USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 536 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 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 34 HIS : no HE2:sc= -4.69! C(o=-2.9!,f=-9!) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -141:sc= 1.83 (180deg=0.237) USER MOD Single : A 16 THR OG1 : rot -120:sc= -1.27 USER MOD Single : A 18 MET CE :methyl -116:sc= -0.0868 (180deg=-0.488) USER MOD Single : A 24 ASN : amide:sc= -0.0313 X(o=-0.031,f=-0.14) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -1.89 K(o=-1.9,f=-3!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.25) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 37 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= -0.272 (180deg=-1.31!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -4.11 K(o=-4.1,f=-5.8!) 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 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 163:sc=-0.000755 (180deg=-0.168) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0312 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -2.239 -3.532 -8.245 1.00 0.00 N ATOM 184 CA GLY A 13 -0.921 -4.207 -8.438 1.00 0.00 C ATOM 185 C GLY A 13 0.208 -3.174 -8.582 1.00 0.00 C ATOM 186 O GLY A 13 1.366 -3.536 -8.675 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.715 -4.861 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.958 -4.838 -9.326 1.00 0.00 H new ATOM 190 N GLY A 14 -0.109 -1.898 -8.599 1.00 0.00 N ATOM 191 CA GLY A 14 0.959 -0.865 -8.734 1.00 0.00 C ATOM 192 C GLY A 14 1.415 -0.431 -7.344 1.00 0.00 C ATOM 193 O GLY A 14 2.582 -0.183 -7.108 1.00 0.00 O ATOM 0 H GLY A 14 -1.059 -1.533 -8.525 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.801 -1.267 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.583 -0.007 -9.291 1.00 0.00 H new ATOM 197 N ILE A 15 0.489 -0.332 -6.429 1.00 0.00 N ATOM 198 CA ILE A 15 0.835 0.097 -5.046 1.00 0.00 C ATOM 199 C ILE A 15 1.437 -1.078 -4.276 1.00 0.00 C ATOM 200 O ILE A 15 2.472 -0.954 -3.650 1.00 0.00 O ATOM 201 CB ILE A 15 -0.426 0.573 -4.322 1.00 0.00 C ATOM 202 CG1 ILE A 15 -1.217 1.541 -5.217 1.00 0.00 C ATOM 203 CG2 ILE A 15 -0.023 1.283 -3.036 1.00 0.00 C ATOM 204 CD1 ILE A 15 -2.420 0.812 -5.822 1.00 0.00 C ATOM 0 H ILE A 15 -0.499 -0.532 -6.583 1.00 0.00 H new ATOM 0 HA ILE A 15 1.558 0.911 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.055 -0.287 -4.091 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.554 2.399 -4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.576 1.926 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.917 1.625 -2.514 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.529 0.593 -2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.608 2.139 -3.275 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.980 1.499 -6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.072 -0.031 -6.419 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.065 0.449 -5.022 1.00 0.00 H new ATOM 216 N THR A 16 0.788 -2.217 -4.308 1.00 0.00 N ATOM 217 CA THR A 16 1.313 -3.405 -3.570 1.00 0.00 C ATOM 218 C THR A 16 2.725 -3.742 -4.063 1.00 0.00 C ATOM 219 O THR A 16 3.567 -4.188 -3.308 1.00 0.00 O ATOM 220 CB THR A 16 0.390 -4.605 -3.800 1.00 0.00 C ATOM 221 OG1 THR A 16 0.938 -5.750 -3.161 1.00 0.00 O ATOM 222 CG2 THR A 16 0.253 -4.873 -5.299 1.00 0.00 C ATOM 0 H THR A 16 -0.083 -2.374 -4.814 1.00 0.00 H new ATOM 0 HA THR A 16 1.350 -3.175 -2.505 1.00 0.00 H new ATOM 0 HB THR A 16 -0.594 -4.389 -3.383 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.106 -6.448 -3.828 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.405 -5.728 -5.457 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.169 -3.995 -5.789 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.235 -5.087 -5.721 1.00 0.00 H new ATOM 230 N ASP A 17 2.984 -3.523 -5.328 1.00 0.00 N ATOM 231 CA ASP A 17 4.337 -3.820 -5.882 1.00 0.00 C ATOM 232 C ASP A 17 5.364 -2.906 -5.215 1.00 0.00 C ATOM 233 O ASP A 17 6.464 -3.323 -4.896 1.00 0.00 O ATOM 234 CB ASP A 17 4.336 -3.571 -7.392 1.00 0.00 C ATOM 235 CG ASP A 17 5.657 -4.057 -7.991 1.00 0.00 C ATOM 236 OD1 ASP A 17 6.592 -3.274 -8.026 1.00 0.00 O ATOM 237 OD2 ASP A 17 5.712 -5.203 -8.405 1.00 0.00 O ATOM 0 H ASP A 17 2.314 -3.150 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 17 4.593 -4.862 -5.688 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.500 -4.093 -7.857 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.201 -2.509 -7.596 1.00 0.00 H new ATOM 242 N MET A 18 5.011 -1.664 -4.995 1.00 0.00 N ATOM 243 CA MET A 18 5.961 -0.717 -4.340 1.00 0.00 C ATOM 244 C MET A 18 5.881 -0.864 -2.815 1.00 0.00 C ATOM 245 O MET A 18 6.768 -0.430 -2.101 1.00 0.00 O ATOM 246 CB MET A 18 5.604 0.718 -4.734 1.00 0.00 C ATOM 247 CG MET A 18 6.378 1.105 -5.999 1.00 0.00 C ATOM 248 SD MET A 18 6.803 2.865 -5.942 1.00 0.00 S ATOM 249 CE MET A 18 8.121 2.740 -4.708 1.00 0.00 C ATOM 0 H MET A 18 4.105 -1.266 -5.241 1.00 0.00 H new ATOM 0 HA MET A 18 6.975 -0.945 -4.668 1.00 0.00 H new ATOM 0 HB2 MET A 18 4.532 0.803 -4.910 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.848 1.402 -3.921 1.00 0.00 H new ATOM 0 HG2 MET A 18 7.284 0.505 -6.080 1.00 0.00 H new ATOM 0 HG3 MET A 18 5.776 0.895 -6.883 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.832 3.287 -3.811 1.00 0.00 H new ATOM 0 HE2 MET A 18 8.286 1.692 -4.457 1.00 0.00 H new ATOM 0 HE3 MET A 18 9.040 3.165 -5.112 1.00 0.00 H new ATOM 259 N LEU A 19 4.841 -1.488 -2.308 1.00 0.00 N ATOM 260 CA LEU A 19 4.719 -1.673 -0.835 1.00 0.00 C ATOM 261 C LEU A 19 5.573 -2.867 -0.443 1.00 0.00 C ATOM 262 O LEU A 19 6.234 -2.874 0.577 1.00 0.00 O ATOM 263 CB LEU A 19 3.256 -1.950 -0.474 1.00 0.00 C ATOM 264 CG LEU A 19 2.525 -0.628 -0.217 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.106 -0.709 -0.783 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.455 -0.368 1.288 1.00 0.00 C ATOM 0 H LEU A 19 4.073 -1.876 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 19 5.049 -0.778 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.769 -2.494 -1.283 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.204 -2.583 0.412 1.00 0.00 H new ATOM 0 HG LEU A 19 3.065 0.184 -0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.587 0.232 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.152 -0.895 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.566 -1.522 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.935 0.572 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.915 -1.181 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.465 -0.309 1.694 1.00 0.00 H new ATOM 278 N VAL A 20 5.566 -3.871 -1.271 1.00 0.00 N ATOM 279 CA VAL A 20 6.375 -5.083 -1.004 1.00 0.00 C ATOM 280 C VAL A 20 7.855 -4.747 -1.217 1.00 0.00 C ATOM 281 O VAL A 20 8.728 -5.334 -0.606 1.00 0.00 O ATOM 282 CB VAL A 20 5.945 -6.184 -1.976 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.718 -7.462 -1.678 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.447 -6.451 -1.815 1.00 0.00 C ATOM 0 H VAL A 20 5.024 -3.901 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 20 6.226 -5.424 0.020 1.00 0.00 H new ATOM 0 HB VAL A 20 6.153 -5.863 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.409 -8.244 -2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.786 -7.276 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.513 -7.782 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.141 -7.235 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.242 -6.769 -0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.890 -5.539 -2.030 1.00 0.00 H new ATOM 294 N GLU A 21 8.138 -3.806 -2.086 1.00 0.00 N ATOM 295 CA GLU A 21 9.554 -3.424 -2.352 1.00 0.00 C ATOM 296 C GLU A 21 10.180 -2.821 -1.091 1.00 0.00 C ATOM 297 O GLU A 21 11.089 -3.392 -0.512 1.00 0.00 O ATOM 298 CB GLU A 21 9.598 -2.394 -3.484 1.00 0.00 C ATOM 299 CG GLU A 21 9.801 -3.112 -4.820 1.00 0.00 C ATOM 300 CD GLU A 21 9.789 -2.088 -5.956 1.00 0.00 C ATOM 301 OE1 GLU A 21 10.551 -1.139 -5.881 1.00 0.00 