USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 530 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 32 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 GLN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.134 X(o=0.13,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -166:sc= 1.4 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.29! C(o=-3.3!,f=-5.3!) USER MOD Single : A 64 TYR OH : rot -162:sc= 1.5 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 12:sc= 0.827 USER MOD Single : A 68 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0672) USER MOD Single : A 70 ASN : amide:sc= -0.3 K(o=-0.3,f=-2.2) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 92:sc= 0.0342 USER MOD ----------------------------------------------------------------- ATOM 142 N LEU A 13 7.852 -1.281 5.139 1.00 0.00 N ATOM 143 CA LEU A 13 6.998 -0.119 5.361 1.00 0.00 C ATOM 144 C LEU A 13 6.083 -0.342 6.561 1.00 0.00 C ATOM 145 O LEU A 13 6.025 -1.440 7.114 1.00 0.00 O ATOM 146 CB LEU A 13 6.160 0.172 4.114 1.00 0.00 C ATOM 147 CG LEU A 13 6.906 0.886 2.985 1.00 0.00 C ATOM 148 CD1 LEU A 13 6.312 0.513 1.636 1.00 0.00 C ATOM 149 CD2 LEU A 13 6.864 2.393 3.190 1.00 0.00 C ATOM 0 HA LEU A 13 7.639 0.739 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.767 -0.770 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.303 0.780 4.404 1.00 0.00 H new ATOM 0 HG LEU A 13 7.948 0.566 3.002 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.854 1.030 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.393 -0.564 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.262 0.805 1.607 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.399 2.886 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.828 2.730 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.335 2.644 4.140 1.00 0.00 H new ATOM 161 N HIS A 14 5.369 0.706 6.959 1.00 0.00 N ATOM 162 CA HIS A 14 4.458 0.622 8.095 1.00 0.00 C ATOM 163 C HIS A 14 3.229 1.497 7.873 1.00 0.00 C ATOM 164 O HIS A 14 3.084 2.130 6.828 1.00 0.00 O ATOM 165 CB HIS A 14 5.172 1.041 9.381 1.00 0.00 C ATOM 166 CG HIS A 14 5.873 -0.087 10.070 1.00 0.00 C ATOM 167 ND1 HIS A 14 7.187 -0.038 10.480 1.00 0.00 N ATOM 168 CD2 HIS A 14 5.418 -1.317 10.423 1.00 0.00 C ATOM 169 CE1 HIS A 14 7.483 -1.212 11.055 1.00 0.00 C ATOM 170 NE2 HIS A 14 6.442 -2.023 11.047 1.00 0.00 N ATOM 0 H HIS A 14 5.403 1.622 6.512 1.00 0.00 H new ATOM 0 HA HIS A 14 4.131 -0.414 8.191 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.897 1.820 9.147 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.445 1.478 10.065 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.419 -1.688 10.247 1.00 0.00 H new ATOM 0 HE1 HIS A 14 8.448 -1.462 11.471 1.00 0.00 H new ATOM 0 HE2 HIS A 14 6.397 -2.971 11.421 1.00 0.00 H new ATOM 178 N GLU A 15 2.345 1.527 8.866 1.00 0.00 N ATOM 179 CA GLU A 15 1.127 2.324 8.781 1.00 0.00 C ATOM 180 C GLU A 15 1.425 3.800 9.030 1.00 0.00 C ATOM 181 O GLU A 15 2.302 4.141 9.824 1.00 0.00 O ATOM 182 CB GLU A 15 0.093 1.820 9.792 1.00 0.00 C ATOM 183 CG GLU A 15 -1.049 1.044 9.158 1.00 0.00 C ATOM 184 CD GLU A 15 -1.615 -0.018 10.080 1.00 0.00 C ATOM 185 OE1 GLU A 15 -2.030 0.334 11.205 1.00 0.00 O ATOM 186 OE2 GLU A 15 -1.643 -1.200 9.679 1.00 0.00 O ATOM 0 H GLU A 15 2.450 1.009 9.738 1.00 0.00 H new ATOM 0 HA GLU A 15 0.721 2.220 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.592 1.184 10.523 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.315 2.671 10.337 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.842 1.737 8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.698 0.573 8.240 1.00 0.00 H new ATOM 193 N GLY A 16 0.690 4.670 8.346 1.00 0.00 N ATOM 194 CA GLY A 16 0.891 6.098 8.506 1.00 0.00 C ATOM 195 C GLY A 16 2.180 6.577 7.868 1.00 0.00 C ATOM 196 O GLY A 16 2.858 7.455 8.403 1.00 0.00 O ATOM 0 H GLY A 16 -0.041 4.412 7.684 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.050 6.632 8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.902 6.344 9.568 1.00 0.00 H new ATOM 200 N SER A 17 2.520 5.999 6.721 1.00 0.00 N ATOM 201 CA SER A 17 3.738 6.372 6.008 1.00 0.00 C ATOM 202 C SER A 17 3.406 7.086 4.701 1.00 0.00 C ATOM 203 O SER A 17 2.258 7.083 4.255 1.00 0.00 O ATOM 204 CB SER A 17 4.587 5.131 5.723 1.00 0.00 C ATOM 205 OG SER A 17 5.239 4.679 6.897 1.00 0.00 O ATOM 0 H SER A 17 1.970 5.271 6.265 1.00 0.00 H new ATOM 0 HA SER A 17 4.305 7.055 6.640 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.954 4.337 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.328 5.361 4.957 1.00 0.00 H new ATOM 0 HG SER A 17 5.774 3.884 6.689 1.00 0.00 H new ATOM 211 N GLN A 18 4.417 7.697 4.094 1.00 0.00 N ATOM 212 CA GLN A 18 4.235 8.415 2.837 1.00 0.00 C ATOM 213 C GLN A 18 4.976 7.720 1.700 1.00 0.00 C ATOM 214 O GLN A 18 6.161 7.408 1.818 1.00 0.00 O ATOM 215 CB GLN A 18 4.725 9.857 2.975 1.00 0.00 C ATOM 216 CG GLN A 18 3.891 10.695 3.931 1.00 0.00 C ATOM 217 CD GLN A 18 2.691 11.329 3.256 1.00 0.00 C ATOM 218 OE1 GLN A 18 2.728 12.494 2.862 1.00 0.00 O ATOM 219 NE2 GLN A 18 1.617 10.560 3.117 1.00 0.00 N ATOM 0 H GLN A 18 5.372 7.710 4.452 1.00 0.00 H new ATOM 0 HA GLN A 18 3.171 8.421 2.601 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.759 9.849 3.320 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.720 10.329 1.993 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.550 10.068 4.755 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.516 11.477 4.362 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.630 9.599 3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.779 10.930 2.669 1.00 0.00 H new ATOM 228 N VAL A 19 4.271 7.481 0.599 1.00 0.00 N ATOM 229 CA VAL A 19 4.863 6.823 -0.560 1.00 0.00 C ATOM 230 C VAL A 19 4.360 7.442 -1.859 1.00 0.00 C ATOM 231 O VAL A 19 3.442 8.261 -1.855 1.00 0.00 O ATOM 232 CB VAL A 19 4.553 5.314 -0.569 1.00 0.00 C ATOM 233 CG1 VAL A 19 5.386 4.592 0.479 1.00 0.00 C ATOM 234 CG2 VAL A 19 3.069 5.072 -0.340 1.00 0.00 C ATOM 0 H VAL A 19 3.289 7.733 0.485 1.00 0.00 H new ATOM 0 HA VAL A 19 5.941 6.964 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 19 4.816 4.914 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.154 3.527 0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.445 4.737 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.157 4.994 1.466 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.869 4.000 -0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.777 5.487 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.495 5.555 -1.131 1.00 0.00 H new ATOM 244 N LEU A 20 4.969 7.044 -2.972 1.00 0.00 N ATOM 245 CA LEU A 20 4.583 7.560 -4.281 1.00 0.00 C ATOM 246 C LEU A 20 4.475 6.432 -5.301 1.00 0.00 C ATOM 247 O LEU A 20 5.230 5.460 -5.250 1.00 0.00 O ATOM 248 CB LEU A 20 5.596 8.601 -4.761 1.00 0.00 C ATOM 249 CG LEU A 20 5.268 9.250 -6.106 1.00 0.00 C ATOM 250 CD1 LEU A 20 4.241 10.357 -5.928 1.00 0.00 C ATOM 251 CD2 LEU A 20 6.531 9.792 -6.756 1.00 0.00 C ATOM 0 H LEU A 20 5.731 6.366 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 20 3.605 8.032 -4.183 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.675 9.384 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.575 8.127 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 20 4.842 8.490 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.020 10.807 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.327 9.941 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.639 11.118 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.280 10.251 -7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.984 10.538 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.235 8.976 -6.919 1.00 0.00 H new ATOM 263 N LEU A 21 3.532 6.567 -6.228 1.00 0.00 N ATOM 264 CA LEU A 21 3.326 5.559 -7.261 1.00 0.00 C ATOM 265 C LEU A 21 4.164 5.868 -8.497 1.00 0.00 C ATOM 266 O LEU A 21 4.043 6.940 -9.089 1.00 0.00 O ATOM 267 CB LEU A 21 1.845 5.484 -7.640 