USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 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 63 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 67 SER OG : rot 78:sc= 1.25 USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 1.13 USER MOD Set 2.2: A 61 SER OG : rot 85:sc= 1.15 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl -177:sc= 0 (180deg=-0.00599) USER MOD Single : A 24 SER OG : rot 180:sc= -0.664 USER MOD Single : A 29 THR OG1 : rot 159:sc= 0.682 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -53:sc= 1.21 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -139:sc= 0.00377 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 88:sc= 0.0936 USER MOD Single : A 43 ASN : amide:sc= 0.403 K(o=0.4,f=-0.81) USER MOD Single : A 44 ASN : amide:sc= 0.406 X(o=0.41,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.399 X(o=-0.4,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -1.92 K(o=-1.9,f=-1.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0125) USER MOD Single : A 86 MET CE :methyl -175:sc= -0.263 (180deg=-0.296) USER MOD Single : A 87 GLN : amide:sc= -0.638 K(o=-0.64,f=-2.8!) USER MOD Single : A 91 ASN : amide:sc= -0.0618 X(o=-0.062,f=-0.062) USER MOD Single : A 94 HIS : no HD1:sc= -0.163 X(o=-0.16,f=0) USER MOD Single : A 95 ASN : amide:sc= 0.881 K(o=0.88,f=-5.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 171 N ILE A 17 -6.264 -13.818 -4.824 1.00 0.00 N ATOM 172 CA ILE A 17 -4.871 -13.429 -5.049 1.00 0.00 C ATOM 173 C ILE A 17 -4.001 -14.629 -5.460 1.00 0.00 C ATOM 174 O ILE A 17 -3.070 -14.446 -6.234 1.00 0.00 O ATOM 175 CB ILE A 17 -4.332 -12.678 -3.803 1.00 0.00 C ATOM 176 CG1 ILE A 17 -2.898 -12.109 -3.940 1.00 0.00 C ATOM 177 CG2 ILE A 17 -4.362 -13.572 -2.547 1.00 0.00 C ATOM 178 CD1 ILE A 17 -2.691 -11.037 -5.011 1.00 0.00 C ATOM 0 HA ILE A 17 -4.824 -12.741 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.012 -11.831 -3.709 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.603 -11.692 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.221 -12.937 -4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.977 -13.013 -1.694 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.387 -13.882 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.742 -14.453 -2.713 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.649 -10.718 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -2.944 -11.446 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.332 -10.182 -4.798 1.00 0.00 H new ATOM 190 N GLN A 18 -4.295 -15.851 -4.997 1.00 0.00 N ATOM 191 CA GLN A 18 -3.557 -17.052 -5.380 1.00 0.00 C ATOM 192 C GLN A 18 -3.577 -17.290 -6.888 1.00 0.00 C ATOM 193 O GLN A 18 -2.542 -17.622 -7.464 1.00 0.00 O ATOM 194 CB GLN A 18 -4.160 -18.273 -4.686 1.00 0.00 C ATOM 195 CG GLN A 18 -3.775 -18.344 -3.213 1.00 0.00 C ATOM 196 CD GLN A 18 -4.351 -19.608 -2.599 1.00 0.00 C ATOM 197 OE1 GLN A 18 -3.770 -20.687 -2.723 1.00 0.00 O ATOM 198 NE2 GLN A 18 -5.490 -19.519 -1.943 1.00 0.00 N ATOM 0 H GLN A 18 -5.057 -16.030 -4.343 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.522 -16.902 -5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.246 -18.241 -4.775 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.826 -19.179 -5.192 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.690 -18.338 -3.109 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.150 -17.467 -2.685 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.956 -18.617 -1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.906 -20.353 -1.527 1.00 0.00 H new ATOM 207 N GLU A 19 -4.742 -17.163 -7.517 1.00 0.00 N ATOM 208 CA GLU A 19 -4.919 -17.349 -8.945 1.00 0.00 C ATOM 209 C GLU A 19 -4.179 -16.237 -9.674 1.00 0.00 C ATOM 210 O GLU A 19 -3.442 -16.513 -10.613 1.00 0.00 O ATOM 211 CB GLU A 19 -6.417 -17.340 -9.262 1.00 0.00 C ATOM 212 CG GLU A 19 -6.736 -17.581 -10.740 1.00 0.00 C ATOM 213 CD GLU A 19 -8.240 -17.424 -10.948 1.00 0.00 C ATOM 214 OE1 GLU A 19 -8.693 -16.267 -11.092 1.00 0.00 O ATOM 215 OE2 GLU A 19 -8.971 -18.439 -10.889 1.00 0.00 O ATOM 0 H GLU A 19 -5.606 -16.922 -7.032 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.510 -18.304 -9.274 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.910 -18.106 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.837 -16.380 -8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.192 -16.872 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.416 -18.579 -11.038 1.00 0.00 H new ATOM 222 N ILE A 20 -4.307 -14.992 -9.216 1.00 0.00 N ATOM 223 CA ILE A 20 -3.624 -13.858 -9.817 1.00 0.00 C ATOM 224 C ILE A 20 -2.115 -14.104 -9.804 1.00 0.00 C ATOM 225 O ILE A 20 -1.472 -13.999 -10.842 1.00 0.00 O ATOM 226 CB ILE A 20 -4.033 -12.562 -9.085 1.00 0.00 C ATOM 227 CG1 ILE A 20 -5.555 -12.292 -9.140 1.00 0.00 C ATOM 228 CG2 ILE A 20 -3.240 -11.367 -9.628 1.00 0.00 C ATOM 229 CD1 ILE A 20 -6.169 -12.331 -10.546 1.00 0.00 C ATOM 0 H ILE A 20 -4.890 -14.746 -8.416 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.918 -13.740 -10.860 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.787 -12.701 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.062 -13.029 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.752 -11.314 -8.701 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.541 -10.461 -9.101 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.174 -11.538 -9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -3.441 -11.251 -10.693 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.238 -12.130 -10.482 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.695 -11.575 -11.171 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.010 -13.316 -10.985 1.00 0.00 H new ATOM 241 N VAL A 21 -1.550 -14.463 -8.652 1.00 0.00 N ATOM 242 CA VAL A 21 -0.140 -14.793 -8.488 1.00 0.00 C ATOM 243 C VAL A 21 0.234 -15.946 -9.427 1.00 0.00 C ATOM 244 O VAL A 21 1.303 -15.922 -10.041 1.00 0.00 O ATOM 245 CB VAL A 21 0.088 -15.137 -7.003 1.00 0.00 C ATOM 246 CG1 VAL A 21 1.478 -15.696 -6.705 1.00 0.00 C ATOM 247 CG2 VAL A 21 -0.111 -13.917 -6.089 1.00 0.00 C ATOM 0 H VAL A 21 -2.079 -14.534 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 21 0.504 -13.955 -8.755 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.658 -15.905 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.562 -15.914 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.632 -16.612 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.233 -14.962 -6.986 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.060 -14.207 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.595 -13.134 -6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.129 -13.543 -6.198 1.00 0.00 H new ATOM 257 N ALA A 22 -0.633 -16.952 -9.548 1.00 0.00 N ATOM 258 CA ALA A 22 -0.417 -18.103 -10.411 1.00 0.00 C ATOM 259 C ALA A 22 -0.386 -17.684 -11.895 1.00 0.00 C ATOM 260 O ALA A 22 0.342 -18.290 -12.682 1.00 0.00 O ATOM 261 CB ALA A 22 -1.493 -19.161 -10.130 1.00 0.00 C ATOM 0 H ALA A 22 -1.517 -16.986 -9.040 1.00 0.00 H new ATOM 0 HA ALA A 22 0.557 -18.542 -10.193 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.332 -20.024 -10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.434 -19.472 -9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.478 -18.739 -10.327 1.00 0.00 H new ATOM 267 N MET A 23 -1.130 -16.646 -12.286 1.00 0.00 N ATOM 268 CA MET A 23 -1.240 -16.124 -13.647 1.00 0.00 C ATOM 269 C MET A 23 -0.125 -15.126 -14.015 1.00 0.00 C ATOM 270 O MET A 23 -0.100 -14.639 -15.151 1.00 0.00 O ATOM 271 CB MET A 23 -2.601 -15.411 -13.769 1.00 0.00 C ATOM 272 CG MET A 23 -3.804 -16.353 -13.610 1.00 0.00 C ATOM 273 SD MET A 23 -4.810 -16.556 -15.101 1.00 0.00 S ATOM 274 CE MET A 23 -5.574 -14.914 -15.117 1.00 0.00 C ATOM 0 H MET A 23 -1.702 -16.120 -11.625 1.00 0.00 H new ATOM 0 HA MET A 23 -1.146 -16.966 -14.333 1.00 0.00 H new ATOM 0 HB2 MET A 23 -2.661 -14.628 -13.013 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.659 -14.921 -14.741 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.442 -17.332 -13.297 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.439 -15.976 -12.808 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.283 -14.851 -15.943 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.097 -14.747 -14.176 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.802 -14.155 -15.243 1.00 0.00 H new ATOM 284 N SER A 24 0.757 -14.763 -13.086 1.00 0.00 N ATOM 285 CA SER A 24 1.594 -13.569 -13.178 1.00 0.00 C ATOM 286 C SER A 24 3.022 -13.934 -13.672 1.00 0.00 C ATOM 287 O SER A 24 3.412 -15.107 -13.614 1.00 0.00 O ATOM 288 CB SER A 24 1.489 -12.922 -11.784 1.00 0.00 C ATOM 289 OG SER A 24 1.956 -11.595 -11.692 1.00 0.00 O ATOM 0 H SER A 24 0.913 -15.300 -12.233 1.00 0.00 H new ATOM 0 HA SER A 24 1.275 -12.843 -13.925 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.445 -12.943 -11.471 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.047 -13.535 -11.076 1.00 0.00 H new ATOM 0 HG SER A 24 1.846 -11.273 -10.773 1.00 0.00 H new ATOM 295 N PRO A 25 3.794 -12.980 -14.244 1.00 0.00 N ATOM 296 CA PRO A 25 5.146 -13.217 -14.758 1.00 0.00 C ATOM 297 C PRO A 25 6.166 -13.362 -13.616 1.00 0.00 C ATOM 298 O PRO A 25 5.799 -13.355 -12.439 1.00 0.00 O ATOM 299 CB PRO A 25 5.441 -12.063 -15.716 1.00 0.00 C ATOM 300 CG PRO A 25 4.639 -10.910 -15.136 1.00 0.00 C ATOM 301 CD PRO A 25 3.417 -11.598 -14.525 1.00 0.00 C ATOM 0 HA PRO A 25 5.222 -14.163 -15.294 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.506 -11.833 -15.753 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.130 -12.297 -16.734 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.209 -10.362 -14.385 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.353 -10.193 -15.905 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.107 -11.091 -13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 25 2.572 -11.562 -15.212 1.00 0.00 H new ATOM 309 N GLU A 26 7.435 -13.611 -13.932 1.00 0.00 N ATOM 310 CA GLU A 26 8.484 -13.826 -12.960 1.00 0.00 C ATOM 311 C GLU A 26 8.976 -12.490 -12.389 1.00 0.00 C ATOM 312 O GLU A 26 9.902 -11.855 -12.896 1.00 0.00 O ATOM 313 CB GLU A 26 9.600 -14.690 -13.575 1.00 0.00 C ATOM 314 CG GLU A 26 10.057 -15.609 -12.450 1.00 0.00 C ATOM 315 CD GLU A 26 11.099 -16.683 -12.725 1.00 0.00 C ATOM 316 OE1 GLU A 26 11.222 -17.135 -13.884 1.00 0.00 O ATOM 317 OE2 GLU A 26 11.609 -17.242 -11.723 1.00 0.00 O ATOM 0 H GLU A 26 7.762 -13.669 -14.897 1.00 0.00 H new ATOM 0 HA GLU A 26 8.094 -14.384 -12.109 1.00 0.00 H new ATOM 0 HB2 GLU A 26 9.231 -15.262 -14.426 