O ATOM 302 OE2 GLU A 21 9.017 -2.271 -6.884 1.00 0.00 O ATOM 0 H GLU A 21 7.444 -3.286 -2.623 1.00 0.00 H new ATOM 0 HA GLU A 21 10.116 -4.312 -2.640 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.671 -1.821 -3.504 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.408 -1.685 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.747 -3.653 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.013 -3.849 -4.972 1.00 0.00 H new ATOM 309 N LEU A 22 9.716 -1.669 -0.663 1.00 0.00 N ATOM 310 CA LEU A 22 10.311 -1.040 0.554 1.00 0.00 C ATOM 311 C LEU A 22 10.059 -1.938 1.771 1.00 0.00 C ATOM 312 O LEU A 22 10.875 -2.022 2.670 1.00 0.00 O ATOM 313 CB LEU A 22 9.744 0.389 0.754 1.00 0.00 C ATOM 314 CG LEU A 22 8.395 0.417 1.500 1.00 0.00 C ATOM 315 CD1 LEU A 22 8.116 1.848 1.966 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.270 -0.031 0.569 1.00 0.00 C ATOM 0 H LEU A 22 8.959 -1.144 -1.101 1.00 0.00 H new ATOM 0 HA LEU A 22 11.389 -0.941 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.469 0.985 1.309 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.621 0.862 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 22 8.442 -0.258 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.164 1.879 2.495 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.913 2.175 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 22 8.072 2.510 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.322 -0.007 1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.218 0.640 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.466 -1.046 0.224 1.00 0.00 H new ATOM 328 N ALA A 23 8.937 -2.614 1.798 1.00 0.00 N ATOM 329 CA ALA A 23 8.612 -3.523 2.945 1.00 0.00 C ATOM 330 C ALA A 23 9.783 -4.478 3.199 1.00 0.00 C ATOM 331 O ALA A 23 10.160 -4.724 4.330 1.00 0.00 O ATOM 332 CB ALA A 23 7.356 -4.331 2.613 1.00 0.00 C ATOM 0 H ALA A 23 8.225 -2.576 1.069 1.00 0.00 H new ATOM 0 HA ALA A 23 8.437 -2.926 3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.118 -4.993 3.446 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.522 -3.652 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.532 -4.925 1.716 1.00 0.00 H new ATOM 338 N ASN A 24 10.370 -4.995 2.151 1.00 0.00 N ATOM 339 CA ASN A 24 11.533 -5.910 2.319 1.00 0.00 C ATOM 340 C ASN A 24 12.699 -5.097 2.882 1.00 0.00 C ATOM 341 O ASN A 24 13.446 -5.558 3.724 1.00 0.00 O ATOM 342 CB ASN A 24 11.919 -6.503 0.957 1.00 0.00 C ATOM 343 CG ASN A 24 11.442 -7.956 0.872 1.00 0.00 C ATOM 344 OD1 ASN A 24 11.787 -8.770 1.705 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.659 -8.315 -0.108 1.00 0.00 N ATOM 0 H ASN A 24 10.092 -4.821 1.185 1.00 0.00 H new ATOM 0 HA ASN A 24 11.283 -6.726 2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.472 -5.916 0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 24 13.000 -6.457 0.823 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.336 -9.280 -0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.370 -7.631 -0.807 1.00 0.00 H new ATOM 352 N PHE A 25 12.843 -3.880 2.427 1.00 0.00 N ATOM 353 CA PHE A 25 13.942 -3.001 2.927 1.00 0.00 C ATOM 354 C PHE A 25 13.742 -2.725 4.417 1.00 0.00 C ATOM 355 O PHE A 25 14.686 -2.455 5.134 1.00 0.00 O ATOM 356 CB PHE A 25 13.914 -1.681 2.154 1.00 0.00 C ATOM 357 CG PHE A 25 15.105 -0.838 2.537 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.339 -1.046 1.910 1.00 0.00 C ATOM 359 CD2 PHE A 25 14.976 0.151 3.519 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.445 -0.265 2.265 1.00 0.00 C ATOM 361 CE2 PHE A 25 16.082 0.933 3.875 1.00 0.00 C ATOM 362 CZ PHE A 25 17.317 0.725 3.248 1.00 0.00 C ATOM 0 H PHE A 25 12.240 -3.453 1.723 1.00 0.00 H new ATOM 0 HA PHE A 25 14.903 -3.495 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.925 -1.877 1.082 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.991 -1.142 2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.438 -1.809 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.024 0.311 4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.397 -0.426 1.781 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.983 1.696 4.633 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.170 1.328 3.522 1.00 0.00 H new ATOM 372 N GLU A 26 12.523 -2.787 4.887 1.00 0.00 N ATOM 373 CA GLU A 26 12.261 -2.528 6.331 1.00 0.00 C ATOM 374 C GLU A 26 12.688 -3.745 7.154 1.00 0.00 C ATOM 375 O GLU A 26 13.514 -3.644 8.041 1.00 0.00 O ATOM 376 CB GLU A 26 10.769 -2.264 6.532 1.00 0.00 C ATOM 377 CG GLU A 26 10.495 -0.774 6.336 1.00 0.00 C ATOM 378 CD GLU A 26 10.305 -0.475 4.849 1.00 0.00 C ATOM 379 OE1 GLU A 26 9.326 -0.939 4.292 1.00 0.00 O ATOM 380 OE2 GLU A 26 11.144 0.214 4.292 1.00 0.00 O ATOM 0 H GLU A 26 11.697 -3.006 4.330 1.00 0.00 H new ATOM 0 HA GLU A 26 12.830 -1.658 6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.184 -2.850 5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.463 -2.574 7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.604 -0.482 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.324 -0.187 6.732 1.00 0.00 H new ATOM 387 N LYS A 27 12.130 -4.891 6.863 1.00 0.00 N ATOM 388 CA LYS A 27 12.498 -6.123 7.624 1.00 0.00 C ATOM 389 C LYS A 27 13.962 -6.477 7.347 1.00 0.00 C ATOM 390 O LYS A 27 14.701 -6.833 8.245 1.00 0.00 O ATOM 391 CB LYS A 27 11.600 -7.284 7.187 1.00 0.00 C ATOM 392 CG LYS A 27 11.877 -8.504 8.068 1.00 0.00 C ATOM 393 CD LYS A 27 11.658 -9.782 7.253 1.00 0.00 C ATOM 394 CE LYS A 27 12.010 -11.000 8.110 1.00 0.00 C ATOM 395 NZ LYS A 27 10.887 -11.290 9.045 1.00 0.00 N ATOM 0 H LYS A 27 11.434 -5.028 6.130 1.00 0.00 H new ATOM 0 HA LYS A 27 12.363 -5.943 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.552 -6.996 7.265 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.786 -7.528 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.900 -8.470 8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.218 -8.496 8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.621 -9.843 6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.276 -9.764 6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.199 -11.864 7.473 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.925 -10.811 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.125 -12.118 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.727 -10.467 9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.024 -11.488 8.500 1.00 0.00 H new ATOM 409 N ASN A 28 14.388 -6.375 6.109 1.00 0.00 N ATOM 410 CA ASN A 28 15.810 -6.699 5.769 1.00 0.00 C ATOM 411 C ASN A 28 16.755 -5.822 6.599 1.00 0.00 C ATOM 412 O ASN A 28 17.890 -6.181 6.847 1.00 0.00 O ATOM 413 CB ASN A 28 16.052 -6.440 4.281 1.00 0.00 C ATOM 414 CG ASN A 28 15.348 -7.515 3.452 1.00 0.00 C ATOM 415 OD1 ASN A 28 15.133 -8.616 3.919 1.00 0.00 O ATOM 416 ND2 ASN A 28 14.974 -7.241 2.232 1.00 0.00 N ATOM 0 H ASN A 28 13.812 -6.081 5.320 1.00 0.00 H new ATOM 0 HA ASN A 28 16.002 -7.748 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.678 -5.453 4.008 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.121 -6.446 4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.502 -7.951 1.672 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.154 -6.317 1.839 1.00 0.00 H new ATOM 423 N VAL A 29 16.285 -4.679 7.037 1.00 0.00 N ATOM 424 CA VAL A 29 17.137 -3.778 7.861 1.00 0.00 C ATOM 425 C VAL A 29 16.947 -4.155 9.339 1.00 0.00 C ATOM 426 O VAL A 29 16.029 -4.872 9.689 1.00 0.00 O ATOM 427 CB VAL A 29 16.720 -2.319 7.591 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.382 -1.364 8.593 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.159 -1.932 6.177 1.00 0.00 C ATOM 0 H VAL A 29 15.343 -4.334 6.856 1.00 0.00 H new ATOM 0 HA VAL A 29 18.192 -3.883 7.607 1.00 0.00 H new ATOM 0 HB VAL A 29 15.638 -2.241 7.696 1.00 0.00 H new ATOM 0 HG11 VAL A 29 17.071 -0.341 8.380 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.080 -1.632 9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.466 -1.439 8.506 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.869 -0.901 