1.00 0.00 C ATOM 268 CG LEU A 21 0.877 5.409 -6.460 1.00 0.00 C ATOM 269 CD1 LEU A 21 -0.482 5.972 -6.848 1.00 0.00 C ATOM 270 CD2 LEU A 21 0.743 3.975 -5.971 1.00 0.00 C ATOM 0 H LEU A 21 2.899 7.365 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 21 3.642 4.595 -6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.595 6.359 -8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.692 4.609 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 21 1.278 6.013 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.158 5.910 -5.995 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.372 7.014 -7.149 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.891 5.396 -7.678 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.050 3.940 -5.130 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.365 3.349 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.718 3.607 -5.653 1.00 0.00 H new ATOM 282 N THR A 22 5.016 4.922 -8.881 1.00 0.00 N ATOM 283 CA THR A 22 5.874 5.095 -10.047 1.00 0.00 C ATOM 284 C THR A 22 5.048 5.162 -11.327 1.00 0.00 C ATOM 285 O THR A 22 5.440 5.813 -12.296 1.00 0.00 O ATOM 286 CB THR A 22 6.882 3.949 -10.137 1.00 0.00 C ATOM 287 OG1 THR A 22 6.219 2.697 -10.173 1.00 0.00 O ATOM 288 CG2 THR A 22 7.858 3.917 -8.980 1.00 0.00 C ATOM 0 H THR A 22 5.130 4.029 -8.402 1.00 0.00 H new ATOM 0 HA THR A 22 6.412 6.036 -9.934 1.00 0.00 H new ATOM 0 HB THR A 22 7.439 4.128 -11.057 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.882 1.977 -10.232 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.545 3.080 -9.106 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.423 4.849 -8.954 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.310 3.799 -8.045 1.00 0.00 H new ATOM 296 N SER A 23 3.904 4.486 -11.326 1.00 0.00 N ATOM 297 CA SER A 23 3.025 4.469 -12.489 1.00 0.00 C ATOM 298 C SER A 23 2.040 5.634 -12.445 1.00 0.00 C ATOM 299 O SER A 23 2.084 6.529 -13.287 1.00 0.00 O ATOM 300 CB SER A 23 2.263 3.145 -12.559 1.00 0.00 C ATOM 301 OG SER A 23 1.579 3.015 -13.794 1.00 0.00 O ATOM 0 H SER A 23 3.564 3.943 -10.533 1.00 0.00 H new ATOM 0 HA SER A 23 3.643 4.573 -13.381 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.958 2.315 -12.436 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.550 3.088 -11.737 1.00 0.00 H new ATOM 0 HG SER A 23 1.101 2.160 -13.815 1.00 0.00 H new ATOM 307 N SER A 24 1.152 5.614 -11.455 1.00 0.00 N ATOM 308 CA SER A 24 0.156 6.668 -11.300 1.00 0.00 C ATOM 309 C SER A 24 0.822 8.028 -11.120 1.00 0.00 C ATOM 310 O SER A 24 0.254 9.060 -11.481 1.00 0.00 O ATOM 311 CB SER A 24 -0.750 6.369 -10.104 1.00 0.00 C ATOM 312 OG SER A 24 -1.905 5.651 -10.506 1.00 0.00 O ATOM 0 H SER A 24 1.102 4.880 -10.749 1.00 0.00 H new ATOM 0 HA SER A 24 -0.447 6.698 -12.207 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.199 5.792 -9.362 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.046 7.303 -9.626 1.00 0.00 H new ATOM 0 HG SER A 24 -2.467 5.471 -9.724 1.00 0.00 H new ATOM 318 N ASN A 25 2.028 8.024 -10.561 1.00 0.00 N ATOM 319 CA ASN A 25 2.771 9.259 -10.334 1.00 0.00 C ATOM 320 C ASN A 25 2.033 10.164 -9.352 1.00 0.00 C ATOM 321 O ASN A 25 2.063 11.388 -9.476 1.00 0.00 O ATOM 322 CB ASN A 25 2.995 9.998 -11.655 1.00 0.00 C ATOM 323 CG ASN A 25 4.291 10.785 -11.665 1.00 0.00 C ATOM 324 OD1 ASN A 25 5.334 10.278 -12.077 1.00 0.00 O ATOM 325 ND2 ASN A 25 4.230 12.031 -11.210 1.00 0.00 N ATOM 0 H ASN A 25 2.512 7.179 -10.257 1.00 0.00 H new ATOM 0 HA ASN A 25 3.738 8.997 -9.905 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.004 9.278 -12.474 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.160 10.676 -11.835 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.070 12.609 -11.192 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.343 12.410 -10.878 1.00 0.00 H new ATOM 332 N GLU A 26 1.370 9.552 -8.375 1.00 0.00 N ATOM 333 CA GLU A 26 0.625 10.301 -7.370 1.00 0.00 C ATOM 334 C GLU A 26 0.969 9.817 -5.965 1.00 0.00 C ATOM 335 O GLU A 26 1.145 8.621 -5.735 1.00 0.00 O ATOM 336 CB GLU A 26 -0.879 10.166 -7.616 1.00 0.00 C ATOM 337 CG GLU A 26 -1.471 11.318 -8.413 1.00 0.00 C ATOM 338 CD GLU A 26 -1.856 12.494 -7.537 1.00 0.00 C ATOM 339 OE1 GLU A 26 -2.405 12.262 -6.439 1.00 0.00 O ATOM 340 OE2 GLU A 26 -1.611 13.647 -7.950 1.00 0.00 O ATOM 0 H GLU A 26 1.334 8.539 -8.259 1.00 0.00 H new ATOM 0 HA GLU A 26 0.907 11.351 -7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.070 9.233 -8.146 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.391 10.098 -6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.749 11.647 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.351 10.968 -8.952 1.00 0.00 H new ATOM 347 N MET A 27 1.066 10.756 -5.029 1.00 0.00 N ATOM 348 CA MET A 27 1.390 10.426 -3.646 1.00 0.00 C ATOM 349 C MET A 27 0.251 9.651 -2.992 1.00 0.00 C ATOM 350 O MET A 27 -0.922 9.969 -3.187 1.00 0.00 O ATOM 351 CB MET A 27 1.680 11.700 -2.850 1.00 0.00 C ATOM 352 CG MET A 27 2.829 12.520 -3.413 1.00 0.00 C ATOM 353 SD MET A 27 4.373 12.258 -2.520 1.00 0.00 S ATOM 354 CE MET A 27 4.098 13.265 -1.065 1.00 0.00 C ATOM 0 H MET A 27 0.925 11.751 -5.203 1.00 0.00 H new ATOM 0 HA MET A 27 2.280 9.797 -3.647 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.781 12.317 -2.827 1.00 0.00 H new ATOM 0 HB3 MET A 27 1.908 11.430 -1.819 1.00 0.00 H new ATOM 0 HG2 MET A 27 2.973 12.264 -4.463 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.568 13.578 -3.376 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.969 13.206 -0.412 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.938 14.301 -1.364 1.00 0.00 H new ATOM 0 HE3 MET A 27 3.219 12.902 -0.532 1.00 0.00 H new ATOM 364 N ALA A 28 0.604 8.634 -2.214 1.00 0.00 N ATOM 365 CA ALA A 28 -0.389 7.814 -1.530 1.00 0.00 C ATOM 366 C ALA A 28 0.040 7.514 -0.097 1.00 0.00 C ATOM 367 O ALA A 28 1.224 7.331 0.182 1.00 0.00 O ATOM 368 CB ALA A 28 -0.622 6.520 -2.297 1.00 0.00 C ATOM 0 H ALA A 28 1.571 8.358 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.324 8.374 -1.491 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.365 5.917 -1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.981 6.751 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.313 5.964 -2.365 1.00 0.00 H new ATOM 374 N THR A 29 -0.934 7.465 0.807 1.00 0.00 N ATOM 375 CA THR A 29 -0.660 7.187 2.212 1.00 0.00 C ATOM 376 C THR A 29 -0.855 5.709 2.523 1.00 0.00 C ATOM 377 O THR A 29 -1.778 5.073 2.015 1.00 0.00 O ATOM 378 CB THR A 29 -1.564 8.035 3.108 1.00 0.00 C ATOM 379 OG1 THR A 29 -1.557 9.389 2.690 1.00 0.00 O ATOM 380 CG2 THR A 29 -1.162 8.002 4.566 1.00 0.00 C ATOM 0 H THR A 29 -1.920 7.614 0.591 1.00 0.00 H new ATOM 0 HA THR A 29 0.380 7.445 2.411 1.00 0.00 H new ATOM 0 HB THR A 29 -2.558 7.598 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.142 9.915 3.274 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.844 8.624 5.146 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.206 6.976 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.146 8.382 4.672 1.00 0.00 H new ATOM 388 N VAL A 30 0.022 5.169 3.362 1.00 0.00 N ATOM 389 CA VAL A 30 -0.052 3.764 3.740 1.00 0.00 C ATOM 390 C VAL A 30 -1.027 3.557 4.894 1.00 0.00 C ATOM 391 O VAL A 30 -0.883 4.162 5.957 1.00 0.00 O ATOM 392 CB VAL A 30 1.329 3.216 4.143 1.00 0.00 C ATOM 393 CG1 VAL A 30 1.265 1.711 4.358 1.00 0.00 C ATOM 394 CG2 VAL A 30 2.370 3.568 3.092 1.00 0.00 C ATOM 0 H VAL A 30 0.791 5.683 3.792 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.407 3.219 2.865 1.00 0.00 H new ATOM 0 HB VAL A 30 1.624 3.681 5.084 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.250 1.342 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.551 1.487 5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.948 1.225 3.435 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.340 3.173 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.082 3.133 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.435 