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.422 -14.073 -13.938 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.445 -14.977 -11.652 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.171 -16.109 -12.059 1.00 0.00 H new ATOM 324 N LEU A 27 8.311 -12.043 -11.331 1.00 0.00 N ATOM 325 CA LEU A 27 8.569 -10.761 -10.693 1.00 0.00 C ATOM 326 C LEU A 27 9.914 -10.769 -9.979 1.00 0.00 C ATOM 327 O LEU A 27 10.271 -11.739 -9.308 1.00 0.00 O ATOM 328 CB LEU A 27 7.425 -10.437 -9.746 1.00 0.00 C ATOM 329 CG LEU A 27 6.389 -9.518 -10.422 1.00 0.00 C ATOM 330 CD1 LEU A 27 5.934 -10.020 -11.783 1.00 0.00 C ATOM 331 CD2 LEU A 27 5.171 -9.399 -9.529 1.00 0.00 C ATOM 0 H LEU A 27 7.563 -12.573 -10.885 1.00 0.00 H new ATOM 0 HA LEU A 27 8.623 -9.980 -11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.942 -11.360 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.816 -9.953 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 27 6.878 -8.556 -10.573 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.206 -9.326 -12.202 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.793 -10.091 -12.450 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.477 -11.003 -11.674 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.435 -8.750 -10.003 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.737 -10.386 -9.372 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.464 -8.975 -8.569 1.00 0.00 H new ATOM 343 N ASP A 28 10.636 -9.656 -10.076 1.00 0.00 N ATOM 344 CA ASP A 28 11.890 -9.428 -9.374 1.00 0.00 C ATOM 345 C ASP A 28 11.579 -9.163 -7.908 1.00 0.00 C ATOM 346 O ASP A 28 11.319 -8.014 -7.549 1.00 0.00 O ATOM 347 CB ASP A 28 12.633 -8.213 -9.936 1.00 0.00 C ATOM 348 CG ASP A 28 13.339 -8.477 -11.250 1.00 0.00 C ATOM 349 OD1 ASP A 28 14.403 -9.141 -11.209 1.00 0.00 O ATOM 350 OD2 ASP A 28 12.862 -7.953 -12.281 1.00 0.00 O ATOM 0 H ASP A 28 10.355 -8.869 -10.661 1.00 0.00 H new ATOM 0 HA ASP A 28 12.521 -10.308 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.923 -7.398 -10.074 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.366 -7.877 -9.203 1.00 0.00 H new ATOM 355 N THR A 29 11.596 -10.181 -7.045 1.00 0.00 N ATOM 356 CA THR A 29 11.327 -9.995 -5.623 1.00 0.00 C ATOM 357 C THR A 29 12.246 -8.909 -5.063 1.00 0.00 C ATOM 358 O THR A 29 11.763 -7.921 -4.505 1.00 0.00 O ATOM 359 CB THR A 29 11.444 -11.327 -4.866 1.00 0.00 C ATOM 360 OG1 THR A 29 12.625 -12.039 -5.190 1.00 0.00 O ATOM 361 CG2 THR A 29 10.253 -12.215 -5.206 1.00 0.00 C ATOM 0 H THR A 29 11.794 -11.146 -7.311 1.00 0.00 H new ATOM 0 HA THR A 29 10.300 -9.656 -5.485 1.00 0.00 H new ATOM 0 HB THR A 29 11.471 -11.081 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.825 -12.682 -4.478 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.338 -13.159 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.330 -11.713 -4.915 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.238 -12.409 -6.279 1.00 0.00 H new ATOM 369 N TYR A 30 13.558 -9.037 -5.272 1.00 0.00 N ATOM 370 CA TYR A 30 14.553 -8.076 -4.868 1.00 0.00 C ATOM 371 C TYR A 30 14.241 -6.671 -5.366 1.00 0.00 C ATOM 372 O TYR A 30 14.062 -5.765 -4.549 1.00 0.00 O ATOM 373 CB TYR A 30 15.911 -8.555 -5.365 1.00 0.00 C ATOM 374 CG TYR A 30 17.031 -7.833 -4.676 1.00 0.00 C ATOM 375 CD1 TYR A 30 17.261 -8.108 -3.323 1.00 0.00 C ATOM 376 CD2 TYR A 30 17.810 -6.890 -5.359 1.00 0.00 C ATOM 377 CE1 TYR A 30 18.310 -7.465 -2.645 1.00 0.00 C ATOM 378 CE2 TYR A 30 18.883 -6.268 -4.705 1.00 0.00 C ATOM 379 CZ TYR A 30 19.130 -6.546 -3.345 1.00 0.00 C ATOM 380 OH TYR A 30 20.148 -5.912 -2.717 1.00 0.00 O ATOM 0 H TYR A 30 13.958 -9.847 -5.746 1.00 0.00 H new ATOM 0 HA TYR A 30 14.557 -8.008 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 30 16.006 -9.627 -5.192 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.982 -8.398 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 30 16.632 -8.814 -2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 30 17.585 -6.643 -6.386 1.00 0.00 H new ATOM 0 HE1 TYR A 30 18.490 -7.669 -1.600 1.00 0.00 H new ATOM 0 HE2 TYR A 30 19.518 -5.578 -5.241 1.00 0.00 H new ATOM 0 HH TYR A 30 20.605 -5.319 -3.350 1.00 0.00 H new ATOM 390 N SER A 31 14.159 -6.491 -6.684 1.00 0.00 N ATOM 391 CA SER A 31 13.938 -5.182 -7.276 1.00 0.00 C ATOM 392 C SER A 31 12.622 -4.580 -6.782 1.00 0.00 C ATOM 393 O SER A 31 12.619 -3.398 -6.456 1.00 0.00 O ATOM 394 CB SER A 31 13.984 -5.279 -8.803 1.00 0.00 C ATOM 395 OG SER A 31 14.196 -4.002 -9.374 1.00 0.00 O ATOM 0 H SER A 31 14.244 -7.247 -7.364 1.00 0.00 H new ATOM 0 HA SER A 31 14.737 -4.511 -6.961 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.782 -5.957 -9.106 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.050 -5.700 -9.175 1.00 0.00 H new ATOM 0 HG SER A 31 14.224 -4.081 -10.350 1.00 0.00 H new ATOM 401 N ILE A 32 11.539 -5.351 -6.638 1.00 0.00 N ATOM 402 CA ILE A 32 10.290 -4.861 -6.059 1.00 0.00 C ATOM 403 C ILE A 32 10.575 -4.347 -4.656 1.00 0.00 C ATOM 404 O ILE A 32 10.208 -3.211 -4.384 1.00 0.00 O ATOM 405 CB ILE A 32 9.188 -5.945 -6.093 1.00 0.00 C ATOM 406 CG1 ILE A 32 8.752 -6.160 -7.557 1.00 0.00 C ATOM 407 CG2 ILE A 32 7.947 -5.585 -5.241 1.00 0.00 C ATOM 408 CD1 ILE A 32 8.042 -7.495 -7.742 1.00 0.00 C ATOM 0 H ILE A 32 11.507 -6.331 -6.920 1.00 0.00 H new ATOM 0 HA ILE A 32 9.901 -4.035 -6.655 1.00 0.00 H new ATOM 0 HB ILE A 32 9.613 -6.852 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.090 -5.350 -7.862 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.626 -6.119 -8.207 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.213 -6.388 -5.309 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.245 -5.454 -4.201 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.507 -4.659 -5.612 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.750 -7.610 -8.786 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.714 -8.306 -7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.153 -7.525 -7.111 1.00 0.00 H new ATOM 420 N THR A 33 11.243 -5.100 -3.773 1.00 0.00 N ATOM 421 CA THR A 33 11.501 -4.590 -2.424 1.00 0.00 C ATOM 422 C THR A 33 12.252 -3.262 -2.464 1.00 0.00 C ATOM 423 O THR A 33 11.935 -2.358 -1.697 1.00 0.00 O ATOM 424 CB THR A 33 12.233 -5.601 -1.531 1.00 0.00 C ATOM 425 OG1 THR A 33 13.569 -5.860 -1.931 1.00 0.00 O ATOM 426 CG2 THR A 33 11.463 -6.916 -1.435 1.00 0.00 C ATOM 0 H THR A 33 11.604 -6.035 -3.960 1.00 0.00 H new ATOM 0 HA THR A 33 10.523 -4.421 -1.974 1.00 0.00 H new ATOM 0 HB THR A 33 12.281 -5.129 -0.550 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.584 -6.116 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.008 -7.611 -0.796 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.476 -6.730 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.355 -7.348 -2.430 1.00 0.00 H new ATOM 434 N LYS A 34 13.216 -3.136 -3.378 1.00 0.00 N ATOM 435 CA LYS A 34 13.976 -1.916 -3.584 1.00 0.00 C ATOM 436 C LYS A 34 13.030 -0.810 -4.017 1.00 0.00 C ATOM 437 O LYS A 34 12.908 0.165 -3.291 1.00 0.00 O ATOM 438 CB LYS A 34 15.143 -2.145 -4.560 1.00 0.00 C ATOM 439 CG LYS A 34 16.320 -2.757 -3.790 1.00 0.00 C ATOM 440 CD LYS A 34 17.564 -2.970 -4.647 1.00 0.00 C ATOM 441 CE LYS A 34 18.656 -1.921 -4.437 1.00 0.00 C ATOM 442 NZ LYS A 34 18.530 -0.727 -5.296 1.00 0.00 N ATOM 0 H LYS A 34 13.490 -3.895 -4.002 1.00 0.00 H new ATOM 0 HA LYS A 34 14.442 -1.603 -2.650 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.835 -2.809 -5.368 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.442 -1.202 -5.019 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.573 -2.107 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.010 -3.714 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.976 -3.956 -4.431 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.273 -2.970 -5.697 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.644 -1.606 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.626 -2.383 -4.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.308 -0.068 -5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.573 -1.012 -6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.621 -0.259 -5.108 1.00 0.00 H new ATOM 456 N ARG A 35 12.338 -0.963 -5.142 1.00 0.00 N ATOM 457 CA ARG A 35 11.418 0.003 -5.732 1.00 0.00 C ATOM 458 C ARG A 35 10.335 0.426 -4.733 1.00 0.00 C ATOM 459 O ARG A 35 9.979 1.595 -4.686 1.00 0.00 O ATOM 460 CB ARG A 35 10.848 -0.647 -7.012 1.00 0.00 C ATOM 461 CG ARG A 35 10.552 0.302 -8.179 1.00 0.00 C ATOM 462 CD ARG A 35 9.228 1.035 -8.001 1.00 0.00 C ATOM 463 NE ARG A 35 8.717 1.601 -9.260 1.00 0.00 N ATOM 464 CZ ARG A 35 8.108 0.950 -10.260 1.00 0.00 C ATOM 465 NH1 ARG A 35 8.028 -0.378 -10.293 1.00 0.00 N ATOM 466 NH2 ARG A 35 7.569 1.648 -11.243 1.00 0.00 N ATOM 0 H ARG A 35 12.409 -1.815 -5.699 1.00 0.00 H new ATOM 0 HA ARG A 35 11.929 0.930 -5.993 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.554 -1.403 -7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.926 -1.167 -6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.359 1.029 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.530 -0.265 -9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.489 0.347 -7.591 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.356 1.836 -7.273 1.00 0.00 H new ATOM 0 HE ARG A 35 8.841 2.606 -9.386 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.438 -0.932 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.557 -0.841 -11.070 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.620 2.667 -11.233 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.101 1.168 -12.012 1.00 0.00 H new ATOM 480 N VAL A 36 9.842 -0.497 -3.907 1.00 0.00 N ATOM 481 CA VAL A 36 8.888 -0.225 -2.842 1.00 0.00 C ATOM 482 C VAL A 36 9.554 0.681 -1.808 1.00 0.00 C ATOM 483 O VAL A 36 9.047 1.764 -1.534 1.00 0.00 O ATOM 484 CB VAL A 36 8.370 -1.563 -2.269 1.00 0.00 C ATOM 485 CG1 VAL A 36 7.650 -1.381 -0.930 1.00 0.00 C ATOM 486 CG2 VAL A 36 7.355 -2.204 -3.237 1.00 0.00 C ATOM 0 H VAL A 36 10.105 -1.481 -3.965 1.00 0.00 H new ATOM 0 HA VAL A 36 8.011 0.308 -3.209 1.00 0.00 H new ATOM 0 HB VAL A 36 9.248 -2.193 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 36 7.305 -2.349 -0.568 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.337 -0.946 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.795 -0.718 -1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 36 6.999 -3.146 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.512 -1.528 -3.380 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.836 -2.391 -4.197 1.00 0.00 H new ATOM 496 N LYS A 37 10.686 0.257 -1.237 