238 O TRP A 79 7.910 11.214 -5.852 1.00 0.00 O ATOM 1239 CB TRP A 79 4.883 10.854 -6.933 1.00 0.00 C ATOM 1240 CG TRP A 79 3.607 11.408 -7.498 1.00 0.00 C ATOM 1241 CD1 TRP A 79 2.834 12.403 -6.971 1.00 0.00 C ATOM 1242 CD2 TRP A 79 2.956 10.990 -8.704 1.00 0.00 C ATOM 1243 NE1 TRP A 79 1.744 12.630 -7.778 1.00 0.00 N ATOM 1244 CE2 TRP A 79 1.796 11.775 -8.847 1.00 0.00 C ATOM 1245 CE3 TRP A 79 3.243 10.029 -9.679 1.00 0.00 C ATOM 1246 CZ2 TRP A 79 0.925 11.628 -9.923 1.00 0.00 C ATOM 1247 CZ3 TRP A 79 2.377 9.884 -10.745 1.00 0.00 C ATOM 1248 CH2 TRP A 79 1.230 10.679 -10.861 1.00 0.00 C ATOM 0 H TRP A 79 5.969 12.989 -7.630 1.00 0.00 H new ATOM 0 HA TRP A 79 4.896 12.051 -5.146 1.00 0.00 H new ATOM 0 HB2 TRP A 79 5.564 10.626 -7.753 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.667 9.913 -6.428 1.00 0.00 H new ATOM 0 HD1 TRP A 79 3.047 12.934 -6.055 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.015 13.323 -7.608 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.126 9.412 -9.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 0.040 12.241 -10.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 2.588 9.144 -11.503 1.00 0.00 H new ATOM 0 HH2 TRP A 79 0.573 10.541 -11.707 1.00 0.00 H new ATOM 1259 N VAL A 80 6.557 10.375 -4.259 1.00 0.00 N ATOM 1260 CA VAL A 80 7.612 9.643 -3.569 1.00 0.00 C ATOM 1261 C VAL A 80 8.270 8.642 -4.514 1.00 0.00 C ATOM 1262 O VAL A 80 9.424 8.252 -4.324 1.00 0.00 O ATOM 1263 CB VAL A 80 7.040 8.894 -2.348 1.00 0.00 C ATOM 1264 CG1 VAL A 80 5.664 8.346 -2.674 1.00 0.00 C ATOM 1265 CG2 VAL A 80 7.974 7.780 -1.891 1.00 0.00 C ATOM 0 H VAL A 80 5.635 10.278 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 80 8.358 10.362 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 80 6.951 9.602 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.267 7.819 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.997 9.168 -2.935 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.737 7.657 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.541 7.273 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.111 7.065 -2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.939 8.205 -1.615 1.00 0.00 H new ATOM 1275 N ASP A 81 7.526 8.240 -5.536 1.00 0.00 N ATOM 1276 CA ASP A 81 8.027 7.290 -6.522 1.00 0.00 C ATOM 1277 C ASP A 81 8.966 7.982 -7.501 1.00 0.00 C ATOM 1278 O ASP A 81 9.473 7.364 -8.437 1.00 0.00 O ATOM 1279 CB ASP A 81 6.863 6.646 -7.279 1.00 0.00 C ATOM 1280 CG ASP A 81 7.266 5.361 -7.975 1.00 0.00 C ATOM 1281 OD1 ASP A 81 7.824 4.471 -7.300 1.00 0.00 O ATOM 1282 OD2 ASP A 81 7.024 5.245 -9.195 1.00 0.00 O ATOM 0 H ASP A 81 6.571 8.557 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 81 8.581 6.511 -5.998 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.050 6.439 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.479 7.350 -8.017 1.00 0.00 H new ATOM 1287 N GLY A 82 9.195 9.270 -7.269 1.00 0.00 N ATOM 1288 CA GLY A 82 10.075 10.034 -8.127 1.00 0.00 C ATOM 1289 C GLY A 82 9.412 10.456 -9.422 1.00 0.00 C ATOM 1290 O GLY A 82 10.064 10.523 -10.465 1.00 0.00 O ATOM 0 H GLY A 82 8.784 9.798 -6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.416 10.921 -7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.960 9.439 -8.354 1.00 0.00 H new ATOM 1294 N SER A 83 8.114 10.740 -9.362 1.00 0.00 N ATOM 1295 CA SER A 83 7.373 11.156 -10.547 1.00 0.00 C ATOM 1296 C SER A 83 6.504 12.377 -10.259 1.00 0.00 C ATOM 1297 O SER A 83 5.641 12.342 -9.385 1.00 0.00 O ATOM 1298 CB SER A 83 6.502 10.007 -11.058 1.00 0.00 C ATOM 1299 OG SER A 83 5.703 10.420 -12.153 1.00 0.00 O ATOM 0 H SER A 83 7.556 10.690 -8.509 1.00 0.00 H new ATOM 0 HA SER A 83 8.098 11.428 -11.314 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.135 9.173 -11.360 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.862 9.646 -10.253 1.00 0.00 H new ATOM 0 HG SER A 83 4.758 10.398 -11.895 1.00 0.00 H new ATOM 1305 N HIS A 84 6.737 13.457 -11.002 1.00 0.00 N ATOM 1306 CA HIS A 84 5.974 14.688 -10.829 1.00 0.00 C ATOM 1307 C HIS A 84 4.474 14.412 -10.865 1.00 0.00 C ATOM 1308 O HIS A 84 4.012 13.519 -11.576 1.00 0.00 O ATOM 1309 CB HIS A 84 6.340 15.698 -11.919 1.00 0.00 C ATOM 1310 CG HIS A 84 7.815 15.867 -12.113 1.00 0.00 C ATOM 1311 ND1 HIS A 84 8.550 16.852 -11.487 1.00 0.00 N ATOM 1312 CD2 HIS A 84 8.695 15.171 -12.873 1.00 0.00 C ATOM 1313 CE1 HIS A 84 9.815 16.756 -11.853 1.00 0.00 C ATOM 1314 NE2 HIS A 84 9.930 15.744 -12.694 1.00 0.00 N ATOM 0 H HIS A 84 7.450 13.503 -11.730 1.00 0.00 H new ATOM 0 HA HIS A 84 6.226 15.105 -9.854 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.893 15.381 -12.861 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.903 16.664 -11.668 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.467 14.323 -13.502 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.619 17.396 -11.521 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.796 15.438 -13.138 1.00 0.00 H new ATOM 1323 N VAL A 85 3.722 15.187 -10.092 1.00 0.00 N ATOM 1324 CA VAL A 85 2.273 15.036 -10.027 1.00 0.00 C ATOM 1325 C VAL A 85 1.634 15.260 -11.395 1.00 0.00 C ATOM 1326 O VAL A 85 2.211 15.920 -12.259 1.00 0.00 O ATOM 1327 CB VAL A 85 1.659 16.017 -9.010 1.00 0.00 C ATOM 1328 CG1 VAL A 85 0.173 15.753 -8.832 1.00 0.00 C ATOM 1329 CG2 VAL A 85 2.380 15.921 -7.679 1.00 0.00 C ATOM 0 H VAL A 85 4.094 15.929 -9.499 1.00 0.00 H new ATOM 0 HA VAL A 85 2.070 14.015 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 85 1.779 17.029 -9.397 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.238 16.458 -8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.335 15.876 -9.788 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.025 14.735 -8.471 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.934 16.621 -6.972 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.292 14.907 -7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.433 16.167 -7.817 1.00 0.00 H new ATOM 1339 N ASP A 86 0.443 14.701 -11.587 1.00 0.00 N ATOM 1340 CA ASP A 86 -0.269 14.836 -12.853 1.00 0.00 C ATOM 1341 C ASP A 86 -1.593 15.573 -12.674 1.00 0.00 C ATOM 1342 O ASP A 86 -1.854 16.568 -13.352 1.00 0.00 O ATOM 1343 CB ASP A 86 -0.521 13.457 -13.467 1.00 0.00 C ATOM 1344 CG ASP A 86 0.604 13.019 -14.385 1.00 0.00 C ATOM 1345 OD1 ASP A 86 1.742 