4.652 2.993 1.00 0.00 H new ATOM 404 N ARG A 31 -2.019 2.700 4.678 1.00 0.00 N ATOM 405 CA ARG A 31 -3.019 2.414 5.701 1.00 0.00 C ATOM 406 C ARG A 31 -2.864 0.993 6.234 1.00 0.00 C ATOM 407 O ARG A 31 -3.160 0.721 7.398 1.00 0.00 O ATOM 408 CB ARG A 31 -4.428 2.609 5.137 1.00 0.00 C ATOM 409 CG ARG A 31 -4.742 4.049 4.770 1.00 0.00 C ATOM 410 CD ARG A 31 -4.840 4.929 6.005 1.00 0.00 C ATOM 411 NE ARG A 31 -5.792 4.400 6.980 1.00 0.00 N ATOM 412 CZ ARG A 31 -5.921 4.869 8.219 1.00 0.00 C ATOM 413 NH1 ARG A 31 -5.163 5.874 8.639 1.00 0.00 N ATOM 414 NH2 ARG A 31 -6.812 4.330 9.041 1.00 0.00 N ATOM 0 H ARG A 31 -2.152 2.191 3.804 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.866 3.110 6.526 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.546 1.983 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.155 2.263 5.871 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.967 4.434 4.108 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.681 4.089 4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.857 5.015 6.468 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.143 5.934 5.711 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.392 3.626 6.694 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.476 6.292 8.011 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.267 6.229 9.590 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.397 3.557 8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.912 4.688 9.991 1.00 0.00 H new ATOM 428 N TYR A 32 -2.399 0.091 5.376 1.00 0.00 N ATOM 429 CA TYR A 32 -2.207 -1.302 5.763 1.00 0.00 C ATOM 430 C TYR A 32 -1.017 -1.912 5.029 1.00 0.00 C ATOM 431 O TYR A 32 -0.666 -1.483 3.930 1.00 0.00 O ATOM 432 CB TYR A 32 -3.471 -2.113 5.471 1.00 0.00 C ATOM 433 CG TYR A 32 -3.374 -3.561 5.896 1.00 0.00 C ATOM 434 CD1 TYR A 32 -2.801 -4.513 5.062 1.00 0.00 C ATOM 435 CD2 TYR A 32 -3.858 -3.976 7.130 1.00 0.00 C ATOM 436 CE1 TYR A 32 -2.712 -5.837 5.446 1.00 0.00 C ATOM 437 CE2 TYR A 32 -3.773 -5.299 7.522 1.00 0.00 C ATOM 438 CZ TYR A 32 -3.199 -6.225 6.676 1.00 0.00 C ATOM 439 OH TYR A 32 -3.112 -7.543 7.063 1.00 0.00 O ATOM 0 H TYR A 32 -2.148 0.299 4.409 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.004 -1.331 6.834 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.316 -1.649 5.981 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.681 -2.070 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.419 -4.213 4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.308 -3.253 7.794 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.263 -6.565 4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -4.154 -5.606 8.485 1.00 0.00 H new ATOM 0 HH TYR A 32 -3.500 -7.648 7.957 1.00 0.00 H new ATOM 449 N VAL A 33 -0.399 -2.915 5.646 1.00 0.00 N ATOM 450 CA VAL A 33 0.752 -3.584 5.052 1.00 0.00 C ATOM 451 C VAL A 33 0.793 -5.058 5.443 1.00 0.00 C ATOM 452 O VAL A 33 1.054 -5.396 6.597 1.00 0.00 O ATOM 453 CB VAL A 33 2.072 -2.916 5.478 1.00 0.00 C ATOM 454 CG1 VAL A 33 3.245 -3.505 4.708 1.00 0.00 C ATOM 455 CG2 VAL A 33 1.997 -1.409 5.279 1.00 0.00 C ATOM 0 H VAL A 33 -0.676 -3.282 6.557 1.00 0.00 H new ATOM 0 HA VAL A 33 0.643 -3.500 3.971 1.00 0.00 H new ATOM 0 HB VAL A 33 2.230 -3.112 6.538 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.168 -3.019 5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.311 -4.575 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.097 -3.344 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.939 -0.954 5.586 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.813 -1.190 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.185 -1.002 5.882 1.00 0.00 H new ATOM 465 N GLY A 34 0.532 -5.930 4.475 1.00 0.00 N ATOM 466 CA GLY A 34 0.545 -7.357 4.740 1.00 0.00 C ATOM 467 C GLY A 34 0.106 -8.174 3.540 1.00 0.00 C ATOM 468 O GLY A 34 0.188 -7.706 2.405 1.00 0.00 O ATOM 0 H GLY A 34 0.312 -5.675 3.512 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.550 -7.660 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.112 -7.573 5.583 1.00 0.00 H new ATOM 472 N PRO A 35 -0.369 -9.412 3.761 1.00 0.00 N ATOM 473 CA PRO A 35 -0.820 -10.290 2.676 1.00 0.00 C ATOM 474 C PRO A 35 -2.119 -9.805 2.041 1.00 0.00 C ATOM 475 O PRO A 35 -2.585 -8.700 2.322 1.00 0.00 O ATOM 476 CB PRO A 35 -1.036 -11.635 3.373 1.00 0.00 C ATOM 477 CG PRO A 35 -1.314 -11.285 4.794 1.00 0.00 C ATOM 478 CD PRO A 35 -0.502 -10.052 5.083 1.00 0.00 C ATOM 0 HA PRO A 35 -0.100 -10.330 1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.869 -12.181 2.930 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.155 -12.271 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.377 -11.098 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.034 -12.102 5.459 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.004 -9.399 5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.470 -10.302 5.508 1.00 0.00 H new ATOM 486 N THR A 36 -2.699 -10.638 1.184 1.00 0.00 N ATOM 487 CA THR A 36 -3.944 -10.295 0.509 1.00 0.00 C ATOM 488 C THR A 36 -4.801 -11.537 0.286 1.00 0.00 C ATOM 489 O THR A 36 -4.284 -12.650 0.178 1.00 0.00 O ATOM 490 CB THR A 36 -3.652 -9.615 -0.831 1.00 0.00 C ATOM 491 OG1 THR A 36 -2.478 -10.148 -1.417 1.00 0.00 O ATOM 492 CG2 THR A 36 -3.469 -8.117 -0.713 1.00 0.00 C ATOM 0 H THR A 36 -2.326 -11.556 0.941 1.00 0.00 H new ATOM 0 HA THR A 36 -4.496 -9.604 1.146 1.00 0.00 H new ATOM 0 HB THR A 36 -4.526 -9.810 -1.452 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.179 -9.561 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.265 -7.697 -1.698 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.377 -7.670 -0.309 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.633 -7.904 -0.047 1.00 0.00 H new ATOM 500 N ASP A 37 -6.114 -11.341 0.219 1.00 0.00 N ATOM 501 CA ASP A 37 -7.042 -12.446 0.011 1.00 0.00 C ATOM 502 C ASP A 37 -7.632 -12.404 -1.396 1.00 0.00 C ATOM 503 O ASP A 37 -8.822 -12.655 -1.590 1.00 0.00 O ATOM 504 CB ASP A 37 -8.164 -12.399 1.050 1.00 0.00 C ATOM 505 CG ASP A 37 -8.557 -13.779 1.539 1.00 0.00 C ATOM 506 OD1 ASP A 37 -7.834 -14.336 2.392 1.00 0.00 O ATOM 507 OD2 ASP A 37 -9.588 -14.305 1.069 1.00 0.00 O ATOM 0 H ASP A 37 -6.559 -10.427 0.306 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.490 -13.379 0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.845 -11.793 1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.036 -11.908 0.617 1.00 0.00 H new ATOM 512 N PHE A 38 -6.791 -12.087 -2.375 1.00 0.00 N ATOM 513 CA PHE A 38 -7.230 -12.012 -3.764 1.00 0.00 C ATOM 514 C PHE A 38 -6.045 -12.141 -4.716 1.00 0.00 C ATOM 515 O PHE A 38 -6.102 -12.882 -5.697 1.00 0.00 O ATOM 516 CB PHE A 38 -7.965 -10.695 -4.018 1.00 0.00 C ATOM 517 CG PHE A 38 -7.094 -9.481 -3.867 1.00 0.00 C ATOM 518 CD1 PHE A 38 -6.871 -8.922 -2.618 1.00 0.00 C ATOM 519 CD2 PHE A 38 -6.497 -8.899 -4.973 1.00 0.00 C ATOM 520 CE1 PHE A 38 -6.069 -7.807 -2.477 1.00 0.00 C ATOM 521 CE2 PHE A 38 -5.694 -7.782 -4.838 1.00 0.00 C ATOM 522 CZ PHE A 38 -5.480 -7.235 -3.588 1.00 0.00 C ATOM 0 H PHE A 38 -5.803 -11.878 -2.233 1.00 0.00 H new ATOM 0 HA PHE A 38 -7.913 -12.841 -3.949 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.382 -10.710 -5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -8.804 -10.618 -3.327 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -7.330 -9.364 -1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.661 -9.323 -5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.902 -7.382 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.235 -7.338 -5.709 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.854 -6.362 -3.479 1.00 0.00 H new ATOM 532 N ALA A 39 -4.973 -11.415 -4.418 1.00 0.00 N ATOM 533 CA ALA A 39 -3.773 -11.447 -5.246 1.00 0.00 C ATOM 534 C ALA A 39 -2.702 -12.346 -4.633 1.00 0.00 C ATOM 535 O ALA A 39 -1.849 -12.880 -5.340 1.00 0.00 O ATOM 536 CB ALA A 39 -3.232 -10.040 -5.446 1.00 0.00 C ATOM 0 H ALA A 39 -4.911 -10.797 -3.609 