1.00 0.00 N ATOM 497 CA LYS A 37 11.406 1.041 -0.237 1.00 0.00 C ATOM 498 C LYS A 37 11.721 2.436 -0.749 1.00 0.00 C ATOM 499 O LYS A 37 11.611 3.379 0.025 1.00 0.00 O ATOM 500 CB LYS A 37 12.701 0.330 0.151 1.00 0.00 C ATOM 501 CG LYS A 37 12.413 -0.813 1.123 1.00 0.00 C ATOM 502 CD LYS A 37 13.698 -1.565 1.488 1.00 0.00 C ATOM 503 CE LYS A 37 14.152 -2.498 0.360 1.00 0.00 C ATOM 504 NZ LYS A 37 15.561 -2.903 0.509 1.00 0.00 N ATOM 0 H LYS A 37 11.125 -0.637 -1.456 1.00 0.00 H new ATOM 0 HA LYS A 37 10.764 1.137 0.639 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.191 -0.059 -0.742 1.00 0.00 H new ATOM 0 HB3 LYS A 37 13.390 1.040 0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.950 -0.418 2.027 1.00 0.00 H new ATOM 0 HG3 LYS A 37 11.699 -1.504 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.489 -0.848 1.707 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.534 -2.145 2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.519 -3.386 0.348 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.018 -1.998 -0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.025 -2.893 -0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.047 -2.240 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.606 -3.862 0.908 1.00 0.00 H new ATOM 518 N GLU A 38 12.081 2.571 -2.024 1.00 0.00 N ATOM 519 CA GLU A 38 12.340 3.870 -2.627 1.00 0.00 C ATOM 520 C GLU A 38 11.134 4.791 -2.476 1.00 0.00 C ATOM 521 O GLU A 38 11.289 5.879 -1.928 1.00 0.00 O ATOM 522 CB GLU A 38 12.739 3.754 -4.105 1.00 0.00 C ATOM 523 CG GLU A 38 14.067 3.052 -4.375 1.00 0.00 C ATOM 524 CD GLU A 38 15.288 3.821 -3.881 1.00 0.00 C ATOM 525 OE1 GLU A 38 15.430 3.991 -2.651 1.00 0.00 O ATOM 526 OE2 GLU A 38 16.196 4.104 -4.697 1.00 0.00 O ATOM 0 H GLU A 38 12.200 1.785 -2.663 1.00 0.00 H new ATOM 0 HA GLU A 38 13.185 4.304 -2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.951 3.219 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 38 12.785 4.757 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 38 14.051 2.072 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 38 14.166 2.884 -5.447 1.00 0.00 H new ATOM 533 N VAL A 39 9.953 4.355 -2.919 1.00 0.00 N ATOM 534 CA VAL A 39 8.717 5.125 -2.846 1.00 0.00 C ATOM 535 C VAL A 39 8.375 5.432 -1.384 1.00 0.00 C ATOM 536 O VAL A 39 8.001 6.566 -1.078 1.00 0.00 O ATOM 537 CB VAL A 39 7.594 4.354 -3.577 1.00 0.00 C ATOM 538 CG1 VAL A 39 6.217 5.006 -3.407 1.00 0.00 C ATOM 539 CG2 VAL A 39 7.879 4.268 -5.084 1.00 0.00 C ATOM 0 H VAL A 39 9.830 3.437 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 39 8.835 6.086 -3.347 1.00 0.00 H new ATOM 0 HB VAL A 39 7.578 3.363 -3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.469 4.421 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.960 5.043 -2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.242 6.019 -3.810 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.075 3.721 -5.576 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.942 5.273 -5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.823 3.748 -5.247 1.00 0.00 H new ATOM 549 N LEU A 40 8.497 4.454 -0.476 1.00 0.00 N ATOM 550 CA LEU A 40 8.144 4.657 0.928 1.00 0.00 C ATOM 551 C LEU A 40 9.074 5.679 1.572 1.00 0.00 C ATOM 552 O LEU A 40 8.592 6.547 2.300 1.00 0.00 O ATOM 553 CB LEU A 40 8.135 3.343 1.737 1.00 0.00 C ATOM 554 CG LEU A 40 7.144 2.282 1.225 1.00 0.00 C ATOM 555 CD1 LEU A 40 7.325 0.998 2.033 1.00 0.00 C ATOM 556 CD2 LEU A 40 5.696 2.760 1.308 1.00 0.00 C ATOM 0 H LEU A 40 8.837 3.517 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 40 7.125 5.043 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.139 2.918 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.897 3.573 2.776 1.00 0.00 H new ATOM 0 HG LEU A 40 7.358 2.096 0.172 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.626 0.242 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.346 0.634 1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.133 1.201 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.033 1.979 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.446 2.985 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.574 3.658 0.702 1.00 0.00 H new ATOM 568 N THR A 41 10.378 5.598 1.302 1.00 0.00 N ATOM 569 CA THR A 41 11.354 6.573 1.737 1.00 0.00 C ATOM 570 C THR A 41 10.989 7.958 1.197 1.00 0.00 C ATOM 571 O THR A 41 10.842 8.883 1.998 1.00 0.00 O ATOM 572 CB THR A 41 12.746 6.101 1.303 1.00 0.00 C ATOM 573 OG1 THR A 41 13.146 5.010 2.117 1.00 0.00 O ATOM 574 CG2 THR A 41 13.801 7.197 1.414 1.00 0.00 C ATOM 0 H THR A 41 10.784 4.833 0.763 1.00 0.00 H new ATOM 0 HA THR A 41 11.360 6.663 2.823 1.00 0.00 H new ATOM 0 HB THR A 41 12.672 5.811 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.817 4.173 1.728 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.767 6.806 1.094 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.521 8.037 0.779 1.00 0.00 H new ATOM 0 HG23 THR A 41 13.870 7.532 2.449 1.00 0.00 H new ATOM 582 N ASP A 42 10.819 8.087 -0.124 1.00 0.00 N ATOM 583 CA ASP A 42 10.600 9.352 -0.825 1.00 0.00 C ATOM 584 C ASP A 42 9.403 10.078 -0.232 1.00 0.00 C ATOM 585 O ASP A 42 9.460 11.277 0.019 1.00 0.00 O ATOM 586 CB ASP A 42 10.316 9.110 -2.318 1.00 0.00 C ATOM 587 CG ASP A 42 11.536 9.030 -3.234 1.00 0.00 C ATOM 588 OD1 ASP A 42 12.698 9.224 -2.803 1.00 0.00 O ATOM 589 OD2 ASP A 42 11.313 8.822 -4.447 1.00 0.00 O ATOM 0 H ASP A 42 10.831 7.284 -0.753 1.00 0.00 H new ATOM 0 HA ASP A 42 11.504 9.951 -0.714 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.755 8.180 -2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.670 9.911 -2.678 1.00 0.00 H new ATOM 594 N ASN A 43 8.317 9.348 0.016 1.00 0.00 N ATOM 595 CA ASN A 43 7.050 9.912 0.475 1.00 0.00 C ATOM 596 C ASN A 43 6.977 9.983 1.998 1.00 0.00 C ATOM 597 O ASN A 43 5.925 10.308 2.558 1.00 0.00 O ATOM 598 CB ASN A 43 5.904 9.103 -0.132 1.00 0.00 C ATOM 599 CG ASN A 43 5.830 9.410 -1.617 1.00 0.00 C ATOM 600 OD1 ASN A 43 5.130 10.324 -2.031 1.00 0.00 O ATOM 601 ND2 ASN A 43 6.555 8.676 -2.440 1.00 0.00 N ATOM 0 H ASN A 43 8.293 8.335 -0.098 1.00 0.00 H new ATOM 0 HA ASN A 43 6.967 10.944 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.068 8.037 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.962 9.357 0.354 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.538 8.866 -3.442 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.132 7.919 -2.074 1.00 0.00 H new ATOM 608 N ASN A 44 8.091 9.693 2.673 1.00 0.00 N ATOM 609 CA ASN A 44 8.268 9.632 4.117 1.00 0.00 C ATOM 610 C ASN A 44 7.167 8.814 4.799 1.00 0.00 C ATOM 611 O ASN A 44 6.640 9.205 5.847 1.00 0.00 O ATOM 612 CB ASN A 44 8.474 11.040 4.692 1.00 0.00 C ATOM 613 CG ASN A 44 9.355 11.017 5.936 1.00 0.00 C ATOM 614 OD1 ASN A 44 10.507 11.420 5.884 1.00 0.00 O ATOM 615 ND2 ASN A 44 8.861 10.546 7.070 1.00 0.00 N ATOM 0 H ASN A 44 8.958 9.479 2.181 1.00 0.00 H new ATOM 0 HA ASN A 44 9.182 9.081 4.339 1.00 0.00 H new ATOM 0 HB2 ASN A 44 8.929 11.679 3.935 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.507 11.477 4.939 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.443 10.518 7.907 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.898 10.211 7.107 1.00 0.00 H new ATOM 622 N LEU A 45 6.792 7.697 4.177 1.00 0.00 N ATOM 623 CA LEU A 45 5.797 6.747 4.653 1.00 0.00 C ATOM 624 C LEU A 45 6.439 5.761 5.620 1.00 0.00 C ATOM 625 O LEU A 45 7.667 5.653 5.698 1.00 0.00 O ATOM 626 CB LEU A 45 5.251 5.950 3.461 1.00 0.00 C ATOM 627 CG LEU A 45 4.357 6.763 2.517 1.00 0.00 C ATOM 628 CD1 LEU A 45 4.213 5.978 1.214 1.00 0.00 C ATOM 629 CD2 LEU A 45 2.977 7.000 3.136 1.00 0.00 C ATOM 0 H LEU A 45 7.197 7.420 3.283 1.00 0.00 H new ATOM 0 HA LEU A 45 4.998 7.295 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.090 5.548 2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.684 5.099 3.837 1.00 0.00 H new ATOM 0 HG LEU A 45 4.809 7.738 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.580 6.534 0.522 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.196 5.830 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.759 5.009 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.363 7.579 2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.497 6.041 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.087 7.549 4.071 1.00 0.00 H new ATOM 641 N GLY A 46 5.600 4.985 6.299 1.00 0.00 N ATOM 642 CA GLY A 46 5.970 3.884 7.164 1.00 0.00 C ATOM 643 C GLY A 46 5.806 2.575 6.409 1.00 0.00 C ATOM 644 O GLY A 46 4.772 2.368 5.767 1.00 0.00 O ATOM 0 H GLY A 46 4.590 5.120 6.254 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.002 3.999 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.345 3.883 8.057 1.00 0.00 H new ATOM 648 N GLN A 47 6.785 1.672 6.524 1.00 0.00 N ATOM 649 CA GLN A 47 6.659 0.314 6.001 1.00 0.00 C ATOM 650 C GLN A 47 5.481 -0.399 6.664 1.00 0.00 C ATOM 651 O GLN A 47 4.807 -1.164 5.987 1.00 0.00 O ATOM 652 CB GLN A 47 7.947 -0.486 6.235 1.00 0.00 C ATOM 653 CG GLN A 47 9.004 -0.190 5.169 1.00 0.00 C ATOM 654 CD GLN A 47 10.388 -0.683 5.548 1.00 0.00 C ATOM 655 OE1 GLN A 47 11.326 0.101 5.670 1.00 0.00 O ATOM 656 NE2 GLN A 47 10.574 -1.969 5.754 1.00 0.00 N ATOM 0 H GLN A 47 7.678 1.862 6.978 1.00 0.00 H new ATOM 0 HA GLN A 47 6.483 0.380 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 47 8.348 -0.248 7.220 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.718 -1.552 6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.704 -0.655 4.230 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.043 0.885 4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.795 -2.620 5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.497 -2.315 6.015 1.00 0.00 H new ATOM 665 N ARG A 48 5.208 -0.114 7.947 1.00 0.00 N ATOM 666 CA ARG A 48 4.046 -0.594 8.694 1.00 0.00 C ATOM 667 C ARG A 48 2.770 -0.476 7.861 1.00 0.00 C ATOM 668 O ARG A 48 2.158 -1.480 7.538 1.00 0.00 O ATOM 669 CB ARG A 48 3.946 0.177 10.025 1.00 0.00 C ATOM 670 CG ARG A 48 2.690 -0.166 10.842 1.00 0.00 C ATOM 671 CD ARG A 48 2.606 0.703 12.101 1.00 0.00 C ATOM 672 NE ARG A 48 1.252 0.636 12.669 1.00 0.00 N ATOM 673 CZ ARG A 48 0.924 0.556 13.959 1.00 0.00 C ATOM 674 NH1 ARG A 48 1.799 0.861 14.916 1.00 0.00 N ATOM 675 NH2 ARG A 48 -0.302 0.176 14.284 1.00 0.00 N ATOM 0 H ARG A 48 5.817 0.480 8.510 1.00 0.00 H new ATOM 0 HA ARG A 48 4.169 -1.653 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.830 -0.037 10.626 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.953 1.247 9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.800 -0.015 10.230 