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.242 -2.027 6.093 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.680 -2.592 5.454 1.00 0.00 H new ATOM 439 N SER A 30 17.822 -3.697 10.195 1.00 0.00 N ATOM 440 CA SER A 30 17.718 -4.048 11.644 1.00 0.00 C ATOM 441 C SER A 30 16.625 -3.225 12.333 1.00 0.00 C ATOM 442 O SER A 30 15.600 -3.751 12.725 1.00 0.00 O ATOM 443 CB SER A 30 19.059 -3.771 12.323 1.00 0.00 C ATOM 444 OG SER A 30 18.966 -4.105 13.701 1.00 0.00 O ATOM 0 H SER A 30 18.607 -3.093 9.953 1.00 0.00 H new ATOM 0 HA SER A 30 17.459 -5.104 11.728 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.847 -4.355 11.848 1.00 0.00 H new ATOM 0 HB3 SER A 30 19.327 -2.721 12.209 1.00 0.00 H new ATOM 0 HG SER A 30 19.825 -3.930 14.139 1.00 0.00 H new ATOM 450 N GLN A 31 16.846 -1.947 12.510 1.00 0.00 N ATOM 451 CA GLN A 31 15.835 -1.094 13.204 1.00 0.00 C ATOM 452 C GLN A 31 14.749 -0.632 12.222 1.00 0.00 C ATOM 453 O GLN A 31 14.580 0.550 11.980 1.00 0.00 O ATOM 454 CB GLN A 31 16.537 0.126 13.809 1.00 0.00 C ATOM 455 CG GLN A 31 17.449 -0.325 14.952 1.00 0.00 C ATOM 456 CD GLN A 31 16.597 -0.735 16.154 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.260 0.086 16.983 1.00 0.00 O ATOM 458 NE2 GLN A 31 16.232 -1.982 16.286 1.00 0.00 N ATOM 0 H GLN A 31 17.686 -1.457 12.203 1.00 0.00 H new ATOM 0 HA GLN A 31 15.360 -1.678 13.992 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.121 0.639 13.045 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.799 0.838 14.178 1.00 0.00 H new ATOM 0 HG2 GLN A 31 18.068 -1.162 14.629 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.126 0.482 15.231 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.514 -2.672 15.590 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.664 -2.265 17.085 1.00 0.00 H new ATOM 467 N ALA A 32 14.000 -1.554 11.668 1.00 0.00 N ATOM 468 CA ALA A 32 12.915 -1.163 10.720 1.00 0.00 C ATOM 469 C ALA A 32 11.785 -2.194 10.774 1.00 0.00 C ATOM 470 O ALA A 32 11.193 -2.531 9.766 1.00 0.00 O ATOM 471 CB ALA A 32 13.473 -1.084 9.300 1.00 0.00 C ATOM 0 H ALA A 32 14.094 -2.556 11.832 1.00 0.00 H new ATOM 0 HA ALA A 32 12.524 -0.187 11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.677 -0.798 8.612 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.269 -0.341 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.871 -2.057 9.011 1.00 0.00 H new ATOM 477 N ILE A 33 11.479 -2.693 11.945 1.00 0.00 N ATOM 478 CA ILE A 33 10.385 -3.701 12.074 1.00 0.00 C ATOM 479 C ILE A 33 9.039 -2.977 12.284 1.00 0.00 C ATOM 480 O ILE A 33 7.991 -3.524 12.002 1.00 0.00 O ATOM 481 CB ILE A 33 10.744 -4.686 13.232 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.796 -6.121 12.687 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.739 -4.636 14.396 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.846 -6.225 11.577 1.00 0.00 C ATOM 0 H ILE A 33 11.942 -2.444 12.819 1.00 0.00 H new ATOM 0 HA ILE A 33 10.281 -4.292 11.164 1.00 0.00 H new ATOM 0 HB ILE A 33 11.714 -4.376 13.620 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.037 -6.815 13.492 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.818 -6.407 12.301 1.00 0.00 H new ATOM 0 HG21 ILE A 33 10.042 -5.342 15.169 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.715 -3.629 14.813 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.747 -4.901 14.031 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.875 -7.246 11.198 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.587 -5.544 10.766 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.825 -5.959 11.976 1.00 0.00 H new ATOM 496 N HIS A 34 9.064 -1.760 12.769 1.00 0.00 N ATOM 497 CA HIS A 34 7.780 -1.011 12.981 1.00 0.00 C ATOM 498 C HIS A 34 7.239 -0.569 11.619 1.00 0.00 C ATOM 499 O HIS A 34 6.099 -0.834 11.278 1.00 0.00 O ATOM 500 CB HIS A 34 7.975 0.220 13.895 1.00 0.00 C ATOM 501 CG HIS A 34 9.304 0.889 13.642 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.461 0.495 14.297 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.677 1.915 12.811 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.463 1.269 13.851 1.00 0.00 C ATOM 505 NE2 HIS A 34 11.042 2.155 12.946 1.00 0.00 N ATOM 0 H HIS A 34 9.911 -1.253 13.027 1.00 0.00 H new ATOM 0 HA HIS A 34 7.071 -1.673 13.478 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.169 0.933 13.724 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.913 -0.087 14.939 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.537 -0.248 14.992 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.013 2.455 12.152 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.487 1.185 14.184 1.00 0.00 H new ATOM 513 N LYS A 35 8.056 0.080 10.826 1.00 0.00 N ATOM 514 CA LYS A 35 7.595 0.513 9.473 1.00 0.00 C ATOM 515 C LYS A 35 7.413 -0.724 8.583 1.00 0.00 C ATOM 516 O LYS A 35 6.708 -0.684 7.592 1.00 0.00 O ATOM 517 CB LYS A 35 8.615 1.471 8.840 1.00 0.00 C ATOM 518 CG LYS A 35 10.037 0.907 8.969 1.00 0.00 C ATOM 519 CD LYS A 35 10.807 1.659 10.064 1.00 0.00 C ATOM 520 CE LYS A 35 12.160 2.131 9.520 1.00 0.00 C ATOM 521 NZ LYS A 35 13.085 2.403 10.656 1.00 0.00 N ATOM 0 H LYS A 35 9.018 0.327 11.057 1.00 0.00 H new ATOM 0 HA LYS A 35 6.645 1.038 9.569 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.373 1.626 7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.558 2.445 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.995 -0.156 9.208 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.560 0.999 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.225 2.514 10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.958 1.009 10.926 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.586 1.371 8.865 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.029 3.032 8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.650 3.251 10.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.533 2.559 11.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.718 1.589 10.791 1.00 0.00 H new ATOM 535 N TYR A 36 8.029 -1.832 8.937 1.00 0.00 N ATOM 536 CA TYR A 36 7.882 -3.082 8.132 1.00 0.00 C ATOM 537 C TYR A 36 6.399 -3.471 8.084 1.00 0.00 C ATOM 538 O TYR A 36 5.817 -3.612 7.026 1.00 0.00 O ATOM 539 CB TYR A 36 8.706 -4.197 8.799 1.00 0.00 C ATOM 540 CG TYR A 36 8.507 -5.519 8.084 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.595 -5.589 6.689 1.00 0.00 C ATOM 542 CD2 TYR A 36 8.238 -6.674 8.827 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.412 -6.814 6.037 1.00 0.00 C ATOM 544 CE2 TYR A 36 8.055 -7.898 8.177 1.00 0.00 C ATOM 545 CZ TYR A 36 8.141 -7.969 6.781 1.00 0.00 C ATOM 546 OH TYR A 36 7.961 -9.177 6.139 1.00 0.00 O ATOM 0 H TYR A 36 8.631 -1.919 9.756 1.00 0.00 H new ATOM 0 HA TYR A 36 8.242 -2.929 7.115 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.763 -3.929 8.789 1.00 0.00 H new ATOM 0 HB3 TYR A 36 8.412 -4.296 9.844 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.804 -4.698 6.116 1.00 0.00 H new ATOM 0 HD2 TYR A 36 8.172 -6.620 9.904 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.480 -6.868 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.847 -8.789 8.751 1.00 0.00 H new ATOM 0 HH TYR A 36 7.783 -9.876 6.802 1.00 0.00 H new ATOM 556 N ASN A 37 5.785 -3.635 9.231 1.00 0.00 N ATOM 557 CA ASN A 37 4.338 -4.002 9.273 1.00 0.00 C ATOM 558 C ASN A 37 3.517 -2.928 8.552 1.00 0.00 C ATOM 559 O ASN A 37 2.453 -3.196 8.028 1.00 0.00 O ATOM 560 CB ASN A 37 3.880 -4.101 10.730 1.00 0.00 C ATOM 561 CG ASN A 37 4.214 -5.489 11.278 1.00 0.00 C ATOM 562 OD1 ASN A 37 4.255 -6.453 10.540 1.00 0.00 O ATOM 563 ND2 ASN A 37 4.457 -5.634 12.552 1.00 0.00 N ATOM 0 H ASN A 37 6.228 -3.529 10.144 1.00 0.00 H new ATOM 0 HA ASN A 37 4.192 -4.963 8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.371 -3.334 11.329 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.807 -3.920 10.798 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.681 -6.556 12.927 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.423 -4.825 13.173 1.00 0.00 H new ATOM 570 N