USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 816 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 104 ASN : amide:sc= 0.801 K(o=1.7,f=-2.1) USER MOD Set 1.2: A 106 THR OG1 : rot -49:sc= 0.881 USER MOD Set 2.1: A 83 MET CE :methyl 168:sc= -2.84 (180deg=-2.76!) USER MOD Set 2.2: A 111 SER OG : rot 60:sc= 0.234 USER MOD Set 3.1: A 66 SER OG : rot -159:sc= 0.811 USER MOD Set 3.2: A 68 GLN : amide:sc= -0.0957 K(o=0.23,f=-5.7!) USER MOD Set 3.3: A 71 HIS : no HD1:sc= -0.486 K(o=0.23,f=-1.9) USER MOD Single : A 17 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 109:sc= 1.06 USER MOD Single : A 30 THR OG1 : rot -120:sc= 0.0534 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.68 F(o=-3.2!,f=-1.7) USER MOD Single : A 40 LYS NZ :NH3+ -139:sc= -1.49! (180deg=-3.61!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.000544 USER MOD Single : A 49 CYS SG : rot -162:sc= -0.608 USER MOD Single : A 50 THR OG1 : rot 14:sc= 0.0938 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -0.164 F(o=-1.7,f=-0.16) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 59 SER OG : rot -77:sc= -0.318 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0628 X(o=-0.063,f=-0.52) USER MOD Single : A 67 MET CE :methyl 149:sc= -0.165 (180deg=-0.821) USER MOD Single : A 69 ASN : amide:sc= -0.201 K(o=-0.2,f=-3!) USER MOD Single : A 72 GLN : amide:sc= -6.27! C(o=-6.3!,f=-10!) USER MOD Single : A 75 ASN : amide:sc= 1.35 K(o=1.3,f=-6.5!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.3!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 100:sc= -0.797 USER MOD Single : A 88 MET CE :methyl -111:sc= -1.84 (180deg=-4.97!) USER MOD Single : A 89 ASN : amide:sc= -0.0136 K(o=-0.014,f=-0.62) USER MOD Single : A 97 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.17) USER MOD Single : A 102 SER OG : rot -10:sc= 0.354 USER MOD Single : A 105 MET CE :methyl 163:sc= -1.98 (180deg=-4.03!) USER MOD Single : A 107 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.19) USER MOD Single : A 109 GLN : amide:sc= -0.164 K(o=-0.16,f=-2!) USER MOD Single : A 118 LYS NZ :NH3+ 146:sc= 1.09 (180deg=-1.38) USER MOD ----------------------------------------------------------------- ATOM 196 N ASP A 15 6.056 -11.925 9.567 1.00 0.00 N ATOM 197 CA ASP A 15 7.238 -12.776 9.515 1.00 0.00 C ATOM 198 C ASP A 15 8.508 -11.937 9.419 1.00 0.00 C ATOM 199 O ASP A 15 8.556 -10.915 8.736 1.00 0.00 O ATOM 200 CB ASP A 15 7.153 -13.733 8.325 1.00 0.00 C ATOM 201 CG ASP A 15 7.859 -15.049 8.587 1.00 0.00 C ATOM 202 OD1 ASP A 15 7.310 -15.875 9.346 1.00 0.00 O ATOM 203 OD2 ASP A 15 8.960 -15.252 8.034 1.00 0.00 O ATOM 0 HA ASP A 15 7.277 -13.357 10.436 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.106 -13.926 8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.592 -13.257 7.448 1.00 0.00 H new ATOM 208 N PRO A 16 9.564 -12.378 10.121 1.00 0.00 N ATOM 209 CA PRO A 16 10.854 -11.682 10.131 1.00 0.00 C ATOM 210 C PRO A 16 11.578 -11.782 8.793 1.00 0.00 C ATOM 211 O PRO A 16 12.592 -11.121 8.575 1.00 0.00 O ATOM 212 CB PRO A 16 11.642 -12.411 11.222 1.00 0.00 C ATOM 213 CG PRO A 16 11.036 -13.771 11.282 1.00 0.00 C ATOM 214 CD PRO A 16 9.579 -13.589 10.958 1.00 0.00 C ATOM 0 HA PRO A 16 10.739 -10.613 10.311 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.703 -12.461 10.978 1.00 0.00 H new ATOM 0 HB3 PRO A 16 11.559 -11.898 12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 16 11.514 -14.443 10.569 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.164 -14.212 12.270 1.00 0.00 H new ATOM 0 HD2 PRO A 16 9.175 -14.450 10.426 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.980 -13.462 11.860 1.00 0.00 H new ATOM 222 N GLN A 17 11.049 -12.613 7.900 1.00 0.00 N ATOM 223 CA GLN A 17 11.645 -12.799 6.583 1.00 0.00 C ATOM 224 C GLN A 17 10.935 -11.946 5.537 1.00 0.00 C ATOM 225 O GLN A 17 11.565 -11.403 4.630 1.00 0.00 O ATOM 226 CB GLN A 17 11.591 -14.273 6.180 1.00 0.00 C ATOM 227 CG GLN A 17 10.240 -14.706 5.635 1.00 0.00 C ATOM 228 CD GLN A 17 10.007 -16.197 5.769 1.00 0.00 C ATOM 229 OE1 GLN A 17 10.951 -16.977 5.893 1.00 0.00 O ATOM 230 NE2 GLN A 17 8.743 -16.604 5.746 1.00 0.00 N ATOM 0 H GLN A 17 10.209 -13.168 8.065 1.00 0.00 H new ATOM 0 HA GLN A 17 12.687 -12.482 6.635 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.355 -14.463 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.838 -14.887 7.046 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.451 -14.170 6.163 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.169 -14.424 4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.990 -15.924 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.525 -17.597 5.833 1.00 0.00 H new ATOM 239 N LYS A 18 9.617 -11.834 5.670 1.00 0.00 N ATOM 240 CA LYS A 18 8.819 -11.046 4.737 1.00 0.00 C ATOM 241 C LYS A 18 9.168 -9.566 4.837 1.00 0.00 C ATOM 242 O LYS A 18 9.414 -8.907 3.827 1.00 0.00 O ATOM 243 CB LYS A 18 7.327 -11.250 5.014 1.00 0.00 C ATOM 244 CG LYS A 18 6.892 -12.704 4.968 1.00 0.00 C ATOM 245 CD LYS A 18 6.667 -13.174 3.541 1.00 0.00 C ATOM 246 CE LYS A 18 5.606 -14.262 3.473 1.00 0.00 C ATOM 247 NZ LYS A 18 5.698 -15.047 2.211 1.00 0.00 N ATOM 0 H LYS A 18 9.079 -12.279 6.414 1.00 0.00 H new ATOM 0 HA LYS A 18 9.045 -11.386 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.089 -10.839 5.995 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.750 -10.684 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.651 -13.327 5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.974 -12.828 5.542 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.364 -12.329 2.922 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.603 -13.551 3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.717 -14.931 4.326 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.617 -13.810 3.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.959 -15.778 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.567 -14.413 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.633 -15.499 2.151 1.00 0.00 H new ATOM 261 N GLU A 19 9.190 -9.048 6.063 1.00 0.00 N ATOM 262 CA GLU A 19 9.510 -7.644 6.292 1.00 0.00 C ATOM 263 C GLU A 19 10.650 -7.191 5.384 1.00 0.00 C ATOM 264 O GLU A 19 10.696 -6.037 4.960 1.00 0.00 O ATOM 265 CB GLU A 19 9.890 -7.419 7.757 1.00 0.00 C ATOM 266 CG GLU A 19 9.640 -6.000 8.239 1.00 0.00 C ATOM 267 CD GLU A 19 10.262 -5.726 9.595 1.00 0.00 C ATOM 268 OE1 GLU A 19 10.372 -6.674 10.400 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.638 -4.562 9.850 1.00 0.00 O ATOM 0 H GLU A 19 8.990 -9.579 6.910 1.00 0.00 H new ATOM 0 HA GLU A 19 