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.709 -1.219 11.122 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.335 0.363 12.837 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.856 1.736 11.858 1.00 0.00 H new ATOM 0 HE ARG A 48 0.479 0.653 12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.741 1.163 14.668 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.527 0.793 15.897 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.977 -0.050 13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.572 0.109 15.265 1.00 0.00 H new ATOM 689 N LEU A 49 2.369 0.750 7.525 1.00 0.00 N ATOM 690 CA LEU A 49 1.111 1.064 6.867 1.00 0.00 C ATOM 691 C LEU A 49 1.009 0.326 5.544 1.00 0.00 C ATOM 692 O LEU A 49 0.036 -0.371 5.266 1.00 0.00 O ATOM 693 CB LEU A 49 1.079 2.585 6.642 1.00 0.00 C ATOM 694 CG LEU A 49 -0.326 3.158 6.807 1.00 0.00 C ATOM 695 CD1 LEU A 49 -0.173 4.675 6.884 1.00 0.00 C ATOM 696 CD2 LEU A 49 -1.298 2.791 5.703 1.00 0.00 C ATOM 0 H LEU A 49 2.935 1.578 7.712 1.00 0.00 H new ATOM 0 HA LEU A 49 0.266 0.752 7.481 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.754 3.070 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.448 2.811 5.642 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.761 2.727 7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.154 5.134 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.455 4.935 7.737 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.290 5.041 5.968 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.268 3.243 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.920 3.158 4.749 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.405 1.707 5.658 1.00 0.00 H new ATOM 708 N PHE A 50 2.042 0.490 4.721 1.00 0.00 N ATOM 709 CA PHE A 50 2.169 -0.221 3.462 1.00 0.00 C ATOM 710 C PHE A 50 1.959 -1.726 3.665 1.00 0.00 C ATOM 711 O PHE A 50 1.142 -2.352 2.991 1.00 0.00 O ATOM 712 CB PHE A 50 3.543 0.092 2.868 1.00 0.00 C ATOM 713 CG PHE A 50 3.899 -0.778 1.684 1.00 0.00 C ATOM 714 CD1 PHE A 50 3.423 -0.442 0.403 1.00 0.00 C ATOM 715 CD2 PHE A 50 4.678 -1.938 1.870 1.00 0.00 C ATOM 716 CE1 PHE A 50 3.750 -1.254 -0.692 1.00 0.00 C ATOM 717 CE2 PHE A 50 5.001 -2.751 0.770 1.00 0.00 C ATOM 718 CZ PHE A 50 4.552 -2.387 -0.511 1.00 0.00 C ATOM 0 H PHE A 50 2.816 1.125 4.915 1.00 0.00 H new ATOM 0 HA PHE A 50 1.399 0.107 2.764 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.568 1.138 2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.301 -0.032 3.641 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.810 0.436 0.264 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.027 -2.202 2.858 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.383 -1.005 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.588 -3.647 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.829 -2.988 -1.365 1.00 0.00 H new ATOM 728 N GLY A 51 2.680 -2.321 4.607 1.00 0.00 N ATOM 729 CA GLY A 51 2.583 -3.734 4.880 1.00 0.00 C ATOM 730 C GLY A 51 1.284 -4.121 5.553 1.00 0.00 C ATOM 731 O GLY A 51 1.040 -5.309 5.638 1.00 0.00 O ATOM 0 H GLY A 51 3.348 -1.829 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.679 -4.286 3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.417 -4.033 5.514 1.00 0.00 H new ATOM 735 N GLU A 52 0.441 -3.197 6.000 1.00 0.00 N ATOM 736 CA GLU A 52 -0.848 -3.502 6.593 1.00 0.00 C ATOM 737 C GLU A 52 -1.915 -3.437 5.498 1.00 0.00 C ATOM 738 O GLU A 52 -2.485 -4.468 5.133 1.00 0.00 O ATOM 739 CB GLU A 52 -1.116 -2.485 7.711 1.00 0.00 C ATOM 740 CG GLU A 52 -0.500 -2.887 9.053 1.00 0.00 C ATOM 741 CD GLU A 52 -1.586 -3.481 9.941 1.00 0.00 C ATOM 742 OE1 GLU A 52 -1.840 -4.707 9.862 1.00 0.00 O ATOM 743 OE2 GLU A 52 -2.229 -2.704 10.682 1.00 0.00 O ATOM 0 H GLU A 52 0.642 -2.198 5.958 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.866 -4.502 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.720 -1.514 7.413 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.192 -2.365 7.834 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.298 -3.613 8.898 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.052 -2.019 9.536 1.00 0.00 H new ATOM 750 N SER A 53 -2.154 -2.251 4.933 1.00 0.00 N ATOM 751 CA SER A 53 -3.213 -1.997 3.976 1.00 0.00 C ATOM 752 C SER A 53 -2.962 -2.675 2.636 1.00 0.00 C ATOM 753 O SER A 53 -3.923 -3.120 2.000 1.00 0.00 O ATOM 754 CB SER A 53 -3.349 -0.492 3.780 1.00 0.00 C ATOM 755 OG SER A 53 -3.998 0.079 4.895 1.00 0.00 O ATOM 0 H SER A 53 -1.596 -1.423 5.140 1.00 0.00 H new ATOM 0 HA SER A 53 -4.136 -2.417 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.364 -0.042 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.915 -0.284 2.872 1.00 0.00 H new ATOM 0 HG SER A 53 -4.081 1.047 4.765 1.00 0.00 H new ATOM 761 N ILE A 54 -1.708 -2.746 2.178 1.00 0.00 N ATOM 762 CA ILE A 54 -1.410 -3.444 0.940 1.00 0.00 C ATOM 763 C ILE A 54 -1.311 -4.921 1.290 1.00 0.00 C ATOM 764 O ILE A 54 -2.056 -5.716 0.716 1.00 0.00 O ATOM 765 CB ILE A 54 -0.157 -2.889 0.221 1.00 0.00 C ATOM 766 CG1 ILE A 54 -0.101 -1.346 0.205 1.00 0.00 C ATOM 767 CG2 ILE A 54 -0.070 -3.421 -1.222 1.00 0.00 C ATOM 768 CD1 ILE A 54 -1.395 -0.620 -0.161 1.00 0.00 C ATOM 0 H ILE A 54 -0.900 -2.333 2.643 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.203 -3.288 0.208 1.00 0.00 H new ATOM 0 HB ILE A 54 0.699 -3.241 0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.214 -1.006 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.673 -1.040 -0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.819 -3.016 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.011 -4.509 -1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.957 -3.114 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.227 0.457 -0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.708 -0.917 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.174 -0.882 0.555 1.00 0.00 H new ATOM 780 N LEU A 55 -0.397 -5.292 2.197 1.00 0.00 N ATOM 781 CA LEU A 55 -0.014 -6.691 2.383 1.00 0.00 C ATOM 782 C LEU A 55 -0.908 -7.383 3.413 1.00 0.00 C ATOM 783 O LEU A 55 -1.825 -8.105 3.029 1.00 0.00 O ATOM 784 CB LEU A 55 1.504 -6.796 2.627 1.00 0.00 C ATOM 785 CG LEU A 55 2.333 -6.072 1.540 1.00 0.00 C ATOM 786 CD1 LEU A 55 3.824 -6.324 1.743 1.00 0.00 C ATOM 787 CD2 LEU A 55 1.934 -6.496 0.126 1.00 0.00 C ATOM 0 H LEU A 55 0.089 -4.639 2.812 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.194 -7.257 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.742 -6.372 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.791 -7.847 2.658 1.00 0.00 H new ATOM 0 HG LEU A 55 2.122 -5.008 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.389 -5.806 0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.126 -5.952 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.024 -7.394 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.545 -5.960 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.090 -7.569 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.883 -6.262 -0.041 1.00 0.00 H new ATOM 799 N GLY A 56 -0.697 -7.161 4.703 1.00 0.00 N ATOM 800 CA GLY A 56 -1.374 -7.818 5.817 1.00 0.00 C ATOM 801 C GLY A 56 -0.402 -8.284 6.903 1.00 0.00 C ATOM 802 O GLY A 56 -0.733 -9.196 7.663 1.00 0.00 O ATOM 0 H GLY A 56 -0.009 -6.478 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.099 -7.131 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.933 -8.675 5.443 1.00 0.00 H new ATOM 806 N LEU A 57 0.806 -7.720 6.965 1.00 0.00 N ATOM 807 CA LEU A 57 1.965 -8.227 7.678 1.00 0.00 C ATOM 808 C LEU A 57 2.380 -7.206 8.723 1.00 0.00 C ATOM 809 O LEU A 57 2.229 -6.002 8.516 1.00 0.00 O ATOM 810 CB LEU A 57 3.106 -8.410 6.670 1.00 0.00 C ATOM 811 CG LEU A 57 2.773 -9.402 5.547 1.00 0.00 C ATOM 812 CD1 LEU A 57 3.844 -9.284 4.468 1.00 0.00 C ATOM 813 CD2 LEU A 57 2.631 -10.833 6.069 1.00 0.00 C ATOM 0 H LEU A 57 1.006 -6.842 6.486 1.00 0.00 H new ATOM 0 HA LEU A 57 1.734 -9.176 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.351 -7.443 6.230 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.995 -8.755 7.198 1.00 0.00 H new ATOM 0 HG LEU A 57 1.802 -9.153 5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.625 -9.982 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.855 -8.267 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.819 -9.519 4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.395 -11.501 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.567 -11.146 6.532 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.830 -10.873 6.807 1.00 0.00 H new ATOM 825 N THR A 58 2.958 -7.681 9.824 1.00 0.00 N ATOM 826 CA THR A 58 3.359 -6.777 10.893 1.00 0.00 C ATOM 827 C THR A 58 4.560 -5.946 10.432 1.00 0.00 C ATOM 828 O THR A 58 5.288 -6.363 9.528 1.00 0.00 O ATOM 829 CB THR A 58 3.622 -7.540 12.208 1.00 0.00 C ATOM 830 OG1 THR A 58 4.827 -8.285 12.158 1.00 0.00 O ATOM 831 CG2 THR A 58 2.490 -8.508 12.574 1.00 0.00 C ATOM 0 H THR A 58 3.155 -8.667 9.996 1.00 0.00 H new ATOM 0 HA THR A 58 2.543 -6.089 11.113 1.00 0.00 H new ATOM 0 HB THR A 58 3.691 -6.763 12.969 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.958 -8.752 13.009 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.733 -9.015 13.508 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.560 -7.952 12.694 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.372 -9.246 11.781 1.00 0.00 H new ATOM 839 N GLN A 59 4.848 -4.824 11.104 1.00 0.00 N ATOM 840 CA GLN A 59 6.027 -4.007 10.802 1.00 0.00 C ATOM 841 C GLN A 59 7.314 -4.851 10.835 1.00 0.00 C ATOM 842 O GLN A 59 8.195 -4.651 9.998 1.00 0.00 O ATOM 843 CB GLN A 59 6.097 -2.812 11.772 1.00 0.00 C ATOM 844 CG GLN A 59 7.177 -1.784 11.378 1.00 0.00 C ATOM 845 CD GLN A 59 7.252 -0.588 12.335 1.00 0.00 C ATOM 846 OE1 GLN A 59 6.389 -0.372 13.181 1.00 0.00 O ATOM 847 NE2 GLN A 59 8.298 0.215 12.257 1.00 0.00 N ATOM 0 H GLN A 59 4.275 -4.461 11.866 1.00 0.00 H new ATOM 0 HA GLN A 59 5.936 -3.617 9.788 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.126 -2.318 11.803 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.301 -3.178 12.778 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.147 -2.279 11.350 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.974 -1.422 10.370 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.021 0.045 11.558 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.383 1.005 12.896 1.00 0.00 H new ATOM 856 N GLY A 60 7.414 -5.810 11.762 1.00 0.00 N ATOM 857 CA GLY A 60 8.569 -6.692 11.867 1.00 0.00 C ATOM 858 C GLY A 60 8.620 -7.708 10.729 1.00 0.00 C ATOM 859 O GLY A 60 9.699 -7.946 10.179 1.00 0.00 O ATOM 0 