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.045 -11.862 -6.217 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.336 -10.079 -6.066 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.987 -9.426 -5.938 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.984 -9.604 -4.478 1.00 0.00 H new ATOM 542 N SER A 40 -2.754 -12.508 -3.315 1.00 0.00 N ATOM 543 CA SER A 40 -1.788 -13.341 -2.607 1.00 0.00 C ATOM 544 C SER A 40 -0.374 -12.796 -2.772 1.00 0.00 C ATOM 545 O SER A 40 0.339 -13.164 -3.706 1.00 0.00 O ATOM 546 CB SER A 40 -1.855 -14.783 -3.116 1.00 0.00 C ATOM 547 OG SER A 40 -3.100 -15.378 -2.797 1.00 0.00 O ATOM 0 H SER A 40 -3.455 -12.073 -2.715 1.00 0.00 H new ATOM 0 HA SER A 40 -2.042 -13.325 -1.547 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.707 -14.798 -4.196 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.046 -15.366 -2.675 1.00 0.00 H new ATOM 0 HG SER A 40 -3.119 -16.298 -3.134 1.00 0.00 H new ATOM 553 N GLY A 41 0.026 -11.916 -1.860 1.00 0.00 N ATOM 554 CA GLY A 41 1.354 -11.334 -1.922 1.00 0.00 C ATOM 555 C GLY A 41 1.510 -10.149 -0.990 1.00 0.00 C ATOM 556 O GLY A 41 0.632 -9.874 -0.172 1.00 0.00 O ATOM 0 H GLY A 41 -0.546 -11.595 -1.079 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.093 -12.094 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.562 -11.018 -2.944 1.00 0.00 H new ATOM 560 N ILE A 42 2.630 -9.445 -1.111 1.00 0.00 N ATOM 561 CA ILE A 42 2.898 -8.285 -0.273 1.00 0.00 C ATOM 562 C ILE A 42 2.341 -7.012 -0.902 1.00 0.00 C ATOM 563 O ILE A 42 2.948 -6.437 -1.805 1.00 0.00 O ATOM 564 CB ILE A 42 4.407 -8.105 -0.025 1.00 0.00 C ATOM 565 CG1 ILE A 42 5.036 -9.429 0.414 1.00 0.00 C ATOM 566 CG2 ILE A 42 4.648 -7.025 1.020 1.00 0.00 C ATOM 567 CD1 ILE A 42 5.669 -10.203 -0.722 1.00 0.00 C ATOM 0 H ILE A 42 3.367 -9.659 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 42 2.401 -8.463 0.681 1.00 0.00 H new ATOM 0 HB ILE A 42 4.878 -7.792 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.793 -9.229 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.271 -10.048 0.883 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.719 -6.910 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.231 -6.081 0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.166 -7.310 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.095 -11.130 -0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.912 -10.435 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.457 -9.603 -1.177 1.00 0.00 H new ATOM 579 N TRP A 43 1.181 -6.579 -0.418 1.00 0.00 N ATOM 580 CA TRP A 43 0.539 -5.375 -0.933 1.00 0.00 C ATOM 581 C TRP A 43 0.499 -4.282 0.131 1.00 0.00 C ATOM 582 O TRP A 43 0.897 -4.502 1.275 1.00 0.00 O ATOM 583 CB TRP A 43 -0.879 -5.691 -1.410 1.00 0.00 C ATOM 584 CG TRP A 43 -0.919 -6.670 -2.542 1.00 0.00 C ATOM 585 CD1 TRP A 43 -0.846 -8.031 -2.453 1.00 0.00 C ATOM 586 CD2 TRP A 43 -1.042 -6.365 -3.937 1.00 0.00 C ATOM 587 NE1 TRP A 43 -0.915 -8.590 -3.707 1.00 0.00 N ATOM 588 CE2 TRP A 43 -1.035 -7.587 -4.634 1.00 0.00 C ATOM 589 CE3 TRP A 43 -1.157 -5.175 -4.662 1.00 0.00 C ATOM 590 CZ2 TRP A 43 -1.141 -7.654 -6.021 1.00 0.00 C ATOM 591 CZ3 TRP A 43 -1.262 -5.243 -6.039 1.00 0.00 C ATOM 592 CH2 TRP A 43 -1.253 -6.475 -6.706 1.00 0.00 C ATOM 0 H TRP A 43 0.667 -7.044 0.330 1.00 0.00 H new ATOM 0 HA TRP A 43 1.126 -5.014 -1.777 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.456 -6.088 -0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.365 -4.766 -1.721 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.748 -8.587 -1.532 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.882 -9.588 -3.914 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.164 -4.221 -4.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.135 -8.603 -6.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.352 -4.331 -6.610 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.336 -6.494 -7.783 1.00 0.00 H new ATOM 603 N LEU A 44 0.016 -3.105 -0.253 1.00 0.00 N ATOM 604 CA LEU A 44 -0.074 -1.980 0.670 1.00 0.00 C ATOM 605 C LEU A 44 -1.351 -1.180 0.428 1.00 0.00 C ATOM 606 O LEU A 44 -1.445 -0.416 -0.531 1.00 0.00 O ATOM 607 CB LEU A 44 1.146 -1.069 0.519 1.00 0.00 C ATOM 608 CG LEU A 44 2.473 -1.796 0.289 1.00 0.00 C ATOM 609 CD1 LEU A 44 3.560 -0.811 -0.109 1.00 0.00 C ATOM 610 CD2 LEU A 44 2.881 -2.567 1.536 1.00 0.00 C ATOM 0 H LEU A 44 -0.319 -2.906 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.099 -2.377 1.685 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.972 -0.390 -0.315 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.236 -0.456 1.416 1.00 0.00 H new ATOM 0 HG LEU A 44 2.339 -2.506 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.496 -1.347 -0.268 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.272 -0.303 -1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.693 -0.076 0.685 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.827 -3.078 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.997 -1.875 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.112 -3.301 1.778 1.00 0.00 H new ATOM 622 N GLY A 45 -2.332 -1.361 1.307 1.00 0.00 N ATOM 623 CA GLY A 45 -3.588 -0.649 1.173 1.00 0.00 C ATOM 624 C GLY A 45 -3.415 0.853 1.263 1.00 0.00 C ATOM 625 O GLY A 45 -3.494 1.430 2.349 1.00 0.00 O ATOM 0 H GLY A 45 -2.279 -1.988 2.109 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.045 -0.902 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.275 -0.980 1.952 1.00 0.00 H new ATOM 629 N LEU A 46 -3.175 1.490 0.122 1.00 0.00 N ATOM 630 CA LEU A 46 -2.987 2.935 0.078 1.00 0.00 C ATOM 631 C LEU A 46 -4.321 3.664 0.197 1.00 0.00 C ATOM 632 O LEU A 46 -5.384 3.043 0.178 1.00 0.00 O ATOM 633 CB LEU A 46 -2.287 3.340 -1.221 1.00 0.00 C ATOM 634 CG LEU A 46 -0.888 2.751 -1.414 1.00 0.00 C ATOM 635 CD1 LEU A 46 -0.391 3.006 -2.828 1.00 0.00 C ATOM 636 CD2 LEU A 46 0.079 3.334 -0.393 1.00 0.00 C ATOM 0 H LEU A 46 -3.106 1.028 -0.785 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.362 3.219 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.911 3.037 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.214 4.427 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.943 1.673 -1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.605 2.580 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.071 2.542 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.350 4.080 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.070 2.905 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.130 4.416 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.269 3.099 0.613 1.00 0.00 H new ATOM 648 N GLU A 47 -4.258 4.986 0.322 1.00 0.00 N ATOM 649 CA GLU A 47 -5.460 5.802 0.444 1.00 0.00 C ATOM 650 C GLU A 47 -5.178 7.248 0.052 1.00 0.00 C ATOM 651 O GLU A 47 -4.421 7.948 0.725 1.00 0.00 O ATOM 652 CB GLU A 47 -5.996 5.745 1.877 1.00 0.00 C ATOM 653 CG GLU A 47 -7.514 5.729 1.959 1.00 0.00 C ATOM 654 CD GLU A 47 -8.088 7.057 2.411 1.00 0.00 C ATOM 655 OE1 GLU A 47 -8.354 7.914 1.543 1.00 0.00 O ATOM 656 OE2 GLU A 47 -8.272 7.239 3.633 1.00 0.00 O ATOM 0 H GLU A 47 -3.386 5.515 0.341 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.212 5.401 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.605 4.854 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.620 6.605 2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.924 5.474 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.828 4.947 2.651 1.00 0.00 H new ATOM 663 N LEU A 48 -5.790 7.690 -1.042 1.00 0.00 N ATOM 664 CA LEU A 48 -5.603 9.055 -1.523 1.00 0.00 C ATOM 665 C LEU A 48 -6.590 10.008 -0.857 1.00 0.00 C ATOM 666 O LEU A 48 -7.417 9.592 -0.046 1.00 0.00 O ATOM 667 CB LEU A 48 -5.771 9.108 -3.043 1.00 0.00 C ATOM 668 CG LEU A 48 -4.733 8.315 -3.837 1.00 0.00 C ATOM 669 CD1 LEU A 48 -5.248 8.011 -5.236 1.00 0.00 C ATOM 670 CD2 LEU A 48 -3.419 9.079 -3.906 1.00 0.00 C ATOM 0 H LEU A 48 -6.419 7.124 