ALA A 38 4.013 -1.712 8.514 1.00 0.00 N ATOM 571 CA ALA A 38 3.279 -0.611 7.819 1.00 0.00 C ATOM 572 C ALA A 38 3.042 -0.989 6.353 1.00 0.00 C ATOM 573 O ALA A 38 1.921 -1.194 5.924 1.00 0.00 O ATOM 574 CB ALA A 38 4.124 0.667 7.879 1.00 0.00 C ATOM 0 H ALA A 38 4.899 -1.437 8.937 1.00 0.00 H new ATOM 0 HA ALA A 38 2.319 -0.449 8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.596 1.476 7.374 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.297 0.940 8.920 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.080 0.494 7.386 1.00 0.00 H new ATOM 580 N TYR A 39 4.094 -1.071 5.584 1.00 0.00 N ATOM 581 CA TYR A 39 3.954 -1.416 4.137 1.00 0.00 C ATOM 582 C TYR A 39 3.666 -2.912 3.987 1.00 0.00 C ATOM 583 O TYR A 39 3.026 -3.333 3.043 1.00 0.00 O ATOM 584 CB TYR A 39 5.251 -1.062 3.394 1.00 0.00 C ATOM 585 CG TYR A 39 5.732 0.308 3.830 1.00 0.00 C ATOM 586 CD1 TYR A 39 5.100 1.461 3.351 1.00 0.00 C ATOM 587 CD2 TYR A 39 6.804 0.417 4.722 1.00 0.00 C ATOM 588 CE1 TYR A 39 5.539 2.725 3.766 1.00 0.00 C ATOM 589 CE2 TYR A 39 7.246 1.679 5.136 1.00 0.00 C ATOM 590 CZ TYR A 39 6.613 2.834 4.657 1.00 0.00 C ATOM 591 OH TYR A 39 7.049 4.078 5.066 1.00 0.00 O ATOM 0 H TYR A 39 5.052 -0.913 5.897 1.00 0.00 H new ATOM 0 HA TYR A 39 3.127 -0.847 3.711 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.016 -1.810 3.602 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.079 -1.072 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.273 1.376 2.661 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.291 -0.473 5.092 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.049 3.615 3.399 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.074 1.763 5.824 1.00 0.00 H new ATOM 0 HH TYR A 39 7.802 3.974 5.685 1.00 0.00 H new ATOM 601 N ARG A 40 4.131 -3.715 4.911 1.00 0.00 N ATOM 602 CA ARG A 40 3.881 -5.185 4.826 1.00 0.00 C ATOM 603 C ARG A 40 2.377 -5.447 4.926 1.00 0.00 C ATOM 604 O ARG A 40 1.797 -6.116 4.089 1.00 0.00 O ATOM 605 CB ARG A 40 4.602 -5.894 5.973 1.00 0.00 C ATOM 606 CG ARG A 40 4.508 -7.409 5.777 1.00 0.00 C ATOM 607 CD ARG A 40 5.397 -7.829 4.604 1.00 0.00 C ATOM 608 NE ARG A 40 5.563 -9.315 4.612 1.00 0.00 N ATOM 609 CZ ARG A 40 6.282 -9.933 3.695 1.00 0.00 C ATOM 610 NH1 ARG A 40 6.885 -9.272 2.733 1.00 0.00 N ATOM 611 NH2 ARG A 40 6.397 -11.232 3.744 1.00 0.00 N ATOM 0 H ARG A 40 4.673 -3.415 5.721 1.00 0.00 H new ATOM 0 HA ARG A 40 4.256 -5.565 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.647 -5.585 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 40 4.156 -5.612 6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.820 -7.924 6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.475 -7.698 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 40 4.952 -7.507 3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 40 6.370 -7.343 4.679 1.00 0.00 H new ATOM 0 HE ARG A 40 5.110 -9.863 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.803 -8.257 2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 40 7.435 -9.774 2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.934 -11.757 4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 40 6.950 -11.722 3.041 1.00 0.00 H new ATOM 625 N LYS A 41 1.741 -4.922 5.943 1.00 0.00 N ATOM 626 CA LYS A 41 0.272 -5.130 6.106 1.00 0.00 C ATOM 627 C LYS A 41 -0.462 -4.514 4.915 1.00 0.00 C ATOM 628 O LYS A 41 -1.419 -5.070 4.409 1.00 0.00 O ATOM 629 CB LYS A 41 -0.200 -4.461 7.399 1.00 0.00 C ATOM 630 CG LYS A 41 0.144 -5.354 8.592 1.00 0.00 C ATOM 631 CD LYS A 41 -0.907 -5.168 9.689 1.00 0.00 C ATOM 632 CE LYS A 41 -2.201 -5.875 9.281 1.00 0.00 C ATOM 633 NZ LYS A 41 -2.143 -7.303 9.702 1.00 0.00 N ATOM 0 H LYS A 41 2.179 -4.356 6.670 1.00 0.00 H new ATOM 0 HA LYS A 41 0.059 -6.198 6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.276 -3.487 7.511 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.275 -4.288 7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.179 -6.398 8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.133 -5.102 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.540 -5.574 10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.095 -4.107 9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.057 -5.383 9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.339 -5.809 8.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.023 -7.783 9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.335 -7.768 9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.031 -7.356 10.735 1.00 0.00 H new ATOM 647 N ALA A 42 -0.015 -3.369 4.461 1.00 0.00 N ATOM 648 CA ALA A 42 -0.676 -2.711 3.298 1.00 0.00 C ATOM 649 C ALA A 42 -0.495 -3.587 2.058 1.00 0.00 C ATOM 650 O ALA A 42 -1.396 -3.736 1.255 1.00 0.00 O ATOM 651 CB ALA A 42 -0.045 -1.339 3.057 1.00 0.00 C ATOM 0 H ALA A 42 0.781 -2.863 4.848 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.739 -2.583 3.504 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.530 -0.860 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.173 -0.719 3.944 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.018 -1.459 2.848 1.00 0.00 H new ATOM 657 N ALA A 43 0.664 -4.175 1.901 1.00 0.00 N ATOM 658 CA ALA A 43 0.914 -5.053 0.718 1.00 0.00 C ATOM 659 C ALA A 43 -0.084 -6.217 0.718 1.00 0.00 C ATOM 660 O ALA A 43 -0.401 -6.772 -0.316 1.00 0.00 O ATOM 661 CB ALA A 43 2.339 -5.604 0.783 1.00 0.00 C ATOM 0 H ALA A 43 1.451 -4.084 2.544 1.00 0.00 H new ATOM 0 HA ALA A 43 0.790 -4.471 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.521 -6.244 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.049 -4.777 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.464 -6.184 1.698 1.00 0.00 H new ATOM 667 N SER A 44 -0.578 -6.589 1.874 1.00 0.00 N ATOM 668 CA SER A 44 -1.555 -7.717 1.949 1.00 0.00 C ATOM 669 C SER A 44 -2.964 -7.205 1.636 1.00 0.00 C ATOM 670 O SER A 44 -3.645 -7.731 0.778 1.00 0.00 O ATOM 671 CB SER A 44 -1.533 -8.318 3.355 1.00 0.00 C ATOM 672 OG SER A 44 -0.349 -9.086 3.520 1.00 0.00 O ATOM 0 H SER A 44 -0.346 -6.159 2.769 1.00 0.00 H new ATOM 0 HA SER A 44 -1.279 -8.480 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.573 -7.525 4.102 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.411 -8.945 3.508 1.00 0.00 H new ATOM 0 HG SER A 44 -0.332 -9.471 4.421 1.00 0.00 H new ATOM 678 N VAL A 45 -3.405 -6.186 2.330 1.00 0.00 N ATOM 679 CA VAL A 45 -4.774 -5.637 2.083 1.00 0.00 C ATOM 680 C VAL A 45 -4.860 -5.075 0.656 1.00 0.00 C ATOM 681 O VAL A 45 -5.838 -5.278 -0.038 1.00 0.00 O ATOM 682 CB VAL A 45 -5.069 -4.532 3.112 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.030 -3.413 2.988 1.00 0.00 C ATOM 684 CG2 VAL A 45 -6.476 -3.955 2.886 1.00 0.00 C ATOM 0 H VAL A 45 -2.875 -5.709 3.059 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.513 -6.431 2.188 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.019 -4.964 4.112 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.245 -2.634 3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.035 -3.818 3.172 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.070 -2.989 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.671 -3.174 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.539 -3.533 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.216 -4.748 2.994 1.00 0.00 H new ATOM 694 N ILE A 46 -3.845 -4.373 0.218 1.00 0.00 N ATOM 695 CA ILE A 46 -3.864 -3.798 -1.160 1.00 0.00 C ATOM 696 C ILE A 46 -3.770 -4.933 -2.187 1.00 0.00 C ATOM 697 O ILE A 46 -4.382 -4.881 -3.237 1.00 0.00 O ATOM 698 CB ILE A 46 -2.673 -2.840 -1.322 1.00 0.00 C ATOM 699 CG1 ILE A 46 -2.781 -1.702 -0.292 1.00 0.00 C ATOM 700 CG2 ILE A 46 -2.649 -2.253 -2.740 1.00 0.00 C ATOM 701 CD1 ILE A 46 -4.056 -0.878 -0.530 1.00 0.00 C ATOM 0 H ILE A 46 -3.003 -4.173 0.757 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.792 -3.249 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.750 -3.395 -1.156 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.792 -2.116 0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.906 -1.056 -0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.800 -1.577 -2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.557 -3.060 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.573 -1.705 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.115 -0.078 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.029 -0.447 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.929 -1.524 -0.436 1.00 0.00 H new ATOM 713 N ALA A 47 -3.006 -5.953 -1.891 1.00 0.00 N ATOM 714 CA ALA A 47 -2.864 -7.092 -2.847 1.00 0.00 C ATOM 715 C ALA A 47 -4.023 -8.083 -2.671 1.00 0.00 C ATOM 716 O ALA A 47 -4.287 -8.890 -3.543 1.00 0.00 O ATOM 717 CB ALA A 47 -1.540 -7.812 -2.585 1.00 0.00 C ATOM 0 H ALA A 47 -2.473 -6.046 -1.026 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.881 -6.703 -3.865 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.434 -8.644 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.713 -7.115 -2.723 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.528 -8.191 -1.563 1.00 0.00 H new ATOM 723 N LYS A 48 -4.710 -8.039 -1.554 1.00 0.00 N ATOM 724 CA LYS A 48 -5.841 -8.987 -1.330 1.00 0.00 C ATOM 725 C LYS A 48 -7.184 -8.291 -1.587 1.00 0.00 C ATOM 726 O LYS A 48 -8.224 -8.788 -1.195 1.00 0.00 O ATOM 727 CB LYS A 48 -5.801 -9.492 0.113 1.00 0.00 C ATOM 728 CG LYS A 48 -6.551 -10.822 0.210 1.00 0.00 C ATOM 729 CD LYS A 48 -7.030 -11.035 1.649 1.00 0.00 C ATOM 730 CE LYS A 48 -5.834 -11.377 2.539 1.00 0.00 C ATOM 731 NZ LYS A 48 -5.117 -12.557 1.978 1.00 0.00 N ATOM 0 H LYS A 48 -4.534 -7.387 -0.790 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.740 -9.824 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.768 -9.621 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.254 -8.758 0.779 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.402 -10.822 -0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.900 -11.642 -0.093 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.525 -10.136 2.016 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.765 -11.839 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.158 -10.524 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.172 -11.592 3.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.775 -13.157 2.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.766 -13.104 1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.309 -12.234 1.409 1.00 0.00 H new ATOM 745 N TYR A 49 -7.179 -7.152 -2.242 1.00 0.00 N ATOM 746 CA TYR A 49 -8.463 -6.444 -2.519 1.00 0.00 C ATOM 747 C TYR A 49 -8.935 -6.799 -3.944 1.00 0.00 C ATOM 748 O TYR A 49 -8.141 -6.773 -4.863 1.00 0.00 O ATOM 749 CB TYR A 49 -8.243 -4.931 -2.402 1.00 0.00 C ATOM 750 CG TYR A 49 -9.560 -4.226 -2.143 1.00 0.00 C ATOM 751 CD1 TYR A 49 -10.432 -4.693 -1.148 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.906 -3.099 -2.897 1.00 0.00 C ATOM 753 CE1 TYR A 49 -11.646 -4.036 -0.914 1.00 0.00 C ATOM 754 CE2 TYR A 49 -11.120 -2.442 -2.661 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.990 -2.911 -1.671 1.00 0.00 C ATOM 756 OH TYR A 49 -13.186 -2.263 -1.439 1.00 0.00 O ATOM 0 H TYR A 49 -6.342 -6.687 -2.594 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.222 -6.751 -1.799 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.544 -4.720 -1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.793 -4.550 -3.319 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.166 -5.560 -0.562 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.236 -2.735 -3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.317 -4.398 -0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.385 -1.572 -3.244 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.269 -1.501 -2.050 1.00 0.00 H new ATOM 766 N PRO A 50 -10.207 -7.133 -4.104 1.00 0.00 N ATOM 767 CA PRO A 50 -10.796 -7.511 -5.430 1.00 0.00 C ATOM 768 C PRO A 50 -11.270 -6.283 -6.212 1.00 0.00 C ATOM 769 O PRO A 50 -12.020 -6.409 -7.162 1.00 0.00 O ATOM 770 CB PRO A 50 -11.989 -8.377 -5.050 1.00 0.00 C ATOM 771 CG PRO A 50 -12.400 -7.991 -3.640 1.00 0.00 C ATOM 772 CD PRO A 50 -11.254 -7.190 -3.019 1.00 0.00 C ATOM 0 HA PRO A 50 -10.073 -8.012 -6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.813 -8.222 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.727 -9.434 -5.098 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.314 -7.398 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.609 -8.881 -3.046 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.579 -6.191 -2.727 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.870 -7.675 -2.121 1.00 0.00 H new ATOM 780 N HIS A 51 -10.862 -5.098 -5.824 1.00 0.00 N ATOM 781 CA HIS A 51 -11.324 -3.879 -6.558 1.00 0.00 C ATOM 782 C HIS A 51 -10.235 -2.806 -6.522 1.00 0.00 C ATOM 783 O HIS A 51 -9.211 -2.968 -5.886 1.00 0.00 O ATOM 784 CB HIS A 51 -12.606 -3.342 -5.904 1.00 0.00 C ATOM 785 CG HIS A 51 -13.578 -4.476 -5.699 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.260 -5.067 -6.752 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.961 -5.164 -4.574 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.004 -6.066 -6.243 1.00 0.00 C ATOM 789 NE2 HIS A 51 -14.860 -6.167 -4.920 1.00 0.00 N ATOM 0 H HIS A 51 -10.235 -4.924 -5.038 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.530 -4.140 -7.596 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.371 -2.873 -4.949 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.054 -2.574 -6.534 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.616 -4.957 -3.572 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -15.641 -6.708 -6.834 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.312 -6.836 -4.297 1.00 0.00 H new ATOM 797 N LYS A 52 -10.450 -1.712 -7.209 1.00 0.00 N ATOM 798 CA LYS A 52 -9.434 -0.621 -7.231 1.00 0.00 C ATOM 799 C LYS A 52 -9.776 0.419 -6.160 1.00 0.00 C ATOM 800 O LYS A 52 -10.900 0.503 -5.702 1.00 0.00 O ATOM 801 CB LYS A 52 -9.436 0.046 -8.610 1.00 0.00 C ATOM 802 CG LYS A 52 -8.008 0.456 -8.989 1.00 0.00 C ATOM 803 CD LYS A 52 -7.806 1.951 -8.711 1.00 0.00 C ATOM 804 CE LYS A 52 -6.989 2.580 -9.843 1.00 0.00 C ATOM 805 NZ LYS A 52 -5.559 2.191 -9.700 1.00 0.00 N ATOM 0 H LYS A 52 -11.290 -1.529 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.447 -1.038 -7.028 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.837 -0.640 -9.356 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.085 0.921 -8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.288 -0.130 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.827 0.245 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.772 2.449 -8.626 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.292 2.088 -7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.372 2.250 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.086 3.665 -9.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.004 2.618 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.198 2.527 -8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.475 1.155 -9.747 1.00 0.00 H new ATOM 819 N ILE A 53 -8.812 1.210 -5.762 1.00 0.00 N ATOM 820 CA ILE A 53 -9.069 2.249 -4.723 1.00 0.00 C ATOM 821 C ILE A 53 -9.307 3.597 -5.408 1.00 0.00 C ATOM 822 O ILE A 53 -8.615 3.957 -6.342 1.00 0.00 O ATOM 823 CB ILE A 53 -7.857 2.349 -3.790 1.00 0.00 C ATOM 824 CG1 ILE A 53 -7.554 0.970 -3.193 1.00 0.00 C ATOM 825 CG2 ILE A 53 -8.160 3.333 -2.658 1.00 0.00 C ATOM 826 CD1 ILE A 53 -6.043 0.808 -3.023 1.00 0.00 C ATOM 0 H ILE A 53 -7.855 1.180 -6.114 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.949 1.977 -4.140 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.995 2.700 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.053 0.862 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -7.943 0.187 -3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.297 3.403 -1.996 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.375 4.316 -3.078 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -9.024 2.983 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.828 -0.173 