H GLY A 60 6.692 -5.992 12.459 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.482 -6.096 11.862 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.538 -7.218 12.821 1.00 0.00 H new ATOM 863 N SER A 61 7.470 -8.282 10.363 1.00 0.00 N ATOM 864 CA SER A 61 7.366 -9.245 9.272 1.00 0.00 C ATOM 865 C SER A 61 7.729 -8.569 7.948 1.00 0.00 C ATOM 866 O SER A 61 8.612 -9.036 7.228 1.00 0.00 O ATOM 867 CB SER A 61 5.954 -9.853 9.226 1.00 0.00 C ATOM 868 OG SER A 61 5.577 -10.323 10.512 1.00 0.00 O ATOM 0 H SER A 61 6.580 -8.087 10.822 1.00 0.00 H new ATOM 0 HA SER A 61 8.069 -10.060 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.240 -9.105 8.881 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.927 -10.674 8.509 1.00 0.00 H new ATOM 0 HG SER A 61 5.196 -9.584 11.032 1.00 0.00 H new ATOM 874 N VAL A 62 7.096 -7.433 7.644 1.00 0.00 N ATOM 875 CA VAL A 62 7.332 -6.715 6.404 1.00 0.00 C ATOM 876 C VAL A 62 8.756 -6.155 6.352 1.00 0.00 C ATOM 877 O VAL A 62 9.320 -6.057 5.262 1.00 0.00 O ATOM 878 CB VAL A 62 6.234 -5.648 6.190 1.00 0.00 C ATOM 879 CG1 VAL A 62 6.663 -4.220 6.555 1.00 0.00 C ATOM 880 CG2 VAL A 62 5.767 -5.689 4.737 1.00 0.00 C ATOM 0 H VAL A 62 6.408 -6.992 8.254 1.00 0.00 H new ATOM 0 HA VAL A 62 7.261 -7.407 5.565 1.00 0.00 H new ATOM 0 HB VAL A 62 5.423 -5.901 6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.835 -3.534 6.375 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.944 -4.182 7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.515 -3.928 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.993 -4.938 4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.610 -5.482 4.078 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.365 -6.677 4.512 1.00 0.00 H new ATOM 890 N SER A 63 9.355 -5.808 7.500 1.00 0.00 N ATOM 891 CA SER A 63 10.754 -5.422 7.545 1.00 0.00 C ATOM 892 C SER A 63 11.590 -6.588 7.039 1.00 0.00 C ATOM 893 O SER A 63 12.376 -6.401 6.112 1.00 0.00 O ATOM 894 CB SER A 63 11.190 -5.011 8.953 1.00 0.00 C ATOM 895 OG SER A 63 12.531 -4.572 8.904 1.00 0.00 O ATOM 0 H SER A 63 8.884 -5.790 8.405 1.00 0.00 H new ATOM 0 HA SER A 63 10.902 -4.549 6.909 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.546 -4.216 9.331 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.093 -5.853 9.639 1.00 0.00 H new ATOM 0 HG SER A 63 12.821 -4.304 9.801 1.00 0.00 H new ATOM 901 N ASP A 64 11.423 -7.780 7.619 1.00 0.00 N ATOM 902 CA ASP A 64 12.208 -8.955 7.247 1.00 0.00 C ATOM 903 C ASP A 64 12.028 -9.293 5.764 1.00 0.00 C ATOM 904 O ASP A 64 12.993 -9.680 5.094 1.00 0.00 O ATOM 905 CB ASP A 64 11.803 -10.144 8.126 1.00 0.00 C ATOM 906 CG ASP A 64 12.803 -11.278 8.002 1.00 0.00 C ATOM 907 OD1 ASP A 64 13.922 -11.117 8.548 1.00 0.00 O ATOM 908 OD2 ASP A 64 12.494 -12.301 7.350 1.00 0.00 O ATOM 0 H ASP A 64 10.741 -7.955 8.357 1.00 0.00 H new ATOM 0 HA ASP A 64 13.263 -8.734 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.736 -9.826 9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.813 -10.495 7.836 1.00 0.00 H new ATOM 913 N LEU A 65 10.812 -9.080 5.240 1.00 0.00 N ATOM 914 CA LEU A 65 10.475 -9.266 3.840 1.00 0.00 C ATOM 915 C LEU A 65 11.266 -8.298 2.960 1.00 0.00 C ATOM 916 O LEU A 65 11.963 -8.723 2.041 1.00 0.00 O ATOM 917 CB LEU A 65 8.956 -9.088 3.642 1.00 0.00 C ATOM 918 CG LEU A 65 8.454 -9.993 2.510 1.00 0.00 C ATOM 919 CD1 LEU A 65 8.278 -11.424 3.037 1.00 0.00 C ATOM 920 CD2 LEU A 65 7.131 -9.491 1.930 1.00 0.00 C ATOM 0 H LEU A 65 10.021 -8.765 5.802 1.00 0.00 H new ATOM 0 HA LEU A 65 10.747 -10.278 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.432 -9.328 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.733 -8.047 3.410 1.00 0.00 H new ATOM 0 HG LEU A 65 9.196 -9.977 1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.921 -12.067 2.232 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.235 -11.797 3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.553 -11.425 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.808 -10.158 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.374 -9.471 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.267 -8.486 1.531 1.00 0.00 H new ATOM 932 N LEU A 66 11.164 -6.996 3.240 1.00 0.00 N ATOM 933 CA LEU A 66 11.747 -5.929 2.428 1.00 0.00 C ATOM 934 C LEU A 66 13.263 -5.848 2.555 1.00 0.00 C ATOM 935 O LEU A 66 13.939 -5.373 1.642 1.00 0.00 O ATOM 936 CB LEU A 66 11.116 -4.581 2.825 1.00 0.00 C ATOM 937 CG LEU A 66 9.666 -4.427 2.328 1.00 0.00 C ATOM 938 CD1 LEU A 66 9.030 -3.148 2.875 1.00 0.00 C ATOM 939 CD2 LEU A 66 9.649 -4.389 0.801 1.00 0.00 C ATOM 0 H LEU A 66 10.662 -6.648 4.057 1.00 0.00 H new ATOM 0 HA LEU A 66 11.530 -6.160 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.135 -4.483 3.910 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.721 -3.769 2.421 1.00 0.00 H new ATOM 0 HG LEU A 66 9.090 -5.280 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.007 -3.065 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.023 -3.182 3.964 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.606 -2.284 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.622 -4.280 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.243 -3.545 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.069 -5.315 0.409 1.00 0.00 H new ATOM 951 N SER A 67 13.779 -6.293 3.690 1.00 0.00 N ATOM 952 CA SER A 67 15.198 -6.376 3.998 1.00 0.00 C ATOM 953 C SER A 67 15.851 -7.487 3.180 1.00 0.00 C ATOM 954 O SER A 67 16.791 -7.217 2.426 1.00 0.00 O ATOM 955 CB SER A 67 15.407 -6.610 5.499 1.00 0.00 C ATOM 956 OG SER A 67 14.842 -5.544 6.243 1.00 0.00 O ATOM 0 H SER A 67 13.192 -6.621 4.457 1.00 0.00 H new ATOM 0 HA SER A 67 15.671 -5.430 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.948 -7.553 5.795 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.472 -6.691 5.717 1.00 0.00 H new ATOM 0 HG SER A 67 13.870 -5.657 6.289 1.00 0.00 H new ATOM 962 N ARG A 68 15.384 -8.734 3.330 1.00 0.00 N ATOM 963 CA ARG A 68 16.010 -9.903 2.714 1.00 0.00 C ATOM 964 C ARG A 68 14.961 -10.750 1.996 1.00 0.00 C ATOM 965 O ARG A 68 14.645 -11.844 2.473 1.00 0.00 O ATOM 966 CB ARG A 68 16.788 -10.719 3.753 1.00 0.00 C ATOM 967 CG ARG A 68 17.945 -9.960 4.401 1.00 0.00 C ATOM 968 CD ARG A 68 19.035 -10.917 4.922 1.00 0.00 C ATOM 969 NE ARG A 68 19.039 -11.031 6.385 1.00 0.00 N ATOM 970 CZ ARG A 68 18.150 -11.673 7.148 1.00 0.00 C ATOM 971 NH1 ARG A 68 17.207 -12.447 6.621 1.00 0.00 N ATOM 972 NH2 ARG A 68 18.223 -11.533 8.461 1.00 0.00 N ATOM 0 H ARG A 68 14.558 -8.957 3.885 1.00 0.00 H new ATOM 0 HA ARG A 68 16.729 -9.563 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.100 -11.046 4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.179 -11.618 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 68 18.381 -9.273 3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.567 -9.356 5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 68 18.884 -11.904 4.486 1.00 0.00 H new ATOM 0 HD3 ARG A 68 20.011 -10.566 4.587 1.00 0.00 H new ATOM 0 HE ARG A 68 19.806 -10.569 6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.149 -12.563 5.609 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.541 -12.925 7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.948 -10.944 8.872 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.555 -12.014 9.063 1.00 0.00 H new ATOM 986 N PRO A 69 14.431 -10.288 0.858 1.00 0.00 N ATOM 987 CA PRO A 69 13.438 -11.033 0.101 1.00 0.00 C ATOM 988 C PRO A 69 14.062 -12.323 -0.421 1.00 0.00 C ATOM 989 O PRO A 69 15.116 -12.289 -1.060 1.00 0.00 O ATOM 990 CB PRO A 69 13.032 -10.107 -1.035 1.00 0.00 C ATOM 991 CG PRO A 69 14.269 -9.252 -1.255 1.00 0.00 C ATOM 992 CD PRO A 69 14.806 -9.069 0.157 1.00 0.00 C ATOM 0 HA PRO A 69 12.573 -11.322 0.697 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.765 -10.665 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.167 -9.500 -0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.993 -9.747 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.024 -8.298 -1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 69 15.887 -8.931 0.154 1.00 0.00 H new ATOM 0 HD3 PRO A 69 14.374 -8.189 0.634 1.00 0.00 H new ATOM 1000 N LYS A 70 13.422 -13.467 -0.182 1.00 0.00 N ATOM 1001 CA LYS A 70 13.801 -14.683 -0.884 1.00 0.00 C ATOM 1002 C LYS A 70 13.572 -14.523 -2.400 1.00 0.00 C ATOM 1003 O LYS A 70 12.757 -13.694 -2.821 1.00 0.00 O ATOM 1004 CB LYS A 70 13.028 -15.882 -0.310 1.00 0.00 C ATOM 1005 CG LYS A 70 13.855 -16.629 0.748 1.00 0.00 C ATOM 1006 CD LYS A 70 14.127 -15.875 2.059 1.00 0.00 C ATOM 1007 CE LYS A 70 12.861 -15.770 2.906 1.00 0.00 C ATOM 1008 NZ LYS A 70 13.087 -15.030 4.160 1.00 0.00 N ATOM 0 H LYS A 70 12.653 -13.573 0.480 1.00 0.00 H new ATOM 0 HA LYS A 70 14.865 -14.870 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.094 -15.536 0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.763 -16.566 -1.116 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.341 -17.559 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.813 -16.900 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.904 -16.390 2.624 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.503 -14.876 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.081 -15.273 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.498 -16.771 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.200 -14.985 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.812 -15.517 4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.408 -14.065 3.941 1.00 0.00 H new ATOM 1022 N PRO A 71 14.266 -15.326 -3.226 1.00 0.00 N ATOM 1023 CA PRO A 71 14.019 -15.367 -4.660 1.00 0.00 C ATOM 1024 C PRO A 71 12.560 -15.681 -4.970 1.00 0.00 C ATOM 1025 O PRO A 71 11.924 -16.435 -4.230 1.00 0.00 O ATOM 1026 CB PRO A 71 14.898 -16.488 -5.219 1.00 0.00 C ATOM 1027 CG PRO A 71 15.966 -16.727 -4.155 1.00 0.00 C ATOM 1028 CD PRO A 71 15.379 -16.184 -2.852 1.00 0.00 C ATOM 0 HA PRO A 71 14.246 -14.397 -5.103 1.00 0.00 H new ATOM 0 HB2 PRO A 71 14.316 -17.391 -5.402 1.00 0.00 H new ATOM 0 HB3 PRO A 71 15.347 -16.200 -6.170 1.00 0.00 H new ATOM 0 HG2 PRO A 71 16.201 -17.788 -4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 71 16.894 -16.215 -4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 71 15.043 -16.998 -2.209 1.00 0.00 H new ATOM 0 HD3 PRO A 71 16.129 -15.625 -2.292 1.00 0.00 H new ATOM 1036 N TRP A 72 12.070 -15.232 -6.124 1.00 0.00 N ATOM 1037 CA TRP A 72 10.748 -15.591 -6.618 1.00 0.00 C ATOM 1038 C TRP A 72 10.574 -17.117 -6.675 1.00 0.00 C ATOM 1039 O TRP A 72 9.564 -17.626 -6.186 1.00 0.00 O ATOM 1040 CB TRP A 72 10.524 -14.897 -7.963 1.00 0.00 C ATOM 1041 CG TRP A 72 9.213 -15.166 -8.624 1.00 0.00 C ATOM 1042 CD1 TRP A 72 9.052 -16.067 -9.605 1.00 0.00 C ATOM 1043 CD2 TRP A 72 7.895 -14.563 -8.436 1.00 0.00 C ATOM 1044 NE1 TRP A 72 7.749 -16.072 -10.042 1.00 0.00 N ATOM 1045 CE2 TRP A 72 6.972 -15.204 -9.320 1.00 0.00 C ATOM 1046 CE3 TRP A 72 7.374 -13.533 -7.628 1.00 0.00 C ATOM 1047 CZ2 TRP A 72 5.599 -14.926 -9.326 1.00 0.00 C ATOM 1048 CZ3 TRP A 72 5.999 -13.231 -7.649 1.00 0.00 C ATOM 1049 CH2 TRP A 72 5.105 -13.980 -8.425 1.00 0.00 C ATOM 0 H TRP A 72 12.584 -14.606 -6.744 1.00 0.00 H new ATOM 0 HA TRP A 72 9.977 -15.243 -5.931 1.00 0.00 H new ATOM 0 HB2 TRP A 72 10.621 -13.821 -7.816 1.00 0.00 H new ATOM 0 HB3 TRP A 72 11.321 -15.199 -8.643 1.00 0.00 H new ATOM 0 HD1 TRP A 72 9.836 -16.699 -9.996 1.00 0.00 H new ATOM 0 HE1 TRP A 72 7.403 -16.650 -10.808 1.00 0.00 H new ATOM 0 HE3 TRP A 72 8.036 -12.970 -6.