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.592 9.370 -1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.763 8.735 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.731 10.150 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.556 7.370 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.495 7.446 -5.786 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.164 7.424 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.454 8.945 -5.759 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.691 8.500 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.582 10.039 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.042 9.246 -2.897 1.00 0.00 H new ATOM 682 N ARG A 49 -6.496 11.287 -1.205 1.00 0.00 N ATOM 683 CA ARG A 49 -7.380 12.299 -0.642 1.00 0.00 C ATOM 684 C ARG A 49 -8.378 12.793 -1.685 1.00 0.00 C ATOM 685 O ARG A 49 -8.817 13.941 -1.644 1.00 0.00 O ATOM 686 CB ARG A 49 -6.561 13.474 -0.100 1.00 0.00 C ATOM 687 CG ARG A 49 -6.569 13.574 1.417 1.00 0.00 C ATOM 688 CD ARG A 49 -6.393 15.011 1.884 1.00 0.00 C ATOM 689 NE ARG A 49 -5.371 15.129 2.920 1.00 0.00 N ATOM 690 CZ ARG A 49 -4.773 16.273 3.246 1.00 0.00 C ATOM 691 NH1 ARG A 49 -5.095 17.399 2.621 1.00 0.00 N ATOM 692 NH2 ARG A 49 -3.853 16.291 4.200 1.00 0.00 N ATOM 0 H ARG A 49 -5.816 11.647 -1.875 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.938 11.845 0.177 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.531 13.377 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.951 14.402 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.508 13.178 1.803 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -5.770 12.957 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.122 15.637 1.034 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.342 15.386 2.267 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.099 14.285 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.804 17.390 1.887 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.634 18.273 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.603 15.429 4.684 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.395 17.167 4.450 1.00 0.00 H new ATOM 706 N SER A 50 -8.734 11.916 -2.619 1.00 0.00 N ATOM 707 CA SER A 50 -9.681 12.263 -3.672 1.00 0.00 C ATOM 708 C SER A 50 -10.094 11.026 -4.462 1.00 0.00 C ATOM 709 O SER A 50 -9.731 9.903 -4.111 1.00 0.00 O ATOM 710 CB SER A 50 -9.069 13.303 -4.613 1.00 0.00 C ATOM 711 OG SER A 50 -10.039 14.251 -5.025 1.00 0.00 O ATOM 0 H SER A 50 -8.381 10.960 -2.668 1.00 0.00 H new ATOM 0 HA SER A 50 -10.570 12.685 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.247 13.814 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.649 12.805 -5.487 1.00 0.00 H new ATOM 0 HG SER A 50 -9.623 14.906 -5.624 1.00 0.00 H new ATOM 717 N ALA A 51 -10.853 11.240 -5.532 1.00 0.00 N ATOM 718 CA ALA A 51 -11.314 10.143 -6.373 1.00 0.00 C ATOM 719 C ALA A 51 -10.431 9.988 -7.607 1.00 0.00 C ATOM 720 O ALA A 51 -10.823 10.357 -8.714 1.00 0.00 O ATOM 721 CB ALA A 51 -12.763 10.367 -6.783 1.00 0.00 C ATOM 0 H ALA A 51 -11.161 12.163 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.249 9.221 -5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -13.095 9.540 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.389 10.420 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.843 11.301 -7.340 1.00 0.00 H new ATOM 727 N LYS A 52 -9.237 9.440 -7.407 1.00 0.00 N ATOM 728 CA LYS A 52 -8.297 9.236 -8.504 1.00 0.00 C ATOM 729 C LYS A 52 -7.639 7.863 -8.408 1.00 0.00 C ATOM 730 O LYS A 52 -6.490 7.685 -8.812 1.00 0.00 O ATOM 731 CB LYS A 52 -7.226 10.327 -8.495 1.00 0.00 C ATOM 732 CG LYS A 52 -7.783 11.729 -8.687 1.00 0.00 C ATOM 733 CD LYS A 52 -6.678 12.734 -8.966 1.00 0.00 C ATOM 734 CE LYS A 52 -6.946 14.063 -8.278 1.00 0.00 C ATOM 735 NZ LYS A 52 -6.154 15.170 -8.881 1.00 0.00 N ATOM 0 H LYS A 52 -8.897 9.129 -6.497 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.853 9.289 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.686 10.286 -7.549 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -6.503 10.121 -9.284 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.494 11.729 -9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.332 12.029 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.724 12.332 -8.624 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.591 12.891 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.008 14.299 -8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.704 13.979 -7.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.365 16.059 -8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.140 14.958 -8.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.403 15.268 -9.886 1.00 0.00 H new ATOM 749 N GLY A 53 -8.376 6.895 -7.870 1.00 0.00 N ATOM 750 CA GLY A 53 -7.847 5.551 -7.731 1.00 0.00 C ATOM 751 C GLY A 53 -8.671 4.522 -8.479 1.00 0.00 C ATOM 752 O GLY A 53 -9.045 4.735 -9.633 1.00 0.00 O ATOM 0 H GLY A 53 -9.329 7.018 -7.528 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.821 5.528 -8.100 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.812 5.285 -6.674 1.00 0.00 H new ATOM 756 N LYS A 54 -8.956 3.403 -7.821 1.00 0.00 N ATOM 757 CA LYS A 54 -9.742 2.337 -8.429 1.00 0.00 C ATOM 758 C LYS A 54 -10.502 1.548 -7.368 1.00 0.00 C ATOM 759 O LYS A 54 -11.695 1.282 -7.512 1.00 0.00 O ATOM 760 CB LYS A 54 -8.835 1.399 -9.228 1.00 0.00 C ATOM 761 CG LYS A 54 -8.690 1.793 -10.690 1.00 0.00 C ATOM 762 CD LYS A 54 -7.252 1.656 -11.165 1.00 0.00 C ATOM 763 CE LYS A 54 -7.035 0.353 -11.917 1.00 0.00 C ATOM 764 NZ LYS A 54 -7.234 0.519 -13.383 1.00 0.00 N ATOM 0 H LYS A 54 -8.654 3.211 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.466 2.793 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.848 1.380 -8.766 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.233 0.386 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.338 1.166 -11.303 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.022 2.822 -10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.000 2.497 -11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.579 1.699 -10.309 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.026 -0.012 -11.727 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.724 -0.403 -11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.077 -0.392 -13.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.205 0.843 -13.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.559 1.222 -13.748 1.00 0.00 H new ATOM 778 N ASN A 55 -9.803 1.177 -6.301 1.00 0.00 N ATOM 779 CA ASN A 55 -10.412 0.419 -5.214 1.00 0.00 C ATOM 780 C ASN A 55 -11.326 1.307 -4.377 1.00 0.00 C ATOM 781 O ASN A 55 -11.251 2.534 -4.449 1.00 0.00 O ATOM 782 CB ASN A 55 -9.330 -0.199 -4.325 1.00 0.00 C ATOM 783 CG ASN A 55 -8.789 -1.497 -4.891 1.00 0.00 C ATOM 784 OD1 ASN A 55 -8.851 -2.544 -4.245 1.00 0.00 O ATOM 785 ND2 ASN A 55 -8.253 -1.437 -6.105 1.00 0.00 N ATOM 0 H ASN A 55 -8.814 1.389 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.011 -0.379 -5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.512 0.511 -4.206 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.740 -0.382 -3.332 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.873 -2.279 -6.537 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.222 -0.549 -6.605 1.00 0.00 H new ATOM 792 N ASP A 56 -12.188 0.681 -3.583 1.00 0.00 N ATOM 793 CA ASP A 56 -13.117 1.415 -2.733 1.00 0.00 C ATOM 794 C ASP A 56 -12.646 1.411 -1.282 1.00 0.00 C ATOM 795 O ASP A 56 -12.909 2.350 -0.531 1.00 0.00 O ATOM 796 CB ASP A 56 -14.518 0.808 -2.828 1.00 0.00 C ATOM 797 CG ASP A 56 -14.533 -0.668 -2.482 1.00 0.00 C ATOM 798 OD1 ASP A 56 -14.300 -1.494 -3.391 1.00 0.00 O ATOM 799 OD2 ASP A 56 -14.777 -1.000 -1.303 1.00 0.00 O ATOM 0 H ASP A 56 -12.262 -0.334 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 56 -13.152 2.447 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.189 1.343 -2.156 