12.866 -13.895 1.00 0.00 O ATOM 1346 OD2 ASP A 86 0.345 12.829 -15.591 1.00 0.00 O ATOM 0 H ASP A 86 -0.049 14.151 -10.883 1.00 0.00 H new ATOM 0 HA ASP A 86 0.357 15.423 -13.525 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.642 12.724 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.456 13.477 -14.027 1.00 0.00 H new ATOM 1351 N TYR A 87 -2.433 15.076 -11.769 1.00 0.00 N ATOM 1352 CA TYR A 87 -3.735 15.689 -11.520 1.00 0.00 C ATOM 1353 C TYR A 87 -3.710 16.577 -10.280 1.00 0.00 C ATOM 1354 O TYR A 87 -4.179 17.714 -10.313 1.00 0.00 O ATOM 1355 CB TYR A 87 -4.809 14.611 -11.366 1.00 0.00 C ATOM 1356 CG TYR A 87 -5.125 13.882 -12.653 1.00 0.00 C ATOM 1357 CD1 TYR A 87 -4.333 12.829 -13.090 1.00 0.00 C ATOM 1358 CD2 TYR A 87 -6.216 14.251 -13.431 1.00 0.00 C ATOM 1359 CE1 TYR A 87 -4.617 12.162 -14.266 1.00 0.00 C ATOM 1360 CE2 TYR A 87 -6.508 13.588 -14.608 1.00 0.00 C ATOM 1361 CZ TYR A 87 -5.706 12.545 -15.021 1.00 0.00 C ATOM 1362 OH TYR A 87 -5.994 11.883 -16.193 1.00 0.00 O ATOM 0 H TYR A 87 -2.236 14.254 -11.198 1.00 0.00 H new ATOM 0 HA TYR A 87 -3.973 16.316 -12.379 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.481 13.887 -10.620 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.721 15.071 -10.985 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.480 12.526 -12.501 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -6.845 15.068 -13.111 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -3.990 11.345 -14.592 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -7.360 13.885 -15.201 1.00 0.00 H new ATOM 0 HH TYR A 87 -6.793 12.276 -16.603 1.00 0.00 H new ATOM 1372 N SER A 88 -3.169 16.044 -9.189 1.00 0.00 N ATOM 1373 CA SER A 88 -3.088 16.778 -7.925 1.00 0.00 C ATOM 1374 C SER A 88 -4.483 17.149 -7.426 1.00 0.00 C ATOM 1375 O SER A 88 -5.454 17.087 -8.179 1.00 0.00 O ATOM 1376 CB SER A 88 -2.230 18.035 -8.081 1.00 0.00 C ATOM 1377 OG SER A 88 -1.677 18.128 -9.382 1.00 0.00 O ATOM 0 H SER A 88 -2.778 15.103 -9.152 1.00 0.00 H new ATOM 0 HA SER A 88 -2.617 16.128 -7.188 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.836 18.918 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.428 18.023 -7.343 1.00 0.00 H new ATOM 0 HG SER A 88 -1.136 18.942 -9.450 1.00 0.00 H new ATOM 1383 N ASN A 89 -4.589 17.515 -6.149 1.00 0.00 N ATOM 1384 CA ASN A 89 -5.884 17.867 -5.578 1.00 0.00 C ATOM 1385 C ASN A 89 -5.802 19.022 -4.575 1.00 0.00 C ATOM 1386 O ASN A 89 -6.839 19.543 -4.166 1.00 0.00 O ATOM 1387 CB ASN A 89 -6.497 16.639 -4.904 1.00 0.00 C ATOM 1388 CG ASN A 89 -7.048 15.638 -5.897 1.00 0.00 C ATOM 1389 OD1 ASN A 89 -7.505 16.002 -6.980 1.00 0.00 O ATOM 1390 ND2 ASN A 89 -7.010 14.364 -5.524 1.00 0.00 N ATOM 0 H ASN A 89 -3.805 17.575 -5.500 1.00 0.00 H new ATOM 0 HA ASN A 89 -6.515 18.206 -6.400 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -5.741 16.153 -4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -7.296 16.958 -4.235 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -7.369 13.640 -6.146 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -6.621 14.110 -4.616 1.00 0.00 H new ATOM 1592 N CYS A 104 4.526 18.193 1.914 1.00 