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.937 -15.432 -10.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 5.627 -12.408 -7.057 1.00 0.00 H new ATOM 0 HH2 TRP A 72 4.040 -13.827 -8.327 1.00 0.00 H new ATOM 1060 N HIS A 73 11.550 -17.894 -7.165 1.00 0.00 N ATOM 1061 CA HIS A 73 11.449 -19.357 -7.133 1.00 0.00 C ATOM 1062 C HIS A 73 11.366 -19.927 -5.712 1.00 0.00 C ATOM 1063 O HIS A 73 10.733 -20.962 -5.507 1.00 0.00 O ATOM 1064 CB HIS A 73 12.582 -20.037 -7.913 1.00 0.00 C ATOM 1065 CG HIS A 73 13.924 -20.129 -7.215 1.00 0.00 C ATOM 1066 ND1 HIS A 73 15.097 -19.529 -7.612 1.00 0.00 N ATOM 1067 CD2 HIS A 73 14.223 -20.935 -6.151 1.00 0.00 C ATOM 1068 CE1 HIS A 73 16.071 -19.942 -6.783 1.00 0.00 C ATOM 1069 NE2 HIS A 73 15.589 -20.816 -5.878 1.00 0.00 N ATOM 0 H HIS A 73 12.409 -17.537 -7.584 1.00 0.00 H new ATOM 0 HA HIS A 73 10.506 -19.585 -7.630 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.261 -21.047 -8.170 1.00 0.00 H new ATOM 0 HB3 HIS A 73 12.721 -19.499 -8.851 1.00 0.00 H new ATOM 0 HD2 HIS A 73 13.523 -21.557 -5.613 1.00 0.00 H new ATOM 0 HE1 HIS A 73 17.100 -19.617 -6.835 1.00 0.00 H new ATOM 0 HE2 HIS A 73 16.113 -21.293 -5.144 1.00 0.00 H new ATOM 1077 N LYS A 74 12.017 -19.292 -4.731 1.00 0.00 N ATOM 1078 CA LYS A 74 12.053 -19.751 -3.339 1.00 0.00 C ATOM 1079 C LYS A 74 10.730 -19.463 -2.633 1.00 0.00 C ATOM 1080 O LYS A 74 10.540 -19.898 -1.494 1.00 0.00 O ATOM 1081 CB LYS A 74 13.230 -19.084 -2.601 1.00 0.00 C ATOM 1082 CG LYS A 74 14.503 -19.939 -2.627 1.00 0.00 C ATOM 1083 CD LYS A 74 14.619 -20.940 -1.474 1.00 0.00 C ATOM 1084 CE LYS A 74 15.835 -21.836 -1.767 1.00 0.00 C ATOM 1085 NZ LYS A 74 16.346 -22.539 -0.567 1.00 0.00 N ATOM 0 H LYS A 74 12.542 -18.431 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 74 12.200 -20.831 -3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.438 -18.116 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 74 12.945 -18.895 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 74 14.540 -20.484 -3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 74 15.370 -19.278 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 74 14.745 -20.420 -0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.712 -21.538 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 74 15.562 -22.573 -2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.633 -21.227 -2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.164 -23.125 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.636 -21.841 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.597 -23.145 -0.175 1.00 0.00 H new ATOM 1099 N LEU A 75 9.820 -18.723 -3.259 1.00 0.00 N ATOM 1100 CA LEU A 75 8.522 -18.382 -2.720 1.00 0.00 C ATOM 1101 C LEU A 75 7.492 -19.242 -3.449 1.00 0.00 C ATOM 1102 O LEU A 75 7.493 -19.326 -4.677 1.00 0.00 O ATOM 1103 CB LEU A 75 8.289 -16.883 -2.947 1.00 0.00 C ATOM 1104 CG LEU A 75 9.232 -15.950 -2.160 1.00 0.00 C ATOM 1105 CD1 LEU A 75 9.043 -14.537 -2.696 1.00 0.00 C ATOM 1106 CD2 LEU A 75 8.978 -15.944 -0.650 1.00 0.00 C ATOM 0 H LEU A 75 9.979 -18.334 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 75 8.446 -18.573 -1.650 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.397 -16.671 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.260 -16.646 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 75 10.248 -16.318 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.699 -13.853 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.289 -14.515 -3.758 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.006 -14.231 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.680 -15.265 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.958 -15.613 -0.454 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.115 -16.950 -0.254 1.00 0.00 H new ATOM 1118 N SER A 76 6.613 -19.906 -2.706 1.00 0.00 N ATOM 1119 CA SER A 76 5.426 -20.561 -3.268 1.00 0.00 C ATOM 1120 C SER A 76 4.401 -19.482 -3.663 1.00 0.00 C ATOM 1121 O SER A 76 4.650 -18.307 -3.412 1.00 0.00 O ATOM 1122 CB SER A 76 4.851 -21.499 -2.201 1.00 0.00 C ATOM 1123 OG SER A 76 5.845 -22.338 -1.636 1.00 0.00 O ATOM 0 H SER A 76 6.699 -20.008 -1.695 1.00 0.00 H new ATOM 0 HA SER A 76 5.677 -21.139 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.385 -20.908 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.067 -22.114 -2.644 1.00 0.00 H new ATOM 0 HG SER A 76 5.437 -22.919 -0.960 1.00 0.00 H new ATOM 1129 N LEU A 77 3.212 -19.844 -4.162 1.00 0.00 N ATOM 1130 CA LEU A 77 2.113 -18.891 -4.391 1.00 0.00 C ATOM 1131 C LEU A 77 1.882 -17.984 -3.173 1.00 0.00 C ATOM 1132 O LEU A 77 1.990 -16.768 -3.261 1.00 0.00 O ATOM 1133 CB LEU A 77 0.812 -19.613 -4.783 1.00 0.00 C ATOM 1134 CG LEU A 77 0.871 -20.378 -6.123 1.00 0.00 C ATOM 1135 CD1 LEU A 77 -0.486 -21.026 -6.378 1.00 0.00 C ATOM 1136 CD2 LEU A 77 1.219 -19.488 -7.316 1.00 0.00 C ATOM 0 H LEU A 77 2.983 -20.804 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 77 2.413 -18.258 -5.226 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.551 -20.316 -3.992 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.008 -18.879 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 77 1.666 -21.119 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.458 -21.570 -7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.717 -21.717 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.254 -20.254 -6.427 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.243 -20.090 -8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.466 -18.706 -7.419 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.196 -19.032 -7.157 1.00 0.00 H new ATOM 1148 N LYS A 78 1.641 -18.582 -2.005 1.00 0.00 N ATOM 1149 CA LYS A 78 1.575 -17.906 -0.709 1.00 0.00 C ATOM 1150 C LYS A 78 2.813 -17.070 -0.369 1.00 0.00 C ATOM 1151 O LYS A 78 2.717 -16.049 0.299 1.00 0.00 O ATOM 1152 CB LYS A 78 1.252 -18.887 0.425 1.00 0.00 C ATOM 1153 CG LYS A 78 2.091 -20.167 0.499 1.00 0.00 C ATOM 1154 CD LYS A 78 1.649 -21.223 -0.523 1.00 0.00 C ATOM 1155 CE LYS A 78 2.076 -22.649 -0.194 1.00 0.00 C ATOM 1156 NZ LYS A 78 1.358 -23.220 0.958 1.00 0.00 N ATOM 0 H LYS A 78 1.481 -19.587 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 78 0.754 -17.196 -0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.359 -18.357 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.204 -19.174 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.139 -19.920 0.330 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.020 -20.586 1.503 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.563 -21.194 -0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.052 -20.954 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.910 -23.281 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.147 -22.662 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.631 -24.216 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.602 -22.688 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.333 -23.159 0.793 1.00 0.00 H new ATOM 1170 N GLY A 79 3.984 -17.498 -0.829 1.00 0.00 N ATOM 1171 CA GLY A 79 5.215 -16.733 -0.725 1.00 0.00 C ATOM 1172 C GLY A 79 5.159 -15.453 -1.548 1.00 0.00 C ATOM 1173 O GLY A 79 5.634 -14.408 -1.118 1.00 0.00 O ATOM 0 H GLY A 79 4.103 -18.400 -1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.401 -16.485 0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.052 -17.345 -1.061 1.00 0.00 H new ATOM 1177 N ARG A 80 4.626 -15.553 -2.758 1.00 0.00 N ATOM 1178 CA ARG A 80 4.642 -14.532 -3.788 1.00 0.00 C ATOM 1179 C ARG A 80 3.501 -13.539 -3.606 1.00 0.00 C ATOM 1180 O ARG A 80 3.651 -12.397 -4.022 1.00 0.00 O ATOM 1181 CB ARG A 80 4.534 -15.252 -5.134 1.00 0.00 C ATOM 1182 CG ARG A 80 5.766 -16.109 -5.448 1.00 0.00 C ATOM 1183 CD ARG A 80 5.449 -17.126 -6.556 1.00 0.00 C ATOM 1184 NE ARG A 80 6.648 -17.876 -6.957 1.00 0.00 N ATOM 1185 CZ ARG A 80 6.925 -18.371 -8.169 1.00 0.00 C ATOM 1186 NH1 ARG A 80 6.017 -18.439 -9.131 1.00 0.00 N ATOM 1187 NH2 ARG A 80 8.154 -18.803 -8.401 1.00 0.00 N ATOM 0 H ARG A 80 4.144 -16.399 -3.061 1.00 0.00 H new ATOM 0 HA ARG A 80 5.563 -13.952 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.647 -15.885 -5.132 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.398 -14.515 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.591 -15.469 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.091 -16.632 -4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.684 -17.820 -6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.037 -16.607 -7.421 1.00 0.00 H new ATOM 0 HE ARG A 80 7.346 -18.037 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.068 -18.107 -8.961 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.267 -18.823 -10.042 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.859 -18.753 -7.666 1.00 0.00 H new ATOM 0 HH22 ARG A 80 8.396 -19.186 -9.315 1.00 0.00 H new ATOM 1201 N GLU A 81 2.414 -13.949 -2.943 1.00 0.00 N ATOM 1202 CA GLU A 81 1.211 -13.180 -2.628 1.00 0.00 C ATOM 1203 C GLU A 81 1.526 -11.706 -2.341 1.00 0.00 C ATOM 1204 O GLU A 81 1.049 -10.851 -3.088 1.00 0.00 O ATOM 1205 CB GLU A 81 0.464 -13.848 -1.443 1.00 0.00 C ATOM 1206 CG GLU A 81 -0.992 -14.200 -1.699 1.00 0.00 C ATOM 1207 CD GLU A 81 -1.603 -14.916 -0.485 1.00 0.00 C ATOM 1208 OE1 GLU A 81 -1.434 -16.153 -0.354 1.00 0.00 O ATOM 1209 OE2 GLU A 81 -2.238 -14.246 0.370 1.00 0.00 O ATOM 0 H GLU A 81 2.351 -14.902 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 81 0.561 -13.185 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.996 -14.759 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.512 -13.179 