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.903 0.945 -3.838 1.00 0.00 H new ATOM 804 N GLY A 57 -11.949 0.348 -0.893 1.00 0.00 N ATOM 805 CA GLY A 57 -11.453 0.242 0.466 1.00 0.00 C ATOM 806 C GLY A 57 -11.312 -1.196 0.921 1.00 0.00 C ATOM 807 O GLY A 57 -10.468 -1.509 1.762 1.00 0.00 O ATOM 0 H GLY A 57 -11.719 -0.442 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.485 0.738 0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.130 0.768 1.139 1.00 0.00 H new ATOM 811 N ALA A 58 -12.140 -2.075 0.365 1.00 0.00 N ATOM 812 CA ALA A 58 -12.105 -3.488 0.717 1.00 0.00 C ATOM 813 C ALA A 58 -12.345 -4.365 -0.507 1.00 0.00 C ATOM 814 O ALA A 58 -13.196 -4.061 -1.343 1.00 0.00 O ATOM 815 CB ALA A 58 -13.136 -3.789 1.794 1.00 0.00 C ATOM 0 H ALA A 58 -12.844 -1.832 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.112 -3.716 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.099 -4.848 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.918 -3.196 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -14.131 -3.539 1.425 1.00 0.00 H new ATOM 821 N VAL A 59 -11.589 -5.453 -0.607 1.00 0.00 N ATOM 822 CA VAL A 59 -11.720 -6.374 -1.730 1.00 0.00 C ATOM 823 C VAL A 59 -12.016 -7.790 -1.247 1.00 0.00 C ATOM 824 O VAL A 59 -11.297 -8.333 -0.409 1.00 0.00 O ATOM 825 CB VAL A 59 -10.444 -6.395 -2.592 1.00 0.00 C ATOM 826 CG1 VAL A 59 -10.670 -7.201 -3.862 1.00 0.00 C ATOM 827 CG2 VAL A 59 -10.001 -4.978 -2.923 1.00 0.00 C ATOM 0 H VAL A 59 -10.879 -5.719 0.076 1.00 0.00 H new ATOM 0 HA VAL A 59 -12.553 -6.017 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.650 -6.876 -2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.757 -7.204 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.936 -8.225 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.478 -6.752 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.098 -5.012 -3.533 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.792 -4.469 -3.474 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.795 -4.436 -2.000 1.00 0.00 H new ATOM 837 N GLY A 60 -13.080 -8.381 -1.780 1.00 0.00 N ATOM 838 CA GLY A 60 -13.452 -9.728 -1.392 1.00 0.00 C ATOM 839 C GLY A 60 -14.144 -9.773 -0.044 1.00 0.00 C ATOM 840 O GLY A 60 -15.124 -9.062 0.182 1.00 0.00 O ATOM 0 H GLY A 60 -13.691 -7.951 -2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -14.111 -10.152 -2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -12.560 -10.353 -1.360 1.00 0.00 H new ATOM 844 N ASP A 61 -13.634 -10.611 0.853 1.00 0.00 N ATOM 845 CA ASP A 61 -14.209 -10.745 2.187 1.00 0.00 C ATOM 846 C ASP A 61 -13.285 -10.145 3.242 1.00 0.00 C ATOM 847 O ASP A 61 -13.262 -10.595 4.387 1.00 0.00 O ATOM 848 CB ASP A 61 -14.476 -12.218 2.504 1.00 0.00 C ATOM 849 CG ASP A 61 -13.221 -13.064 2.418 1.00 0.00 C ATOM 850 OD1 ASP A 61 -12.585 -13.077 1.343 1.00 0.00 O ATOM 851 OD2 ASP A 61 -12.873 -13.715 3.427 1.00 0.00 O ATOM 0 H ASP A 61 -12.824 -11.207 0.681 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.152 -10.199 2.205 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.899 -12.301 3.505 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.221 -12.607 1.810 1.00 0.00 H new ATOM 856 N LYS A 62 -12.526 -9.128 2.848 1.00 0.00 N ATOM 857 CA LYS A 62 -11.600 -8.467 3.760 1.00 0.00 C ATOM 858 C LYS A 62 -11.359 -7.021 3.339 1.00 0.00 C ATOM 859 O LYS A 62 -11.573 -6.658 2.182 1.00 0.00 O ATOM 860 CB LYS A 62 -10.272 -9.227 3.810 1.00 0.00 C ATOM 861 CG LYS A 62 -9.749 -9.446 5.220 1.00 0.00 C ATOM 862 CD LYS A 62 -8.235 -9.327 5.279 1.00 0.00 C ATOM 863 CE LYS A 62 -7.772 -8.779 6.618 1.00 0.00 C ATOM 864 NZ LYS A 62 -6.321 -9.026 6.848 1.00 0.00 N ATOM 0 H LYS A 62 -12.534 -8.744 1.903 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.047 -8.465 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.398 -10.194 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -9.526 -8.677 3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -10.199 -8.716 5.893 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -10.051 -10.432 5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.785 -10.305 5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.889 -8.674 4.478 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.969 -7.708 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.350 -9.240 7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.045 -8.637 7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.137 -10.049 6.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.767 -8.564 6.099 1.00 0.00 H new ATOM 878 N ARG A 63 -10.914 -6.199 4.284 1.00 0.00 N ATOM 879 CA ARG A 63 -10.646 -4.792 4.008 1.00 0.00 C ATOM 880 C ARG A 63 -9.207 -4.432 4.368 1.00 0.00 C ATOM 881 O ARG A 63 -8.636 -4.979 5.310 1.00 0.00 O ATOM 882 CB ARG A 63 -11.620 -3.903 4.787 1.00 0.00 C ATOM 883 CG ARG A 63 -11.374 -3.892 6.287 1.00 0.00 C ATOM 884 CD ARG A 63 -12.678 -3.844 7.068 1.00 0.00 C ATOM 885 NE ARG A 63 -12.452 -3.825 8.511 1.00 0.00 N ATOM 886 CZ ARG A 63 -13.397 -4.074 9.414 1.00 0.00 C ATOM 887 NH1 ARG A 63 -14.635 -4.362 9.027 1.00 0.00 N ATOM 888 NH2 ARG A 63 -13.106 -4.037 10.706 1.00 0.00 N ATOM 0 H ARG A 63 -10.732 -6.483 5.247 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.787 -4.622 2.941 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.548 -2.883 4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.638 -4.243 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.812 -4.782 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.760 -3.030 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.242 -2.957 6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -13.288 -4.709 6.808 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.514 -3.608 8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.865 -4.393 8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -15.356 -4.552 9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -12.157 -3.818 11.009 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -13.831 -4.228 11.398 1.00 0.00 H new ATOM 902 N TYR A 64 -8.628 -3.506 3.610 1.00 0.00 N ATOM 903 CA TYR A 64 -7.256 -3.071 3.848 1.00 0.00 C ATOM 904 C TYR A 64 -7.213 -1.626 4.338 1.00 0.00 C ATOM 905 O TYR A 64 -6.244 -1.205 4.971 1.00 0.00 O ATOM 906 CB TYR A 64 -6.427 -3.213 2.570 1.00 0.00 C ATOM 907 CG TYR A 64 -6.449 -4.609 1.988 1.00 0.00 C ATOM 908 CD1 TYR A 64 -5.772 -5.651 2.609 1.00 0.00 C ATOM 909 CD2 TYR A 64 -7.146 -4.884 0.818 1.00 0.00 C ATOM 910 CE1 TYR A 64 -5.790 -6.928 2.081 1.00 0.00 C ATOM 911 CE2 TYR A 64 -7.169 -6.157 0.284 1.00 0.00 C ATOM 912 CZ TYR A 64 -6.489 -7.176 0.918 1.00 0.00 C ATOM 913 OH TYR A 64 -6.508 -8.446 0.390 1.00 0.00 O ATOM 0 H TYR A 64 -9.087 -3.043 2.826 1.00 0.00 H new ATOM 0 HA TYR A 64 -6.832 -3.708 4.624 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -6.801 -2.511 1.824 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -5.395 -2.933 2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -5.223 -5.460 3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -7.679 -4.089 0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.259 -7.728 2.576 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -7.717 -6.354 -0.626 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.786 -8.406 -0.549 1.00 0.00 H new ATOM 923 N PHE A 65 -8.267 -0.869 4.045 1.00 0.00 N ATOM 924 CA PHE A 65 -8.344 0.528 4.459 1.00 0.00 C ATOM 925 C PHE A 65 -9.758 1.071 4.279 1.00 0.00 C ATOM 926 O PHE A 65 -10.630 0.392 3.738 1.00 0.00 O ATOM 927 CB PHE A 65 -7.354 1.373 3.656 1.00 0.00 C ATOM 928 CG PHE A 65 -7.406 1.117 2.177 1.00 0.00 C ATOM 929 CD1 PHE A 65 -6.756 0.024 1.627 1.00 0.00 C ATOM 930 CD2 PHE A 65 -8.108 1.966 1.336 1.00 0.00 C ATOM 931 CE1 PHE A 65 -6.802 -0.216 0.267 1.00 0.00 C ATOM 932 CE2 PHE A 65 -8.158 1.732 -0.025 1.00 0.00 C ATOM 933 CZ PHE A 65 -7.504 0.639 -0.560 1.00 0.00 C ATOM 0 H PHE A 65 -9.079 -1.200 3.523 1.00 0.00 H new ATOM 0 HA PHE A 65 -8.085 0.584 