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.556 0.898 -3.994 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.667 1.583 -2.355 1.00 0.00 H new ATOM 838 N LYS A 54 -10.283 4.340 -4.952 1.00 0.00 N ATOM 839 CA LYS A 54 -10.576 5.665 -5.574 1.00 0.00 C ATOM 840 C LYS A 54 -9.692 6.740 -4.936 1.00 0.00 C ATOM 841 O LYS A 54 -9.077 7.534 -5.622 1.00 0.00 O ATOM 842 CB LYS A 54 -12.049 6.017 -5.354 1.00 0.00 C ATOM 843 CG LYS A 54 -12.869 5.566 -6.564 1.00 0.00 C ATOM 844 CD LYS A 54 -14.298 5.244 -6.122 1.00 0.00 C ATOM 845 CE LYS A 54 -14.963 4.339 -7.161 1.00 0.00 C ATOM 846 NZ LYS A 54 -15.915 3.416 -6.479 1.00 0.00 N ATOM 0 H LYS A 54 -10.891 4.085 -4.174 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.369 5.616 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.418 5.532 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.159 7.091 -5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.879 6.349 -7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.412 4.688 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.287 4.752 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.870 6.164 -6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -15.491 4.942 -7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.207 3.767 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.367 2.800 -7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.399 2.832 -5.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.643 3.971 -5.986 1.00 0.00 H new ATOM 860 N SER A 55 -9.628 6.769 -3.628 1.00 0.00 N ATOM 861 CA SER A 55 -8.788 7.792 -2.939 1.00 0.00 C ATOM 862 C SER A 55 -8.009 7.135 -1.799 1.00 0.00 C ATOM 863 O SER A 55 -8.129 5.948 -1.558 1.00 0.00 O ATOM 864 CB SER A 55 -9.686 8.893 -2.374 1.00 0.00 C ATOM 865 OG SER A 55 -10.897 8.315 -1.904 1.00 0.00 O ATOM 0 H SER A 55 -10.122 6.127 -3.008 1.00 0.00 H new ATOM 0 HA SER A 55 -8.087 8.224 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.178 9.412 -1.561 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.898 9.636 -3.143 1.00 0.00 H new ATOM 0 HG SER A 55 -11.475 9.018 -1.539 1.00 0.00 H new ATOM 871 N GLY A 56 -7.214 7.900 -1.097 1.00 0.00 N ATOM 872 CA GLY A 56 -6.421 7.333 0.033 1.00 0.00 C ATOM 873 C GLY A 56 -7.367 6.880 1.146 1.00 0.00 C ATOM 874 O GLY A 56 -7.087 5.937 1.864 1.00 0.00 O ATOM 0 H GLY A 56 -7.080 8.898 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.823 6.491 -0.315 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.726 8.081 0.414 1.00 0.00 H new ATOM 878 N ALA A 57 -8.486 7.544 1.293 1.00 0.00 N ATOM 879 CA ALA A 57 -9.460 7.158 2.358 1.00 0.00 C ATOM 880 C ALA A 57 -9.958 5.734 2.100 1.00 0.00 C ATOM 881 O ALA A 57 -10.269 5.000 3.019 1.00 0.00 O ATOM 882 CB ALA A 57 -10.646 8.124 2.340 1.00 0.00 C ATOM 0 H ALA A 57 -8.767 8.339 0.719 1.00 0.00 H new ATOM 0 HA ALA A 57 -8.971 7.202 3.331 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.357 7.842 3.117 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.292 9.139 2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.136 8.081 1.367 1.00 0.00 H new ATOM 888 N GLU A 58 -10.029 5.341 0.854 1.00 0.00 N ATOM 889 CA GLU A 58 -10.500 3.965 0.522 1.00 0.00 C ATOM 890 C GLU A 58 -9.447 2.935 0.952 1.00 0.00 C ATOM 891 O GLU A 58 -9.754 1.774 1.142 1.00 0.00 O ATOM 892 CB GLU A 58 -10.732 3.856 -0.987 1.00 0.00 C ATOM 893 CG GLU A 58 -12.201 4.151 -1.301 1.00 0.00 C ATOM 894 CD GLU A 58 -12.648 3.304 -2.494 1.00 0.00 C ATOM 895 OE1 GLU A 58 -12.268 2.146 -2.549 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.361 3.828 -3.333 1.00 0.00 O ATOM 0 H GLU A 58 -9.780 5.917 0.050 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.432 3.768 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.088 4.558 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.468 2.857 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.821 3.930 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.331 5.210 -1.524 1.00 0.00 H new ATOM 903 N ALA A 59 -8.212 3.349 1.105 1.00 0.00 N ATOM 904 CA ALA A 59 -7.144 2.393 1.521 1.00 0.00 C ATOM 905 C ALA A 59 -7.198 2.184 3.038 1.00 0.00 C ATOM 906 O ALA A 59 -6.892 1.118 3.535 1.00 0.00 O ATOM 907 CB ALA A 59 -5.776 2.960 1.136 1.00 0.00 C ATOM 0 H ALA A 59 -7.900 4.309 0.959 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.300 1.438 1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.995 2.263 1.439 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.733 3.106 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.624 3.916 1.638 1.00 0.00 H new ATOM 913 N LYS A 60 -7.577 3.199 3.773 1.00 0.00 N ATOM 914 CA LYS A 60 -7.643 3.072 5.261 1.00 0.00 C ATOM 915 C LYS A 60 -8.863 2.238 5.665 1.00 0.00 C ATOM 916 O LYS A 60 -8.802 1.448 6.588 1.00 0.00 O ATOM 917 CB LYS A 60 -7.752 4.466 5.884 1.00 0.00 C ATOM 918 CG LYS A 60 -7.434 4.383 7.378 1.00 0.00 C ATOM 919 CD LYS A 60 -7.831 5.695 8.058 1.00 0.00 C ATOM 920 CE LYS A 60 -9.349 5.733 8.246 1.00 0.00 C ATOM 921 NZ LYS A 60 -9.729 4.859 9.391 1.00 0.00 N ATOM 0 H LYS A 60 -7.844 4.112 3.406 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.740 2.577 5.617 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.062 5.151 5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.756 4.865 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.972 3.550 7.829 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.371 4.192 7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.332 5.782 9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.507 6.543 7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.678 6.756 8.430 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.847 5.397 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.692 5.096 9.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.698 3.863 9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.063 5.006 10.176 1.00 0.00 H new ATOM 935 N LYS A 61 -9.970 2.414 4.989 1.00 0.00 N ATOM 936 CA LYS A 61 -11.201 1.641 5.337 1.00 0.00 C ATOM 937 C LYS A 61 -10.939 0.138 5.198 1.00 0.00 C ATOM 938 O LYS A 61 -11.578 -0.672 5.845 1.00 0.00 O ATOM 939 CB LYS A 61 -12.338 2.042 4.392 1.00 0.00 C ATOM 940 CG LYS A 61 -11.895 1.839 2.942 1.00 0.00 C ATOM 941 CD LYS A 61 -13.116 1.872 2.020 1.00 0.00 C ATOM 942 CE LYS A 61 -13.588 0.442 1.743 1.00 0.00 C ATOM 943 NZ LYS A 61 -15.019 0.463 1.329 1.00 0.00 N ATOM 0 H LYS A 61 -10.075 3.062 4.208 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.478 1.863 6.368 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.225 1.443 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.611 3.084 4.557 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.189 2.618 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.376 0.886 2.840 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.918 2.448 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.864 2.371 1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.978 -0.008 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.465 -0.172 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.340 -0.508 1.