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.557 -13.293 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.067 -14.839 -2.579 1.00 0.00 H new ATOM 1216 N PRO A 82 2.343 -11.375 -1.316 1.00 0.00 N ATOM 1217 CA PRO A 82 2.568 -9.988 -0.976 1.00 0.00 C ATOM 1218 C PRO A 82 3.348 -9.267 -2.072 1.00 0.00 C ATOM 1219 O PRO A 82 2.992 -8.153 -2.443 1.00 0.00 O ATOM 1220 CB PRO A 82 3.325 -9.989 0.359 1.00 0.00 C ATOM 1221 CG PRO A 82 3.974 -11.368 0.428 1.00 0.00 C ATOM 1222 CD PRO A 82 3.030 -12.254 -0.381 1.00 0.00 C ATOM 0 HA PRO A 82 1.626 -9.447 -0.883 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.072 -9.196 0.392 1.00 0.00 H new ATOM 0 HB3 PRO A 82 2.649 -9.826 1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.978 -11.360 0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.066 -11.716 1.457 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.584 -13.029 -0.911 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.318 -12.760 0.271 1.00 0.00 H new ATOM 1230 N PHE A 83 4.393 -9.884 -2.624 1.00 0.00 N ATOM 1231 CA PHE A 83 5.234 -9.245 -3.622 1.00 0.00 C ATOM 1232 C PHE A 83 4.472 -8.940 -4.916 1.00 0.00 C ATOM 1233 O PHE A 83 4.822 -7.979 -5.606 1.00 0.00 O ATOM 1234 CB PHE A 83 6.466 -10.101 -3.923 1.00 0.00 C ATOM 1235 CG PHE A 83 7.366 -10.434 -2.756 1.00 0.00 C ATOM 1236 CD1 PHE A 83 7.092 -11.535 -1.925 1.00 0.00 C ATOM 1237 CD2 PHE A 83 8.532 -9.678 -2.551 1.00 0.00 C ATOM 1238 CE1 PHE A 83 7.978 -11.879 -0.889 1.00 0.00 C ATOM 1239 CE2 PHE A 83 9.409 -10.018 -1.514 1.00 0.00 C ATOM 1240 CZ PHE A 83 9.150 -11.129 -0.694 1.00 0.00 C ATOM 0 H PHE A 83 4.675 -10.836 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 83 5.556 -8.293 -3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.129 -11.036 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.062 -9.585 -4.676 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.197 -12.119 -2.083 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.751 -8.837 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 83 7.758 -12.718 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.293 -9.421 -1.343 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.848 -11.405 0.082 1.00 0.00 H new ATOM 1250 N VAL A 84 3.450 -9.723 -5.270 1.00 0.00 N ATOM 1251 CA VAL A 84 2.575 -9.393 -6.391 1.00 0.00 C ATOM 1252 C VAL A 84 1.756 -8.160 -6.024 1.00 0.00 C ATOM 1253 O VAL A 84 1.724 -7.215 -6.812 1.00 0.00 O ATOM 1254 CB VAL A 84 1.713 -10.607 -6.789 1.00 0.00 C ATOM 1255 CG1 VAL A 84 0.696 -10.288 -7.895 1.00 0.00 C ATOM 1256 CG2 VAL A 84 2.638 -11.719 -7.299 1.00 0.00 C ATOM 0 H VAL A 84 3.210 -10.592 -4.793 1.00 0.00 H new ATOM 0 HA VAL A 84 3.162 -9.151 -7.277 1.00 0.00 H new ATOM 0 HB VAL A 84 1.155 -10.909 -5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.121 -11.184 -8.130 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.022 -9.503 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.223 -9.951 -8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.042 -12.586 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.195 -11.360 -8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.335 -12.002 -6.511 1.00 0.00 H new ATOM 1266 N ARG A 85 1.151 -8.115 -4.827 1.00 0.00 N ATOM 1267 CA ARG A 85 0.422 -6.928 -4.397 1.00 0.00 C ATOM 1268 C ARG A 85 1.344 -5.700 -4.452 1.00 0.00 C ATOM 1269 O ARG A 85 0.920 -4.677 -4.977 1.00 0.00 O ATOM 1270 CB ARG A 85 -0.191 -7.111 -2.996 1.00 0.00 C ATOM 1271 CG ARG A 85 -1.322 -8.152 -2.923 1.00 0.00 C ATOM 1272 CD ARG A 85 -1.813 -8.261 -1.472 1.00 0.00 C ATOM 1273 NE ARG A 85 -2.988 -9.133 -1.301 1.00 0.00 N ATOM 1274 CZ ARG A 85 -4.272 -8.727 -1.315 1.00 0.00 C ATOM 1275 NH1 ARG A 85 -4.622 -7.488 -1.639 1.00 0.00 N ATOM 1276 NH2 ARG A 85 -5.247 -9.577 -1.030 1.00 0.00 N ATOM 0 H ARG A 85 1.155 -8.880 -4.152 1.00 0.00 H new ATOM 0 HA ARG A 85 -0.410 -6.769 -5.083 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.599 -7.402 -2.303 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.576 -6.150 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -2.144 -7.861 -3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -0.965 -9.121 -3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.000 -8.638 -0.852 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.057 -7.264 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.814 -10.128 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.907 -6.805 -1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.606 -7.219 -1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.027 -10.546 -0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.217 -9.263 -1.042 1.00 0.00 H new ATOM 1290 N MET A 86 2.602 -5.790 -3.992 1.00 0.00 N ATOM 1291 CA MET A 86 3.583 -4.723 -4.068 1.00 0.00 C ATOM 1292 C MET A 86 3.797 -4.232 -5.497 1.00 0.00 C ATOM 1293 O MET A 86 3.782 -3.024 -5.709 1.00 0.00 O ATOM 1294 CB MET A 86 4.914 -5.205 -3.490 1.00 0.00 C ATOM 1295 CG MET A 86 4.853 -5.482 -1.987 1.00 0.00 C ATOM 1296 SD MET A 86 6.416 -5.257 -1.104 1.00 0.00 S ATOM 1297 CE MET A 86 7.161 -6.836 -1.468 1.00 0.00 C ATOM 0 H MET A 86 2.963 -6.634 -3.547 1.00 0.00 H new ATOM 0 HA MET A 86 3.198 -3.885 -3.486 1.00 0.00 H new ATOM 0 HB2 MET A 86 5.220 -6.114 -4.008 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.680 -4.454 -3.684 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.104 -4.827 -1.542 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.511 -6.506 -1.835 1.00 0.00 H new ATOM 0 HE1 MET A 86 8.105 -6.925 -0.931 1.00 0.00 H new ATOM 0 HE2 MET A 86 6.489 -7.636 -1.156 1.00 0.00 H new ATOM 0 HE3 MET A 86 7.345 -6.913 -2.540 1.00 0.00 H new ATOM 1307 N GLN A 87 4.026 -5.138 -6.457 1.00 0.00 N ATOM 1308 CA GLN A 87 4.191 -4.766 -7.858 1.00 0.00 C ATOM 1309 C GLN A 87 2.976 -3.968 -8.345 1.00 0.00 C ATOM 1310 O GLN A 87 3.143 -2.852 -8.827 1.00 0.00 O ATOM 1311 CB GLN A 87 4.481 -6.001 -8.714 1.00 0.00 C ATOM 1312 CG GLN A 87 4.914 -5.621 -10.138 1.00 0.00 C ATOM 1313 CD GLN A 87 6.316 -4.994 -10.225 1.00 0.00 C ATOM 1314 OE1 GLN A 87 6.659 -3.984 -9.612 1.00 0.00 O ATOM 1315 NE2 GLN A 87 7.197 -5.616 -10.977 1.00 0.00 N ATOM 0 H GLN A 87 4.101 -6.140 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 87 5.057 -4.111 -7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.264 -6.594 -8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.591 -6.628 -8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.888 -6.513 -10.764 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.189 -4.920 -10.551 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.927 -6.455 -11.491 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.150 -5.260 -11.046 1.00 0.00 H new ATOM 1324 N LEU A 88 1.757 -4.505 -8.201 1.00 0.00 N ATOM 1325 CA LEU A 88 0.561 -3.813 -8.690 1.00 0.00 C ATOM 1326 C LEU A 88 0.293 -2.522 -7.908 1.00 0.00 C ATOM 1327 O LEU A 88 -0.288 -1.605 -8.477 1.00 0.00 O ATOM 1328 CB LEU A 88 -0.690 -4.711 -8.637 1.00 0.00 C ATOM 1329 CG LEU A 88 -0.856 -5.748 -9.767 1.00 0.00 C ATOM 1330 CD1 LEU A 88 -0.756 -5.139 -11.172 1.00 0.00 C ATOM 1331 CD2 LEU A 88 0.117 -6.921 -9.624 1.00 0.00 C ATOM 0 H LEU A 88 1.576 -5.405 -7.756 1.00 0.00 H new ATOM 0 HA LEU A 88 0.763 -3.561 -9.731 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.684 -5.244 -7.686 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.569 -4.067 -8.636 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.871 -6.128 -9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.882 -5.923 -11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.536 -4.388 -11.300 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.221 -4.672 -11.297 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.038 -7.624 -10.442 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.141 -6.550 -9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.058 -7.426 -8.674 1.00 0.00 H new ATOM 1343 N TRP A 89 0.703 -2.414 -6.636 1.00 0.00 N ATOM 1344 CA TRP A 89 0.607 -1.163 -5.895 1.00 0.00 C ATOM 1345 C TRP A 89 1.558 -0.152 -6.523 1.00 0.00 C ATOM 1346 O TRP A 89 1.146 0.952 -6.838 1.00 0.00 O ATOM 1347 CB TRP A 89 0.898 -1.371 -4.400 1.00 0.00 C ATOM 1348 CG TRP A 89 0.815 -0.129 -3.558 1.00 0.00 C ATOM 1349 CD1 TRP A 89 -0.304 0.362 -2.980 1.00 0.00 C ATOM 1350 CD2 TRP A 89 1.881 0.792 -3.170 1.00 0.00 C ATOM 1351 NE1 TRP A 89 -0.015 1.527 -2.301 1.00 0.00 N ATOM 1352 CE2 TRP A 89 1.333 1.799 -2.319 1.00 0.00 C ATOM 1353 CE3 TRP A 89 3.262 0.868 -3.440 1.00 0.00 C ATOM 1354 CZ2 TRP A 89 2.115 2.803 -1.730 1.00 0.00 C ATOM 1355 CZ3 TRP A 89 4.065 1.861 -2.847 1.00 0.00 C ATOM 1356 CH2 TRP A 89 3.497 2.820 -1.987 1.00 0.00 C ATOM 0 H TRP A 89 1.105 -3.185 -6.103 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.412 -0.780 -5.955 1.00 0.00 H new ATOM 0 HB2 TRP A 89 0.195 -2.106 -4.007 1.00 0.00 H new ATOM 0 HB3 TRP A 89 1.896 -1.797 -4.295 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -1.282 -0.092 -3.041 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.713 2.113 -1.843 1.00 0.00 H new ATOM 0 HE3 TRP A 89 3.712 0.153 -4.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 1.664 3.548 -1.