5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.556 2.428 3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.344 1.174 4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.207 -0.649 2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.622 2.821 1.749 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.290 -1.071 -0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.707 2.402 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.542 0.453 -1.623 1.00 0.00 H new ATOM 943 N THR A 66 -9.978 2.299 4.738 1.00 0.00 N ATOM 944 CA THR A 66 -11.286 2.934 4.627 1.00 0.00 C ATOM 945 C THR A 66 -11.210 4.193 3.770 1.00 0.00 C ATOM 946 O THR A 66 -10.312 5.018 3.940 1.00 0.00 O ATOM 947 CB THR A 66 -11.826 3.280 6.015 1.00 0.00 C ATOM 948 OG1 THR A 66 -13.057 3.976 5.915 1.00 0.00 O ATOM 949 CG2 THR A 66 -10.880 4.135 6.830 1.00 0.00 C ATOM 0 H THR A 66 -9.267 2.874 5.190 1.00 0.00 H new ATOM 0 HA THR A 66 -11.964 2.230 4.145 1.00 0.00 H new ATOM 0 HB THR A 66 -11.953 2.323 6.522 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.387 4.187 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.325 4.343 7.803 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.938 3.605 6.968 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.695 5.073 6.307 1.00 0.00 H new ATOM 957 N CYS A 67 -12.159 4.333 2.850 1.00 0.00 N ATOM 958 CA CYS A 67 -12.200 5.492 1.965 1.00 0.00 C ATOM 959 C CYS A 67 -13.428 5.444 1.062 1.00 0.00 C ATOM 960 O CYS A 67 -14.260 4.545 1.178 1.00 0.00 O ATOM 961 CB CYS A 67 -10.930 5.558 1.116 1.00 0.00 C ATOM 962 SG CYS A 67 -10.647 4.091 0.097 1.00 0.00 S ATOM 0 H CYS A 67 -12.909 3.659 2.698 1.00 0.00 H new ATOM 0 HA CYS A 67 -12.261 6.387 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -10.984 6.433 0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -10.073 5.701 1.774 1.00 0.00 H new ATOM 0 HG CYS A 67 -11.718 3.354 0.091 1.00 0.00 H new ATOM 968 N LYS A 68 -13.535 6.418 0.164 1.00 0.00 N ATOM 969 CA LYS A 68 -14.662 6.487 -0.759 1.00 0.00 C ATOM 970 C LYS A 68 -14.389 5.660 -2.015 1.00 0.00 C ATOM 971 O LYS A 68 -13.274 5.182 -2.223 1.00 0.00 O ATOM 972 CB LYS A 68 -14.948 7.942 -1.140 1.00 0.00 C ATOM 973 CG LYS A 68 -16.190 8.513 -0.472 1.00 0.00 C ATOM 974 CD LYS A 68 -15.879 9.786 0.303 1.00 0.00 C ATOM 975 CE LYS A 68 -15.997 9.571 1.803 1.00 0.00 C ATOM 976 NZ LYS A 68 -15.058 8.524 2.290 1.00 0.00 N ATOM 0 H LYS A 68 -12.855 7.170 0.056 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.537 6.073 -0.258 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.087 8.555 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -15.064 8.010 -2.222 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.946 8.723 -1.229 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.614 7.770 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.871 10.123 0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.562 10.577 -0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.795 10.509 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.019 9.284 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.020 8.548 3.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.388 7.589 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -14.109 8.703 1.905 1.00 0.00 H new ATOM 990 N PRO A 69 -15.411 5.481 -2.870 1.00 0.00 N ATOM 991 CA PRO A 69 -15.276 4.707 -4.110 1.00 0.00 C ATOM 992 C PRO A 69 -14.157 5.233 -5.002 1.00 0.00 C ATOM 993 O PRO A 69 -14.142 6.409 -5.368 1.00 0.00 O ATOM 994 CB PRO A 69 -16.634 4.884 -4.796 1.00 0.00 C ATOM 995 CG PRO A 69 -17.577 5.235 -3.697 1.00 0.00 C ATOM 996 CD PRO A 69 -16.773 6.017 -2.698 1.00 0.00 C ATOM 0 HA PRO A 69 -15.018 3.667 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -16.596 5.670 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -16.942 3.970 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -18.413 5.825 -4.073 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -17.999 4.338 -3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -16.813 7.088 -2.898 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -17.139 5.869 -1.682 1.00 0.00 H new ATOM 1004 N ASN A 70 -13.222 4.356 -5.350 1.00 0.00 N ATOM 1005 CA ASN A 70 -12.100 4.731 -6.201 1.00 0.00 C ATOM 1006 C ASN A 70 -11.262 5.829 -5.550 1.00 0.00 C ATOM 1007 O ASN A 70 -11.044 6.889 -6.137 1.00 0.00 O ATOM 1008 CB ASN A 70 -12.603 5.196 -7.569 1.00 0.00 C ATOM 1009 CG ASN A 70 -13.022 4.039 -8.455 1.00 0.00 C ATOM 1010 OD1 ASN A 70 -13.579 3.049 -7.981 1.00 0.00 O ATOM 1011 ND2 ASN A 70 -12.753 4.159 -9.751 1.00 0.00 N ATOM 0 H ASN A 70 -13.219 3.380 -5.055 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.469 3.852 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -13.449 5.870 -7.432 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.819 5.766 -8.067 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.010 3.412 -10.396 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.290 4.998 -10.100 1.00 0.00 H new ATOM 1018 N TYR A 71 -10.796 5.567 -4.334 1.00 0.00 N ATOM 1019 CA TYR A 71 -9.981 6.531 -3.603 1.00 0.00 C ATOM 1020 C TYR A 71 -8.578 5.983 -3.364 1.00 0.00 C ATOM 1021 O TYR A 71 -7.584 6.666 -3.611 1.00 0.00 O ATOM 1022 CB TYR A 71 -10.640 6.880 -2.267 1.00 0.00 C ATOM 1023 CG TYR A 71 -11.545 8.090 -2.338 1.00 0.00 C ATOM 1024 CD1 TYR A 71 -12.461 8.236 -3.371 1.00 0.00 C ATOM 1025 CD2 TYR A 71 -11.482 9.085 -1.370 1.00 0.00 C ATOM 1026 CE1 TYR A 71 -13.289 9.341 -3.438 1.00 0.00 C ATOM 1027 CE2 TYR A 71 -12.306 10.193 -1.431 1.00 0.00 C ATOM 1028 CZ TYR A 71 -13.208 10.315 -2.467 1.00 0.00 C ATOM 1029 OH TYR A 71 -14.030 11.417 -2.530 1.00 0.00 O ATOM 0 H TYR A 71 -10.968 4.695 -3.833 1.00 0.00 H new ATOM 0 HA TYR A 71 -9.902 7.435 -4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.219 6.023 -1.922 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.863 7.060 -1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -12.528 7.475 -4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.778 8.991 -0.557 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.996 9.440 -4.248 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.244 10.959 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 71 -13.846 12.006 -1.769 1.00 0.00 H new ATOM 1039 N GLY A 72 -8.507 4.746 -2.885 1.00 0.00 N ATOM 1040 CA GLY A 72 -7.223 4.125 -2.622 1.00 0.00 C ATOM 1041 C GLY A 72 -6.749 3.265 -3.776 1.00 0.00 C ATOM 1042 O GLY A 72 -7.500 3.009 -4.717 1.00 0.00 O ATOM 0 H GLY A 72 -9.316 4.162 -2.674 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.482 4.899 -2.422 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.296 3.513 -1.723 1.00 0.00 H new ATOM 1046 N VAL A 73 -5.499 2.819 -3.705 1.00 0.00 N ATOM 1047 CA VAL A 73 -4.928 1.982 -4.754 1.00 0.00 C ATOM 1048 C VAL A 73 -4.028 0.901 -4.167 1.00 0.00 C ATOM 1049 O VAL A 73 -3.011 1.198 -3.540 1.00 0.00 O ATOM 1050 CB VAL A 73 -4.114 2.820 -5.759 1.00 0.00 C ATOM 1051 CG1 VAL A 73 -5.040 3.604 -6.675 1.00 0.00 C ATOM 1052 CG2 VAL A 73 -3.158 3.751 -5.028 1.00 0.00 C ATOM 0 H VAL A 73 -4.863 3.023 -2.934 1.00 0.00 H new ATOM 0 HA VAL A 73 -5.763 1.513 -5.274 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.523 2.142 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.447 4.189 -7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.677 2.913 -7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.661 4.273 -6.079 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.592 4.334 -5.754 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.726 4.424 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.471 3.163 -4.420 1.00 0.00 H new ATOM 1062 N LEU A 74 -4.410 -0.355 -4.372 1.00 0.00 N ATOM 1063 CA LEU A 74 -3.636 -1.482 -3.863 1.00 0.00 C ATOM 1064 C LEU A 74 -2.402 -1.725 -4.726 1.00 0.00 C ATOM 1065 O LEU A 74 -2.513 -2.083 -5.899 1.00 0.00 O ATOM 1066 CB LEU A 74 -4.502 -2.743 -3.820 1.00 0.00 C ATOM 1067 CG LEU A 74 -5.234 -2.981 -2.500 1.00 0.00 C ATOM 1068 CD1 LEU A 