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.595 0.877 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.123 1.035 0.467 1.00 0.00 H new ATOM 957 N LEU A 62 -10.013 -0.240 4.353 1.00 0.00 N ATOM 958 CA LEU A 62 -9.718 -1.689 4.162 1.00 0.00 C ATOM 959 C LEU A 62 -9.005 -2.234 5.413 1.00 0.00 C ATOM 960 O LEU A 62 -8.278 -1.507 6.064 1.00 0.00 O ATOM 961 CB LEU A 62 -8.818 -1.880 2.937 1.00 0.00 C ATOM 962 CG LEU A 62 -9.423 -1.174 1.720 1.00 0.00 C ATOM 963 CD1 LEU A 62 -8.308 -0.805 0.740 1.00 0.00 C ATOM 964 CD2 LEU A 62 -10.415 -2.109 1.024 1.00 0.00 C ATOM 0 H LEU A 62 -9.449 0.395 3.788 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.652 -2.229 4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.824 -1.481 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.698 -2.943 2.727 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.940 -0.272 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.737 -0.302 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.598 -0.139 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.793 -1.710 0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -10.844 -1.605 0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.897 -3.011 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.211 -2.378 1.719 1.00 0.00 H new ATOM 976 N PRO A 63 -9.227 -3.499 5.724 1.00 0.00 N ATOM 977 CA PRO A 63 -8.610 -4.168 6.913 1.00 0.00 C ATOM 978 C PRO A 63 -7.159 -4.543 6.618 1.00 0.00 C ATOM 979 O PRO A 63 -6.883 -5.469 5.878 1.00 0.00 O ATOM 980 CB PRO A 63 -9.469 -5.407 7.120 1.00 0.00 C ATOM 981 CG PRO A 63 -10.112 -5.732 5.786 1.00 0.00 C ATOM 982 CD PRO A 63 -10.104 -4.453 4.947 1.00 0.00 C ATOM 0 HA PRO A 63 -8.582 -3.531 7.797 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.862 -6.243 7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.229 -5.226 7.880 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.563 -6.526 5.279 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.131 -6.090 5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.706 -4.635 3.949 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.111 -4.054 4.821 1.00 0.00 H new ATOM 990 N GLY A 64 -6.233 -3.819 7.188 1.00 0.00 N ATOM 991 CA GLY A 64 -4.791 -4.108 6.950 1.00 0.00 C ATOM 992 C GLY A 64 -4.026 -2.791 6.800 1.00 0.00 C ATOM 993 O GLY A 64 -2.844 -2.720 7.080 1.00 0.00 O ATOM 0 H GLY A 64 -6.416 -3.034 7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.383 -4.686 7.779 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.674 -4.714 6.051 1.00 0.00 H new ATOM 997 N VAL A 65 -4.690 -1.749 6.359 1.00 0.00 N ATOM 998 CA VAL A 65 -3.999 -0.437 6.191 1.00 0.00 C ATOM 999 C VAL A 65 -4.102 0.362 7.493 1.00 0.00 C ATOM 1000 O VAL A 65 -5.129 0.369 8.146 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.659 0.350 5.058 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.855 1.622 4.783 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.695 -0.511 3.793 1.00 0.00 C ATOM 0 H VAL A 65 -5.679 -1.753 6.109 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.950 -0.609 5.949 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.675 0.617 5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.326 2.183 3.975 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.827 2.236 5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.838 1.355 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.165 0.049 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.678 -0.778 3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.267 -1.418 3.987 1.00 0.00 H new ATOM 1013 N GLY A 66 -3.042 1.031 7.873 1.00 0.00 N ATOM 1014 CA GLY A 66 -3.067 1.830 9.133 1.00 0.00 C ATOM 1015 C GLY A 66 -3.430 3.281 8.813 1.00 0.00 C ATOM 1016 O GLY A 66 -4.184 3.553 7.898 1.00 0.00 O ATOM 0 H GLY A 66 -2.159 1.057 7.363 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.792 1.408 9.829 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.094 1.787 9.622 1.00 0.00 H new ATOM 1020 N THR A 67 -2.897 4.212 9.562 1.00 0.00 N ATOM 1021 CA THR A 67 -3.204 5.651 9.312 1.00 0.00 C ATOM 1022 C THR A 67 -2.053 6.292 8.533 1.00 0.00 C ATOM 1023 O THR A 67 -2.253 7.209 7.760 1.00 0.00 O ATOM 1024 CB THR A 67 -3.382 6.375 10.649 1.00 0.00 C ATOM 1025 OG1 THR A 67 -2.583 5.741 11.638 1.00 0.00 O ATOM 1026 CG2 THR A 67 -4.853 6.324 11.068 1.00 0.00 C ATOM 0 H THR A 67 -2.260 4.036 10.339 1.00 0.00 H new ATOM 0 HA THR A 67 -4.123 5.730 8.731 1.00 0.00 H new ATOM 0 HB THR A 67 -3.073 7.415 10.544 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.694 6.204 12.495 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.978 6.840 12.020 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.465 6.811 10.308 1.00 0.00 H new ATOM 0 HG23 THR A 67 -5.165 5.285 11.174 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.852 5.813 8.734 1.00 0.00 N ATOM 1035 CA LYS A 68 0.320 6.388 8.011 1.00 0.00 C ATOM 1036 C LYS A 68 0.411 5.770 6.615 1.00 0.00 C ATOM 1037 O LYS A 68 0.684 6.448 5.643 1.00 0.00 O ATOM 1038 CB LYS A 68 1.601 6.081 8.790 1.00 0.00 C ATOM 1039 CG LYS A 68 2.630 7.185 8.535 1.00 0.00 C ATOM 1040 CD LYS A 68 2.516 8.250 9.628 1.00 0.00 C ATOM 1041 CE LYS A 68 3.881 8.908 9.844 1.00 0.00 C ATOM 1042 NZ LYS A 68 4.040 9.259 11.285 1.00 0.00 N ATOM 0 H LYS A 68 -0.633 5.046 9.370 1.00 0.00 H new ATOM 0 HA LYS A 68 0.199 7.468 7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.383 6.011 9.856 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.004 5.116 8.483 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.636 6.765 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.463 7.634 7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.779 9.001 9.343 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.167 7.798 10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.677 8.231 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.967 9.804 9.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.967 9.706 11.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 3.288 9.920 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.976 8.396 11.862 1.00 0.00 H new ATOM 1056 N ILE A 69 0.191 4.483 6.511 1.00 0.00 N ATOM 1057 CA ILE A 69 0.268 3.809 5.182 1.00 0.00 C ATOM 1058 C ILE A 69 -0.940 4.205 4.331 1.00 0.00 C ATOM 1059 O ILE A 69 -0.821 4.426 3.140 1.00 0.00 O ATOM 1060 CB ILE A 69 0.274 2.294 5.388 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.409 1.918 6.352 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.471 1.586 4.042 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.772 2.292 5.753 1.00 0.00 C ATOM 0 H ILE A 69 -0.039 3.870 7.293 1.00 0.00 H new ATOM 0 HA ILE A 69 1.181 4.115 4.671 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.679 1.980 5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.271 2.431 7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.378 0.848 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.474 0.507 4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.342 1.854 3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.421 1.893 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.564 2.018 6.451 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.915 1.758 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.806 3.366 5.569 1.00 0.00 H new ATOM 1075 N ALA A 70 -2.100 4.293 4.930 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.326 4.669 4.158 1.00 0.00 C ATOM 1077 C ALA A 70 -3.123 6.037 3.496 1.00 0.00 C ATOM 1078 O ALA A 70 -3.319 6.192 2.305 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.529 4.730 5.103 1.00 0.00 C ATOM 0 H ALA A 70 -2.253 4.120 5.924 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.508 3.920 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.421 5.004 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.678 3.755 5.566 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.346 5.475 5.877 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.726 7.028 4.259 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.501 8.385 3.680 1.00 0.00 C ATOM 1087 C GLU A 71 -1.451 8.298 2.568 1.00 0.00 C ATOM 1088 O GLU A 71 -1.495 9.029 1.596 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.016 9.339 4.775 1.00 0.00 C ATOM 1090 CG GLU A 71 -0.763 8.768 5.442 1.00 0.00 C ATOM 1091 CD GLU A 71 -0.194 9.796 6.422 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -0.768 9.950 7.487 1.00 0.00 O ATOM 1093 OE2 GLU A 71 0.807 10.410 6.092 1.00 0.00 O ATOM 0 H GLU A 71 -2.548 6.952 5.261 1.00 0.00 H new ATOM 0 HA GLU A 71 -3.436 8.762 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.798 10.317 4.347 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.801 9.484 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.006 7.845 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -0.018 8.518 4.687 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.514 7.394 2.707 1.00 0.00 N ATOM 1101 CA LYS A 72 0.542 7.232 1.665 1.00 0.00 C ATOM 1102 C LYS A 72 -0.118 6.799 0.355 1.00 0.00 C ATOM 1103 O LYS A 72 0.306 7.178 -0.721 1.00 0.00 O ATOM 1104 CB LYS A 72 1.544 6.166 2.111 1.00 0.00 C ATOM 1105 CG LYS A 72 2.788 6.228 1.223 1.00 0.00 C ATOM 1106 CD LYS A 72 4.002 5.727 2.008 1.00 0.00 C ATOM 1107 CE LYS A 72 5.286 6.167 1.301 1.00 0.00 C ATOM 1108 NZ LYS A 72 6.335 6.463 2.317 1.00 0.00 N ATOM 0 H LYS A 72 -0.436 6.759 3.501 1.00 0.00 H new ATOM 0 HA LYS A 72 1.067 8.177 1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.820 6.326 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.090 5.177 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.642 5.619 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.957 7.251 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.980 6.122 3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.973 4.640 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.629 5.383 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.094 7.051 0.