0.00 N ATOM 1593 CA CYS A 104 3.791 16.973 1.596 1.00 0.00 C ATOM 1594 C CYS A 104 2.307 17.282 1.445 1.00 0.00 C ATOM 1595 O CYS A 104 1.862 18.393 1.732 1.00 0.00 O ATOM 1596 CB CYS A 104 4.005 15.902 2.670 1.00 0.00 C ATOM 1597 SG CYS A 104 5.755 15.506 2.994 1.00 0.00 S ATOM 0 HA CYS A 104 4.172 16.582 0.652 1.00 0.00 H new ATOM 0 HB2 CYS A 104 3.542 16.237 3.598 1.00 0.00 H new ATOM 0 HB3 CYS A 104 3.488 14.991 2.367 1.00 0.00 H new ATOM 0 HG CYS A 104 5.914 14.216 3.000 1.00 0.00 H new ATOM 1602 N VAL A 105 1.546 16.305 0.972 1.00 0.00 N ATOM 1603 CA VAL A 105 0.121 16.496 0.764 1.00 0.00 C ATOM 1604 C VAL A 105 -0.717 15.482 1.544 1.00 0.00 C ATOM 1605 O VAL A 105 -0.332 14.324 1.708 1.00 0.00 O ATOM 1606 CB VAL A 105 -0.222 16.423 -0.731 1.00 0.00 C ATOM 1607 CG1 VAL A 105 -1.722 16.473 -0.948 1.00 0.00 C ATOM 1608 CG2 VAL A 105 0.459 17.557 -1.475 1.00 0.00 C ATOM 0 H VAL A 105 1.891 15.377 0.727 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.126 17.488 1.142 1.00 0.00 H new ATOM 0 HB VAL A 105 0.142 15.473 -1.122 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -1.937 16.420 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -2.191 15.630 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -2.117 17.405 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.211 17.498 -2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.117 18.512 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.539 17.477 -1.351 1.00 0.00 H new ATOM 1618 N MET A 106 -1.866 15.949 2.024 1.00 0.00 N ATOM 1619 CA MET A 106 -2.794 15.134 2.803 1.00 0.00 C ATOM 1620 C MET A 106 -4.231 15.468 2.413 1.00 0.00 C ATOM 1621 O MET A 106 -4.463 16.421 1.683 1.00 0.00 O ATOM 1622 CB MET A 106 -2.590 15.375 4.300 1.00 0.00 C ATOM 1623 CG MET A 106 -3.211 16.671 4.798 1.00 0.00 C ATOM 1624 SD MET A 106 -2.196 17.500 6.034 1.00 0.00 S ATOM 1625 CE MET A 106 -0.803 18.022 5.035 1.00 0.00 C ATOM 0 H MET A 106 -2.181 16.909 1.883 1.00 0.00 H new ATOM 0 HA MET A 106 -2.600 14.083 2.590 1.00 0.00 H new ATOM 0 HB2 MET A 106 -3.017 14.540 4.855 1.00 0.00 H new ATOM 0 HB3 MET A 106 -1.522 15.388 4.515 1.00 0.00 H new ATOM 0 HG2 MET A 106 -3.367 17.342 3.953 1.00 0.00 H new ATOM 0 HG3 MET A 106 -4.192 16.459 5.223 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.306 18.865 5.516 1.00 0.00 H new ATOM 0 HE2 MET A 106 -0.099 17.196 4.932 1.00 0.00 H new ATOM 0 HE3 MET A 106 -1.155 18.323 4.049 1.00 0.00 H new ATOM 1725 N TRP A 113 -7.500 17.118 -1.361 1.00 0.00 N ATOM 1726 CA TRP A 113 -6.210 17.241 -0.698 1.00 0.00 C ATOM 1727 C TRP A 113 -5.944 18.664 -0.270 1.00 0.00 C ATOM 1728 O TRP A 113 -6.508 19.614 -0.804 1.00 0.00 O ATOM 1729 CB TRP A 113 -5.049 16.889 -1.621 1.00 0.00 C ATOM 1730 CG TRP A 113 -5.068 15.535 -2.233 1.00 0.00 C ATOM 1731 CD1 TRP A 113 -5.921 14.502 -1.986 1.00 0.00 C ATOM 1732 CD2 TRP A 113 -4.154 15.083 -3.226 1.00 0.00 C ATOM 1733 NE1 TRP A 113 -5.590 13.429 -2.777 1.00 0.00 N ATOM 1734 CE2 TRP A 113 -4.501 13.763 -3.547 1.00 0.00 C ATOM 1735 CE3 TRP A 113 -3.072 15.684 -3.875 1.00 0.00 C ATOM 1736 CZ2 TRP A 113 -3.797 13.022 -4.497 1.00 0.00 C ATOM 1737 CZ3 TRP A 113 -2.374 14.951 -4.817 1.00 0.00 C ATOM 1738 CH2 TRP A 113 -2.739 13.632 -5.120 1.00 0.00 C ATOM 0 HA TRP A 113 -6.266 16.557 0.149 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -5.018 17.625 -2.425 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -4.122 16.994 -1.057 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -6.734 14.523 -1.276 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -6.073 12.531 -2.791 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.787 16.700 -3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -4.075 12.005 -4.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -1.535 15.401 -5.327 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -2.175 13.084 -5.860 1.00 0.00 H new ATOM 1749 N ASN A 114 -5.002 18.791 0.636 1.00 0.00 N ATOM 1750 CA ASN A 114 -4.544 20.074 1.086 1.00 0.00 C ATOM 1751 C ASN A 114 -3.028 20.017 1.151 1.00 0.00 C ATOM 1752 O ASN A 114 -2.454 19.197 1.870 1.00 0.00 O ATOM 1753 CB ASN A 114 -5.131 20.415 2.457 1.00 0.00 C ATOM 1754 CG ASN A 114 -6.635 20.608 2.411 1.00 0.00 C ATOM 1755 OD1 ASN A 114 -7.398 19.702 2.746 1.00 0.00 O ATOM 1756 ND2 ASN A 114 -7.067 21.792 1.995 1.00 0.00 N ATOM 0 H ASN A 114 -4.534 18.001 1.080 1.00 0.00 H new ATOM 0 HA ASN A 114 -4.869 20.854 0.398 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.891 19.618 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.662 21.324 2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.068 21.980 1.943 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -6.398 22.514 1.727 1.00 0.00 H new ATOM 1763 N ASP A 115 -2.385 20.876 0.381 1.00 0.00 N ATOM 1764 CA ASP A 115 -0.937 20.918 0.326 1.00 0.00 C ATOM 1765 C ASP A 115 -0.364 21.747 1.471 1.00 0.00 C ATOM 1766 O ASP A 115 -0.512 22.969 1.502 1.00 0.00 O ATOM 1767 CB ASP A 115 -0.491 21.488 -1.016 1.00 0.00 C ATOM 1768 CG ASP A 115 1.017 21.463 -1.165 1.00 0.00 C ATOM 1769 OD1 ASP A 115 1.608 20.371 -1.026 1.00 0.00 O ATOM 1770 OD2 ASP A 115 1.608 22.533 -1.419 1.00 0.00 O ATOM 0 H ASP A 115 -2.848 21.559 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 115 -0.559 19.901 0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.946 20.914 -1.824 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.849 22.513 -1.113 1.00 0.00 H new ATOM 1891 N GLY A 123 -3.169 10.910 11.249 1.00 0.00 N ATOM 1892 CA GLY A 123 -3.159 9.773 12.153 1.00 0.00 C ATOM 1893 C GLY A 123 -3.381 8.445 11.453 1.00 0.00 C ATOM 1894 O GLY A 123 -3.548 7.417 12.110 1.00 0.00 O ATOM 0 HA2 GLY A 123 -2.204 9.744 12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -3.933 9.911 12.908 1.00 0.00 H new ATOM 1898 N ALA A 124 -3.384 8.457 10.123 1.00 0.00 N ATOM 1899 CA ALA A 124 -3.587 7.234 9.354 1.00 0.00 C ATOM 1900 C ALA A 124 -2.571 7.119 8.223 1.00 0.00 C ATOM 1901 O ALA A 124 -2.387 8.054 7.446 1.00 0.00 O ATOM 1902 CB ALA A 124 -5.003 7.189 8.799 1.00 0.00 C ATOM 0 H ALA A 124 -3.249 9.296 9.558 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.442 6.386 10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.141 6.271 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.717 7.215 9.622 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.167 