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.125 1.887 -3.053 1.00 0.00 H new ATOM 0 HH2 TRP A 89 4.123 3.569 -1.525 1.00 0.00 H new ATOM 1367 N LEU A 90 2.818 -0.512 -6.776 1.00 0.00 N ATOM 1368 CA LEU A 90 3.766 0.381 -7.445 1.00 0.00 C ATOM 1369 C LEU A 90 3.236 0.855 -8.806 1.00 0.00 C ATOM 1370 O LEU A 90 3.532 1.966 -9.236 1.00 0.00 O ATOM 1371 CB LEU A 90 5.106 -0.329 -7.638 1.00 0.00 C ATOM 1372 CG LEU A 90 5.906 -0.467 -6.335 1.00 0.00 C ATOM 1373 CD1 LEU A 90 7.015 -1.497 -6.582 1.00 0.00 C ATOM 1374 CD2 LEU A 90 6.446 0.903 -5.890 1.00 0.00 C ATOM 0 H LEU A 90 3.207 -1.421 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 90 3.899 1.257 -6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.929 -1.320 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU A 90 5.701 0.222 -8.366 1.00 0.00 H new ATOM 0 HG LEU A 90 5.278 -0.818 -5.516 1.00 0.00 H new ATOM 0 HD11 LEU A 90 7.605 -1.621 -5.674 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.569 -2.453 -6.858 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.660 -1.151 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.011 0.788 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.097 1.307 -6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.613 1.586 -5.724 1.00 0.00 H new ATOM 1386 N ASN A 91 2.448 0.002 -9.459 1.00 0.00 N ATOM 1387 CA ASN A 91 1.835 0.188 -10.768 1.00 0.00 C ATOM 1388 C ASN A 91 0.536 1.017 -10.732 1.00 0.00 C ATOM 1389 O ASN A 91 -0.162 1.073 -11.746 1.00 0.00 O ATOM 1390 CB ASN A 91 1.535 -1.220 -11.301 1.00 0.00 C ATOM 1391 CG ASN A 91 1.365 -1.288 -12.802 1.00 0.00 C ATOM 1392 OD1 ASN A 91 2.347 -1.275 -13.538 1.00 0.00 O ATOM 1393 ND2 ASN A 91 0.150 -1.482 -13.274 1.00 0.00 N ATOM 0 H ASN A 91 2.205 -0.903 -9.055 1.00 0.00 H new ATOM 0 HA ASN A 91 2.519 0.750 -11.404 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.344 -1.888 -11.007 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.627 -1.591 -10.826 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.008 -1.626 -14.274 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -0.649 -1.488 -12.640 1.00 0.00 H new ATOM 1400 N ASP A 92 0.144 1.593 -9.590 1.00 0.00 N ATOM 1401 CA ASP A 92 -1.154 2.257 -9.409 1.00 0.00 C ATOM 1402 C ASP A 92 -0.940 3.767 -9.242 1.00 0.00 C ATOM 1403 O ASP A 92 -0.159 4.171 -8.383 1.00 0.00 O ATOM 1404 CB ASP A 92 -1.895 1.666 -8.185 1.00 0.00 C ATOM 1405 CG ASP A 92 -3.370 1.343 -8.417 1.00 0.00 C ATOM 1406 OD1 ASP A 92 -3.841 1.283 -9.576 1.00 0.00 O ATOM 1407 OD2 ASP A 92 -4.096 1.148 -7.413 1.00 0.00 O ATOM 0 H ASP A 92 0.727 1.612 -8.753 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.772 2.086 -10.290 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -1.384 0.755 -7.875 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.819 2.372 -7.358 1.00 0.00 H new ATOM 1412 N PRO A 93 -1.622 4.645 -9.994 1.00 0.00 N ATOM 1413 CA PRO A 93 -1.292 6.068 -10.039 1.00 0.00 C ATOM 1414 C PRO A 93 -1.491 6.776 -8.696 1.00 0.00 C ATOM 1415 O PRO A 93 -0.715 7.672 -8.345 1.00 0.00 O ATOM 1416 CB PRO A 93 -2.182 6.661 -11.136 1.00 0.00 C ATOM 1417 CG PRO A 93 -3.300 5.639 -11.338 1.00 0.00 C ATOM 1418 CD PRO A 93 -2.646 4.322 -10.963 1.00 0.00 C ATOM 0 HA PRO A 93 -0.233 6.208 -10.256 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -2.583 7.630 -10.838 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.621 6.818 -12.057 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -4.161 5.855 -10.705 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -3.656 5.632 -12.368 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.376 3.630 -10.543 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.215 3.837 -11.839 1.00 0.00 H new ATOM 1426 N HIS A 94 -2.515 6.370 -7.936 1.00 0.00 N ATOM 1427 CA HIS A 94 -2.860 6.926 -6.634 1.00 0.00 C ATOM 1428 C HIS A 94 -2.293 6.047 -5.520 1.00 0.00 C ATOM 1429 O HIS A 94 -2.806 6.086 -4.414 1.00 0.00 O ATOM 1430 CB HIS A 94 -4.391 7.093 -6.528 1.00 0.00 C ATOM 1431 CG HIS A 94 -4.893 8.247 -7.363 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -5.457 9.417 -6.897 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -4.815 8.341 -8.726 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -5.729 10.193 -7.959 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.317 9.594 -9.094 1.00 0.00 N ATOM 0 H HIS A 94 -3.143 5.620 -8.225 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.413 7.914 -6.522 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -4.879 6.173 -6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -4.667 7.253 -5.486 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.435 7.585 -9.396 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -6.209 11.159 -7.910 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -5.362 9.979 -10.037 1.00 0.00 H new ATOM 1443 N ASN A 95 -1.292 5.208 -5.784 1.00 0.00 N ATOM 1444 CA ASN A 95 -0.774 4.242 -4.819 1.00 0.00 C ATOM 1445 C ASN A 95 -0.419 4.848 -3.461 1.00 0.00 C ATOM 1446 O ASN A 95 -0.991 4.440 -2.449 1.00 0.00 O ATOM 1447 CB ASN A 95 0.370 3.435 -5.433 1.00 0.00 C ATOM 1448 CG ASN A 95 1.609 4.172 -5.939 1.00 0.00 C ATOM 1449 OD1 ASN A 95 1.791 5.375 -5.769 1.00 0.00 O ATOM 1450 ND2 ASN A 95 2.496 3.445 -6.586 1.00 0.00 N ATOM 0 H ASN A 95 -0.813 5.181 -6.684 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.588 3.553 -4.593 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.699 2.711 -4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.039 2.867 -6.269 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.343 3.880 -6.951 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.336 2.447 -6.722 1.00 0.00 H new ATOM 1457 N VAL A 96 0.479 5.827 -3.412 1.00 0.00 N ATOM 1458 CA VAL A 96 0.829 6.538 -2.206 1.00 0.00 C ATOM 1459 C VAL A 96 -0.355 7.383 -1.752 1.00 0.00 C ATOM 1460 O VAL A 96 -0.659 7.415 -0.565 1.00 0.00 O ATOM 1461 CB VAL A 96 2.066 7.399 -2.488 1.00 0.00 C ATOM 1462 CG1 VAL A 96 2.322 8.296 -1.283 1.00 0.00 C ATOM 1463 CG2 VAL A 96 3.295 6.524 -2.752 1.00 0.00 C ATOM 0 H VAL A 96 0.991 6.149 -4.234 1.00 0.00 H new ATOM 0 HA VAL A 96 1.066 5.843 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 96 1.885 8.002 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 96 3.200 8.915 -1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.456 8.936 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.494 7.680 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.158 7.159 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.494 5.903 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 96 3.109 5.886 -3.616 1.00 0.00 H new ATOM 1473 N GLU A 97 -1.014 8.062 -2.686 1.00 0.00 N ATOM 1474 CA GLU A 97 -2.139 8.955 -2.434 1.00 0.00 C ATOM 1475 C GLU A 97 -3.196 8.263 -1.563 1.00 0.00 C ATOM 1476 O GLU A 97 -3.636 8.807 -0.544 1.00 0.00 O ATOM 1477 CB GLU A 97 -2.713 9.407 -3.797 1.00 0.00 C ATOM 1478 CG GLU A 97 -2.603 10.919 -3.996 1.00 0.00 C ATOM 1479 CD GLU A 97 -3.470 11.681 -3.002 1.00 0.00 C ATOM 1480 OE1 GLU A 97 -4.688 11.402 -2.947 1.00 0.00 O ATOM 1481 OE2 GLU A 97 -2.888 12.494 -2.244 1.00 0.00 O ATOM 0 H GLU A 97 -0.770 8.003 -3.675 1.00 0.00 H new ATOM 0 HA GLU A 97 -1.810 9.834 -1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.182 8.897 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -3.759 9.108 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.563 11.227 -3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.903 11.175 -5.012 1.00 0.00 H new ATOM 1488 N LYS A 98 -3.591 7.056 -1.961 1.00 0.00 N ATOM 1489 CA LYS A 98 -4.591 6.220 -1.326 1.00 0.00 C ATOM 1490 C LYS A 98 -4.014 5.548 -0.084 1.00 0.00 C ATOM 1491 O LYS A 98 -4.672 5.560 0.952 1.00 0.00 O ATOM 1492 CB LYS A 98 -5.115 5.214 -2.355 1.00 0.00 C ATOM 1493 CG LYS A 98 -6.489 4.698 -1.912 1.00 0.00 C ATOM 1494 CD LYS A 98 -7.479 4.617 -3.069 1.00 0.00 C ATOM 1495 CE LYS A 98 -7.105 3.511 -4.055 1.00 0.00 C ATOM 1496 NZ LYS A 98 -8.073 3.400 -5.158 1.00 0.00 N ATOM 0 H LYS A 98 -3.192 6.613 -2.789 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.432 6.823 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -5.190 5.686 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.417 4.383 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.376 3.711 -1.464 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -6.889 5.355 -1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -8.480 4.434 -2.679 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.510 5.574 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.114 3.709 -4.462 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.048 2.559 -3.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -7.780 2.638 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -9.015 3.185 -4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.110 4.299 -5.680 1.00 0.00 H new ATOM 1510 N LEU A 99 -2.767 5.056 -0.124 1.00 0.00 N ATOM 1511 CA LEU A 99 -2.079 4.545 1.064 1.00 0.00 C ATOM 1512 C LEU A 99 -2.075 5.587 2.184 1.00 0.00 C ATOM 1513 O LEU A 99 -2.269 5.244 3.343 1.00 0.00 O ATOM 1514 CB LEU A 99 -0.633 4.114 0.745 1.00 0.00 C ATOM 1515 CG LEU A 99 0.150 3.633 1.987 1.00 0.00 C ATOM 1516 CD1 LEU A 99 -0.406 2.332 2.555 1.00 0.00 C ATOM 1517 CD2 LEU A 99 1.616 3.389 1.644 1.00 0.00 C ATOM 0 H LEU A 99 -2.212 5.002 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.630 3.666 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.655 3.314 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.103 4.952 0.292 1.00 0.00 H new ATOM 0 HG LEU A 99 0.049 4.426 2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.178 2.036 3.426 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.446 2.478 2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.349 1.550 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 99 2.147 3.051 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.686 2.626 0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.064 4.315 1.284 1.00 0.00 H new ATOM 1529 N ARG A 100 -1.835 6.857 1.875 1.00 0.00 N ATOM 1530 CA ARG A 100 -1.877 7.911 2.872 1.00 0.00 C ATOM 1531 C ARG A 100 -3.301 8.147 3.361 1.00 0.00 C ATOM 1532 O ARG A 100 -3.478 8.470 4.534 1.00 0.00 O ATOM 1533 CB ARG A 100 -1.299 9.205 2.298 1.00 0.00 C ATOM 1534 CG ARG A 100 0.231 9.172 2.219 1.00 0.00 C ATOM 1535 CD ARG A 100 0.862 10.544 1.942 1.00 0.00 C ATOM 1536 NE ARG A 100 1.276 11.219 3.187 1.00 0.00 N ATOM 1537 CZ ARG A 100 0.516 11.948 4.010 1.00 0.00 C ATOM 1538 NH1 ARG A 100 -0.761 12.169 3.733 1.00 0.00 N ATOM 1539 NH2 ARG A 100 1.027 12.439 5.130 1.00 0.00 N ATOM 0 H ARG A 100 -1.608 7.179 0.934 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.272 7.596 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -1.709 9.373 1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -1.611 10.046 2.917 1.00 0.00 H new ATOM 0 HG2 ARG A 100 0.627 8.782 3.157 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.531 8.478 1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.727 10.421 1.290 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.148 11.171 1.409 1.00 0.00 H new ATOM 0 HE ARG A 100 2.256 11.117 3.450 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -1.173 11.781 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -1.332 12.727 4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.003 12.261 5.366 1.00 0.00 H new ATOM 0 HH22 ARG A 100 0.444 12.995 5.756 1.00 0.00 H new ATOM 1553 N ASP A 101 -4.304 7.987 2.497 1.00 0.00 N ATOM 1554 CA ASP A 101 -5.704 8.158 2.883 1.00 0.00 C ATOM 1555 C ASP A 101 -6.129 7.098 3.903 1.00 0.00 C ATOM 1556 O ASP A 101 -6.904 7.409 4.807 1.00 0.00 O ATOM 1557 CB ASP A 101 -6.611 8.167 1.648 1.00 0.00 C ATOM 1558 CG ASP A 101 -7.972 8.819 1.909 1.00 0.00 C ATOM 1559 OD1 ASP A 101 -8.090 9.683 2.809 1.00 0.00 O ATOM 1560 OD2 ASP A 101 -8.920 8.511 1.149 1.00 0.00 O ATOM 0 H ASP A 101 -4.170 7.737 1.517 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.810 9.127 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.109 8.698 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.764 7.142 1.309 1.00 0.00 H new