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.208 6.762 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.006 7.225 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.524 5.609 2.880 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.164 6.013 0.443 1.00 0.00 N ATOM 1123 CA ILE A 73 -1.871 5.559 -0.788 1.00 0.00 C ATOM 1124 C ILE A 73 -2.478 6.779 -1.483 1.00 0.00 C ATOM 1125 O ILE A 73 -2.469 6.886 -2.692 1.00 0.00 O ATOM 1126 CB ILE A 73 -2.984 4.573 -0.411 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.398 3.411 0.409 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -3.640 4.026 -1.684 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.328 2.666 -0.400 1.00 0.00 C ATOM 0 H ILE A 73 -1.557 5.667 1.319 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.169 5.061 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.733 5.091 0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.963 3.793 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.193 2.721 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.430 3.326 -1.414 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.065 4.850 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.891 3.513 -2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.925 1.848 0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.773 2.266 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.524 3.354 -0.661 1.00 0.00 H new ATOM 1141 N ASP A 74 -2.996 7.709 -0.717 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.598 8.942 -1.315 1.00 0.00 C ATOM 1143 C ASP A 74 -2.557 9.640 -2.194 1.00 0.00 C ATOM 1144 O ASP A 74 -2.863 10.121 -3.268 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.041 9.889 -0.195 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.333 10.598 -0.606 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.475 10.892 -1.782 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.158 10.834 0.261 1.00 0.00 O ATOM 0 H ASP A 74 -3.028 7.666 0.302 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.462 8.669 -1.921 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.198 9.330 0.727 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.260 10.622 0.006 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.325 9.680 -1.750 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.252 10.325 -2.563 1.00 0.00 C ATOM 1155 C GLU A 75 -0.075 9.531 -3.861 1.00 0.00 C ATOM 1156 O GLU A 75 0.273 10.074 -4.891 1.00 0.00 O ATOM 1157 CB GLU A 75 1.061 10.323 -1.777 1.00 0.00 C ATOM 1158 CG GLU A 75 2.108 11.146 -2.531 1.00 0.00 C ATOM 1159 CD GLU A 75 1.893 12.634 -2.244 1.00 0.00 C ATOM 1160 OE1 GLU A 75 1.096 13.242 -2.939 1.00 0.00 O ATOM 1161 OE2 GLU A 75 2.531 13.138 -1.335 1.00 0.00 O ATOM 0 H GLU A 75 -1.017 9.293 -0.858 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.528 11.355 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.903 10.740 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.415 9.301 -1.642 1.00 0.00 H new ATOM 0 HG2 GLU A 75 3.110 10.847 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.032 10.957 -3.602 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.323 8.246 -3.811 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.187 7.398 -5.030 1.00 0.00 C ATOM 1170 C PHE A 76 -1.271 7.782 -6.035 1.00 0.00 C ATOM 1171 O PHE A 76 -1.000 8.051 -7.190 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.369 5.923 -4.636 1.00 0.00 C ATOM 1173 CG PHE A 76 0.940 5.192 -4.760 1.00 0.00 C ATOM 1174 CD1 PHE A 76 1.842 5.193 -3.693 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.247 4.511 -5.941 1.00 0.00 C ATOM 1176 CE1 PHE A 76 3.058 4.512 -3.807 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.463 3.830 -6.059 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.369 3.829 -4.989 1.00 0.00 C ATOM 0 H PHE A 76 -0.616 7.747 -2.971 1.00 0.00 H new ATOM 0 HA PHE A 76 0.797 7.547 -5.475 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.738 5.854 -3.613 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.118 5.457 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 76 1.600 5.719 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.546 4.511 -6.762 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.757 4.513 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.704 3.306 -6.972 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.307 3.301 -5.077 1.00 0.00 H new ATOM 1188 N LEU A 77 -2.498 7.792 -5.595 1.00 0.00 N ATOM 1189 CA LEU A 77 -3.626 8.134 -6.502 1.00 0.00 C ATOM 1190 C LEU A 77 -3.628 9.638 -6.799 1.00 0.00 C ATOM 1191 O LEU A 77 -4.132 10.072 -7.818 1.00 0.00 O ATOM 1192 CB LEU A 77 -4.948 7.749 -5.823 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.167 6.224 -5.844 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.077 5.685 -7.275 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.112 5.538 -4.975 1.00 0.00 C ATOM 0 H LEU A 77 -2.769 7.575 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.513 7.588 -7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.946 8.104 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.777 8.244 -6.329 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.161 6.013 -5.451 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.234 4.606 -7.268 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.841 6.159 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.092 5.905 -7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.271 4.460 -4.993 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.118 5.765 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.194 5.900 -3.950 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.073 10.437 -5.920 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.048 11.913 -6.150 1.00 0.00 C ATOM 1209 C ALA A 78 -2.269 12.225 -7.435 1.00 0.00 C ATOM 1210 O ALA A 78 -2.851 12.458 -8.477 1.00 0.00 O ATOM 1211 CB ALA A 78 -2.383 12.603 -4.955 1.00 0.00 C ATOM 0 H ALA A 78 -2.636 10.128 -5.052 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.068 12.282 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.364 13.680 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.948 12.386 -4.049 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.363 12.235 -4.844 1.00 0.00 H new ATOM 1217 N THR A 79 -0.960 12.231 -7.366 1.00 0.00 N ATOM 1218 CA THR A 79 -0.143 12.528 -8.578 1.00 0.00 C ATOM 1219 C THR A 79 0.807 11.360 -8.851 1.00 0.00 C ATOM 1220 O THR A 79 0.736 10.721 -9.884 1.00 0.00 O ATOM 1221 CB THR A 79 0.671 13.804 -8.345 1.00 0.00 C ATOM 1222 OG1 THR A 79 -0.194 14.840 -7.900 1.00 0.00 O ATOM 1223 CG2 THR A 79 1.347 14.227 -9.650 1.00 0.00 C ATOM 0 H THR A 79 -0.423 12.042 -6.519 1.00 0.00 H new ATOM 0 HA THR A 79 -0.802 12.669 -9.435 1.00 0.00 H new ATOM 0 HB THR A 79 1.433 13.616 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.325 15.657 -7.749 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.926 15.135 -9.482 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.010 13.432 -9.991 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.587 14.416 -10.409 1.00 0.00 H new