74 -6.530 -3.742 -2.739 1.00 0.00 C ATOM 1069 CD2 LEU A 74 -4.343 -3.736 -1.525 1.00 0.00 C ATOM 0 H LEU A 74 -5.250 -0.618 -4.887 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.308 -1.242 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.239 -2.687 -4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.870 -3.606 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.479 -2.013 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.038 -3.903 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.174 -3.164 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.307 -4.705 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.881 -3.897 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.067 -4.699 -1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.442 -3.154 -1.330 1.00 0.00 H new ATOM 1081 N VAL A 75 -1.227 -1.527 -4.138 1.00 0.00 N ATOM 1082 CA VAL A 75 0.027 -1.723 -4.854 1.00 0.00 C ATOM 1083 C VAL A 75 1.082 -2.361 -3.956 1.00 0.00 C ATOM 1084 O VAL A 75 0.882 -2.503 -2.750 1.00 0.00 O ATOM 1085 CB VAL A 75 0.575 -0.392 -5.403 1.00 0.00 C ATOM 1086 CG1 VAL A 75 -0.362 0.176 -6.457 1.00 0.00 C ATOM 1087 CG2 VAL A 75 0.787 0.604 -4.274 1.00 0.00 C ATOM 0 H VAL A 75 -1.117 -1.231 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.188 -2.391 -5.688 1.00 0.00 H new ATOM 0 HB VAL A 75 1.540 -0.583 -5.873 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.041 1.116 -6.834 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.457 -0.533 -7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.342 0.353 -6.015 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.174 1.538 -4.681 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.162 0.793 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.501 0.196 -3.558 1.00 0.00 H new ATOM 1097 N ARG A 76 2.205 -2.745 -4.554 1.00 0.00 N ATOM 1098 CA ARG A 76 3.293 -3.369 -3.811 1.00 0.00 C ATOM 1099 C ARG A 76 4.463 -2.402 -3.642 1.00 0.00 C ATOM 1100 O ARG A 76 4.593 -1.437 -4.390 1.00 0.00 O ATOM 1101 CB ARG A 76 3.763 -4.636 -4.527 1.00 0.00 C ATOM 1102 CG ARG A 76 2.627 -5.554 -4.950 1.00 0.00 C ATOM 1103 CD ARG A 76 3.134 -6.728 -5.771 1.00 0.00 C ATOM 1104 NE ARG A 76 3.484 -7.872 -4.932 1.00 0.00 N ATOM 1105 CZ ARG A 76 4.055 -8.983 -5.394 1.00 0.00 C ATOM 1106 NH1 ARG A 76 4.343 -9.102 -6.683 1.00 0.00 N ATOM 1107 NH2 ARG A 76 4.339 -9.976 -4.562 1.00 0.00 N ATOM 0 H ARG A 76 2.385 -2.635 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 76 2.920 -3.634 -2.822 1.00 0.00 H new ATOM 0 HB2 ARG A 76 4.338 -4.353 -5.409 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.437 -5.185 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.109 -5.924 -4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.899 -4.989 -5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.370 -7.025 -6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.007 -6.419 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 76 3.279 -7.816 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.127 -8.340 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.780 -9.955 -7.031 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.120 -9.888 -3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.776 -10.827 -4.914 1.00 0.00 H new ATOM 1121 N PRO A 77 5.334 -2.653 -2.644 1.00 0.00 N ATOM 1122 CA PRO A 77 6.496 -1.803 -2.381 1.00 0.00 C ATOM 1123 C PRO A 77 7.224 -1.445 -3.668 1.00 0.00 C ATOM 1124 O PRO A 77 7.430 -0.273 -3.978 1.00 0.00 O ATOM 1125 CB PRO A 77 7.372 -2.679 -1.489 1.00 0.00 C ATOM 1126 CG PRO A 77 6.406 -3.546 -0.757 1.00 0.00 C ATOM 1127 CD PRO A 77 5.254 -3.786 -1.700 1.00 0.00 C ATOM 0 HA PRO A 77 6.228 -0.850 -1.924 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.071 -3.272 -2.078 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.966 -2.077 -0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 77 6.872 -4.487 -0.465 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.065 -3.062 0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 77 5.349 -4.743 -2.213 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.301 -3.801 -1.172 1.00 0.00 H new ATOM 1135 N SER A 78 7.593 -2.475 -4.424 1.00 0.00 N ATOM 1136 CA SER A 78 8.277 -2.281 -5.691 1.00 0.00 C ATOM 1137 C SER A 78 7.448 -1.376 -6.592 1.00 0.00 C ATOM 1138 O SER A 78 7.978 -0.725 -7.494 1.00 0.00 O ATOM 1139 CB SER A 78 8.522 -3.626 -6.378 1.00 0.00 C ATOM 1140 OG SER A 78 9.758 -3.627 -7.072 1.00 0.00 O ATOM 0 H SER A 78 7.428 -3.451 -4.178 1.00 0.00 H new ATOM 0 HA SER A 78 9.241 -1.810 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.518 -4.423 -5.635 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.710 -3.835 -7.075 1.00 0.00 H new ATOM 0 HG SER A 78 9.892 -4.498 -7.501 1.00 0.00 H new ATOM 1146 N ARG A 79 6.141 -1.327 -6.331 1.00 0.00 N ATOM 1147 CA ARG A 79 5.246 -0.486 -7.110 1.00 0.00 C ATOM 1148 C ARG A 79 5.150 0.911 -6.499 1.00 0.00 C ATOM 1149 O ARG A 79 4.619 1.830 -7.121 1.00 0.00 O ATOM 1150 CB ARG A 79 3.855 -1.118 -7.196 1.00 0.00 C ATOM 1151 CG ARG A 79 3.868 -2.547 -7.713 1.00 0.00 C ATOM 1152 CD ARG A 79 3.813 -2.592 -9.232 1.00 0.00 C ATOM 1153 NE ARG A 79 2.481 -2.934 -9.722 1.00 0.00 N ATOM 1154 CZ ARG A 79 2.204 -3.189 -11.000 1.00 0.00 C ATOM 1155 NH1 ARG A 79 3.162 -3.139 -11.917 1.00 0.00 N ATOM 1156 NH2 ARG A 79 0.964 -3.493 -11.361 1.00 0.00 N ATOM 0 H ARG A 79 5.685 -1.859 -5.589 1.00 0.00 H new ATOM 0 HA ARG A 79 5.654 -0.398 -8.117 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.396 -1.102 -6.208 1.00 0.00 H new ATOM 0 HB3 ARG A 79 3.228 -0.510 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 79 4.769 -3.052 -7.366 1.00 0.00 H new ATOM 0 HG3 ARG A 79 3.018 -3.092 -7.301 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.109 -1.623 -9.634 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.533 -3.323 -9.599 1.00 0.00 H new ATOM 0 HE ARG A 79 1.718 -2.980 -9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.117 -2.904 -11.645 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.944 -3.335 -12.894 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.224 -3.531 -10.660 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.751 -3.688 -12.339 1.00 0.00 H new ATOM 1170 N VAL A 80 5.670 1.070 -5.278 1.00 0.00 N ATOM 1171 CA VAL A 80 5.633 2.366 -4.608 1.00 0.00 C ATOM 1172 C VAL A 80 7.032 2.822 -4.207 1.00 0.00 C ATOM 1173 O VAL A 80 7.758 2.107 -3.517 1.00 0.00 O ATOM 1174 CB VAL A 80 4.734 2.339 -3.359 1.00 0.00 C ATOM 1175 CG1 VAL A 80 3.267 2.318 -3.758 1.00 0.00 C ATOM 1176 CG2 VAL A 80 5.072 1.147 -2.478 1.00 0.00 C ATOM 0 H VAL A 80 6.116 0.325 -4.742 1.00 0.00 H new ATOM 0 HA VAL A 80 5.215 3.073 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 80 4.918 3.246 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.646 2.299 -2.862 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.036 3.210 -4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.066 1.430 -4.358 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.425 1.148 -1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.921 0.225 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.113 1.213 -2.161 1.00 0.00 H new ATOM 1186 N THR A 81 7.404 4.021 -4.645 1.00 0.00 N ATOM 1187 CA THR A 81 8.717 4.576 -4.334 1.00 0.00 C ATOM 1188 C THR A 81 8.846 4.872 -2.844 1.00 0.00 C ATOM 1189 O THR A 81 7.991 5.533 -2.255 1.00 0.00 O ATOM 1190 CB THR A 81 8.958 5.851 -5.142 1.00 0.00 C ATOM 1191 OG1 THR A 81 8.275 5.796 -6.382 1.00 0.00 O ATOM 1192 CG2 THR A 81 10.421 6.107 -5.435 1.00 0.00 C ATOM 0 H THR A 81 6.815 4.627 -5.216 1.00 0.00 H new ATOM 0 HA THR A 81 9.469 3.835 -4.604 1.00 0.00 H new ATOM 0 HB THR A 81 8.581 6.662 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 81 7.387 6.199 -6.284 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.521 7.027 -6.011 1.00 0.00 H new ATOM 0 HG22 THR A 81 10.968 6.205 -4.497 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.829 5.274 -6.008 1.00 0.00 H new