8.049 8.150 1.00 0.00 H new ATOM 1908 N TRP A 125 -1.919 5.962 8.133 1.00 0.00 N ATOM 1909 CA TRP A 125 -0.926 5.725 7.094 1.00 0.00 C ATOM 1910 C TRP A 125 -1.523 4.896 5.968 1.00 0.00 C ATOM 1911 O TRP A 125 -2.194 3.886 6.208 1.00 0.00 O ATOM 1912 CB TRP A 125 0.298 5.015 7.674 1.00 0.00 C ATOM 1913 CG TRP A 125 -0.037 3.733 8.370 1.00 0.00 C ATOM 1914 CD1 TRP A 125 -0.503 3.594 9.644 1.00 0.00 C ATOM 1915 CD2 TRP A 125 0.067 2.409 7.833 1.00 0.00 C ATOM 1916 NE1 TRP A 125 -0.700 2.267 9.932 1.00 0.00 N ATOM 1917 CE2 TRP A 125 -0.355 1.518 8.837 1.00 0.00 C ATOM 1918 CE3 TRP A 125 0.475 1.892 6.600 1.00 0.00 C ATOM 1919 CZ2 TRP A 125 -0.382 0.139 8.646 1.00 0.00 C ATOM 1920 CZ3 TRP A 125 0.449 0.522 6.411 1.00 0.00 C ATOM 1921 CH2 TRP A 125 0.023 -0.340 7.429 1.00 0.00 C ATOM 0 H TRP A 125 -2.062 5.176 8.767 1.00 0.00 H new ATOM 0 HA TRP A 125 -0.614 6.689 6.693 1.00 0.00 H new ATOM 0 HB2 TRP A 125 1.005 4.810 6.870 1.00 0.00 H new ATOM 0 HB3 TRP A 125 0.798 5.682 8.376 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -0.690 4.410 10.327 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -1.047 1.898 10.817 1.00 0.00 H new ATOM 0 HE3 TRP A 125 0.804 2.550 5.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -0.710 -0.528 9.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 0.762 0.110 5.463 1.00 0.00 H new ATOM 0 HH2 TRP A 125 0.014 -1.405 7.250 1.00 0.00 H new ATOM 1932 N VAL A 126 -1.287 5.329 4.738 1.00 0.00 N ATOM 1933 CA VAL A 126 -1.813 4.627 3.586 1.00 0.00 C ATOM 1934 C VAL A 126 -0.745 4.401 2.511 1.00 0.00 C ATOM 1935 O VAL A 126 -0.053 5.328 2.092 1.00 0.00 O ATOM 1936 CB VAL A 126 -3.026 5.377 2.990 1.00 0.00 C ATOM 1937 CG1 VAL A 126 -2.967 6.851 3.324 1.00 0.00 C ATOM 1938 CG2 VAL A 126 -3.131 5.160 1.492 1.00 0.00 C ATOM 0 H VAL A 126 -0.737 6.159 4.517 1.00 0.00 H new ATOM 0 HA VAL A 126 -2.141 3.647 3.933 1.00 0.00 H new ATOM 0 HB VAL A 126 -3.926 4.964 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -3.831 7.357 2.893 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -2.974 6.979 4.406 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.053 7.281 2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -3.995 5.701 1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -2.226 5.526 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -3.248 4.096 1.286 1.00 0.00 H new ATOM 1948 N CYS A 127 -0.634 3.147 2.074 1.00 0.00 N ATOM 1949 CA CYS A 127 0.327 2.743 1.042 1.00 0.00 C ATOM 1950 C CYS A 127 -0.303 1.717 0.111 1.00 0.00 C ATOM 1951 O CYS A 127 -1.308 1.115 0.453 1.00 0.00 O ATOM 1952 CB CYS A 127 1.591 2.154 1.664 1.00 0.00 C ATOM 1953 SG CYS A 127 2.392 3.235 2.888 1.00 0.00 S ATOM 0 H CYS A 127 -1.208 2.380 2.425 1.00 0.00 H new ATOM 0 HA CYS A 127 0.601 3.633 0.476 1.00 0.00 H new ATOM 0 HB2 CYS A 127 1.340 1.207 2.141 1.00 0.00 H new ATOM 0 HB3 CYS A 127 2.304 1.932 0.870 1.00 0.00 H new ATOM 1958 N ASP A 128 0.280 1.500 -1.058 1.00 0.00 N ATOM 1959 CA ASP A 128 -0.273 0.528 -1.982 1.00 0.00 C ATOM 1960 C ASP A 128 0.768 -0.496 -2.400 1.00 0.00 C ATOM 1961 O ASP A 128 1.940 -0.176 -2.580 1.00 0.00 O ATOM 1962 CB ASP A 128 -0.836 1.229 -3.219 1.00 0.00 C ATOM 1963 CG ASP A 128 0.219 2.026 -3.962 1.00 0.00 C ATOM 1964 OD1 ASP A 128 0.808 2.944 -3.354 1.00 0.00 O ATOM 1965 OD2 ASP A 128 0.457 1.730 -5.152 1.00 0.00 O ATOM 0 H ASP A 128 1.121 1.976 -1.384 1.00 0.00 H new ATOM 0 HA ASP A 128 -1.078 0.004 -1.467 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -1.266 0.486 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -1.646 1.894 -2.919 1.00 0.00 H new ATOM 1970 N ARG A 129 0.311 -1.728 -2.560 1.00 0.00 N ATOM 1971 CA ARG A 129 1.168 -2.835 -2.961 1.00 0.00 C ATOM 1972 C ARG A 129 0.338 -3.918 -3.634 1.00 0.00 C ATOM 1973 O ARG A 129 -0.889 -3.861 -3.621 1.00 0.00 O ATOM 1974 CB ARG A 129 1.899 -3.417 -1.749 1.00 0.00 C ATOM 1975 CG ARG A 129 1.040 -4.336 -0.895 1.00 0.00 C ATOM 1976 CD ARG A 129 1.761 -5.637 -0.578 1.00 0.00 C ATOM 1977 NE ARG A 129 1.258 -6.257 0.645 1.00 0.00 N ATOM 1978 CZ ARG A 129 1.943 -7.150 1.354 1.00 0.00 C ATOM 1979 NH1 ARG A 129 3.155 -7.523 0.963 1.00 0.00 N ATOM 1980 NH2 ARG A 129 1.417 -7.670 2.454 1.00 0.00 N ATOM 0 H ARG A 129 -0.664 -1.990 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 129 1.909 -2.460 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG A 129 2.773 -3.970 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 129 2.265 -2.598 -1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 129 0.775 -3.830 0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 129 0.108 -4.553 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 129 1.642 -6.330 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 129 2.829 -5.444 -0.474 1.00 0.00 H new ATOM 0 HE ARG A 129 0.330 -5.990 0.974 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.563 -7.125 0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 129 3.678 -8.208 1.508 1.00 0.00 H new ATOM 0 HH21 ARG A 129 0.486 -7.385 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 129 1.943 -8.355 2.997 1.00 0.00 H new ATOM 1994 N LEU A 130 1.005 -4.905 -4.213 1.00 0.00 N ATOM 1995 CA LEU A 130 0.305 -5.996 -4.880 1.00 0.00 C ATOM 1996 C LEU A 130 -0.188 -7.023 -3.866 1.00 0.00 C ATOM 1997 O LEU A 130 0.482 -7.295 -2.868 1.00 0.00 O ATOM 1998 CB LEU A 130 1.220 -6.658 -5.914 1.00 0.00 C ATOM 1999 CG LEU A 130 1.286 -5.961 -7.282 1.00 0.00 C ATOM 2000 CD1 LEU A 130 0.620 -6.818 -8.348 1.00 0.00 C ATOM 2001 CD2 LEU A 130 0.639 -4.579 -7.231 1.00 0.00 C ATOM 0 H LEU A 130 2.022 -4.975 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 130 -0.563 -5.585 -5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.228 -6.708 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 130 0.886 -7.685 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 130 2.337 -5.831 -7.541 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.676 -6.310 -9.311 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.131 -7.778 -8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.425 -6.981 -8.084 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.702 -4.111 -8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 130 -0.407 -4.678 -6.942 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.160 -3.960 -6.501 1.00 0.00 H new