8.625 -7.052 6.058 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.324 -8.111 8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.945 -7.659 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.042 -5.297 7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.566 -5.823 8.294 1.00 0.00 H new ATOM 276 N ALA A 20 11.566 -8.108 5.091 1.00 0.00 N ATOM 277 CA ALA A 20 12.704 -7.803 4.233 1.00 0.00 C ATOM 278 C ALA A 20 12.324 -7.903 2.760 1.00 0.00 C ATOM 279 O ALA A 20 12.798 -7.125 1.933 1.00 0.00 O ATOM 280 CB ALA A 20 13.865 -8.735 4.546 1.00 0.00 C ATOM 0 H ALA A 20 11.542 -9.068 5.435 1.00 0.00 H new ATOM 0 HA ALA A 20 13.013 -6.777 4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.708 -8.496 3.898 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.161 -8.610 5.588 1.00 0.00 H new ATOM 0 HB3 ALA A 20 13.559 -9.767 4.377 1.00 0.00 H new ATOM 286 N GLU A 21 11.466 -8.867 2.439 1.00 0.00 N ATOM 287 CA GLU A 21 11.024 -9.069 1.065 1.00 0.00 C ATOM 288 C GLU A 21 10.287 -7.838 0.544 1.00 0.00 C ATOM 289 O GLU A 21 10.496 -7.410 -0.592 1.00 0.00 O ATOM 290 CB GLU A 21 10.116 -10.297 0.973 1.00 0.00 C ATOM 291 CG GLU A 21 10.777 -11.580 1.445 1.00 0.00 C ATOM 292 CD GLU A 21 10.136 -12.820 0.853 1.00 0.00 C ATOM 293 OE1 GLU A 21 10.087 -12.928 -0.390 1.00 0.00 O ATOM 294 OE2 GLU A 21 9.682 -13.682 1.634 1.00 0.00 O ATOM 0 H GLU A 21 11.064 -9.520 3.112 1.00 0.00 H new ATOM 0 HA GLU A 21 11.907 -9.232 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.219 -10.121 1.567 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.794 -10.423 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.834 -11.559 1.178 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.724 -11.632 2.532 1.00 0.00 H new ATOM 301 N LEU A 22 9.425 -7.274 1.382 1.00 0.00 N ATOM 302 CA LEU A 22 8.656 -6.092 1.007 1.00 0.00 C ATOM 303 C LEU A 22 9.575 -4.903 0.748 1.00 0.00 C ATOM 304 O LEU A 22 9.668 -4.411 -0.377 1.00 0.00 O ATOM 305 CB LEU A 22 7.650 -5.743 2.106 1.00 0.00 C ATOM 306 CG LEU A 22 6.572 -6.791 2.385 1.00 0.00 C ATOM 307 CD1 LEU A 22 5.790 -6.430 3.638 1.00 0.00 C ATOM 308 CD2 LEU A 22 5.637 -6.926 1.192 1.00 0.00 C ATOM 0 H LEU A 22 9.241 -7.615 2.325 1.00 0.00 H new ATOM 0 HA LEU A 22 8.117 -6.318 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.199 -5.561 3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.159 -4.808 1.838 1.00 0.00 H new ATOM 0 HG LEU A 22 7.060 -7.752 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.027 -7.187 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.468 -6.385 4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.313 -5.459 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.877 -7.676 1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.156 -5.968 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.208 -7.231 0.315 1.00 0.00 H new ATOM 320 N ARG A 23 10.256 -4.448 1.795 1.00 0.00 N ATOM 321 CA ARG A 23 11.169 -3.318 1.681 1.00 0.00 C ATOM 322 C ARG A 23 12.118 -3.504 0.500 1.00 0.00 C ATOM 323 O ARG A 23 12.436 -2.550 -0.211 1.00 0.00 O ATOM 324 CB ARG A 23 11.972 -3.152 2.972 1.00 0.00 C ATOM 325 CG ARG A 23 12.838 -4.353 3.311 1.00 0.00 C ATOM 326 CD ARG A 23 13.801 -4.045 4.448 1.00 0.00 C ATOM 327 NE ARG A 23 14.866 -3.137 4.031 1.00 0.00 N ATOM 328 CZ ARG A 23 15.998 -2.976 4.706 1.00 0.00 C ATOM 329 NH1 ARG A 23 16.212 -3.658 5.823 1.00 0.00 N ATOM 330 NH2 ARG A 23 16.921 -2.130 4.264 1.00 0.00 N ATOM 0 H ARG A 23 10.192 -4.845 2.732 1.00 0.00 H new ATOM 0 HA ARG A 23 10.576 -2.419 1.512 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.607 -2.271 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.283 -2.967 3.797 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.203 -5.194 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 23 13.401 -4.657 2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 23 13.252 -3.602 5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 23 14.239 -4.974 4.814 1.00 0.00 H new ATOM 0 HE ARG A 23 14.733 -2.598 3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 23 15.506 -4.309 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.083 -3.532 6.339 1.00 0.00 H new ATOM 0 HH21 ARG A 23 16.761 -1.603 3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.790 -2.007 4.783 1.00 0.00 H new ATOM 344 N THR A 24 12.568 -4.739 0.297 1.00 0.00 N ATOM 345 CA THR A 24 13.481 -5.049 -0.796 1.00 0.00 C ATOM 346 C THR A 24 12.787 -4.915 -2.147 1.00 0.00 C ATOM 347 O THR A 24 13.435 -4.683 -3.168 1.00 0.00 O ATOM 348 CB THR A 24 14.052 -6.473 -0.663 1.00 0.00 C ATOM 349 OG1 THR A 24 14.780 -6.596 0.564 1.00 0.00 O ATOM 350 CG2 THR A 24 14.964 -6.801 -1.835 1.00 0.00 C ATOM 0 H THR A 24 12.315 -5.540 0.875 1.00 0.00 H new ATOM 0 HA THR A 24 14.299 -4.331 -0.739 1.00 0.00 H new ATOM 0 HB THR A 24 13.220 -7.177 -0.663 1.00 0.00 H new ATOM 0 HG1 THR A 24 14.279 -7.164 1.186 1.00 0.00 H new ATOM 0 HG21 THR A 24 15.356 -7.812 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 24 14.399 -6.735 -2.765 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.792 -6.092 -1.862 1.00 0.00 H new ATOM 358 N TRP A 25 11.467 -5.063 -2.146 1.00 0.00 N ATOM 359 CA TRP A 25 10.686 -4.958 -3.373 1.00 0.00 C ATOM 360 C TRP A 25 10.226 -3.523 -3.605 1.00 0.00 C ATOM 361 O TRP A 25 10.088 -3.083 -4.747 1.00 0.00 O ATOM 362 CB TRP A 25 9.475 -5.891 -3.312 1.00 0.00 C ATOM 363 CG TRP A 25 8.345 -5.457 -4.196 1.00 0.00 C ATOM 364 CD1 TRP A 25 8.297 -5.526 -5.559 1.00 0.00 C ATOM 365 CD2 TRP A 25 7.102 -4.884 -3.778 1.00 0.00 C ATOM 366 NE1 TRP A 25 7.099 -5.031 -6.012 1.00 0.00 N ATOM 367 CE2 TRP A 25 6.347 -4.631 -4.940 1.00 0.00 C ATOM 368 CE3 TRP A 25 6.552 -4.561 -2.534 1.00 0.00 C ATOM 369 CZ2 TRP A 25 5.074 -4.071 -4.893 1.00 0.00 C ATOM 370 CZ3 TRP A 25 5.287 -4.004 -2.489 1.00 0.00 C ATOM 371 CH2 TRP A 25 4.559 -3.765 -3.662 1.00 0.00 C ATOM 0 H TRP A 25 10.916 -5.256 -1.310 1.00 0.00 H new ATOM 0 HA TRP A 25 11.323 -5.254 -4.206 1.00 0.00 H new ATOM 0 HB2 TRP A 25 9.785 -6.896 -3.598 1.00 0.00 H new ATOM 0 HB3 TRP A 25 9.121 -5.948 -2.283 1.00 0.00 H new ATOM 0 HD1 TRP A 25 9.085 -5.913 -6.188 1.00 0.00 H new ATOM 0 HE1 TRP A 25 6.815 -4.971 -6.990 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.105 -4.743 -1.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.512 -3.884 -5.796 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 4.853 -3.749 -1.534 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.572 -3.331 -3.594 1.00 0.00 H new ATOM 382 N ILE A 26 9.991 -2.799 -2.516 1.00 0.00 N ATOM 383 CA ILE A 26 9.549 -1.413 -2.603 1.00 0.00 C ATOM 384 C ILE A 26 10.729 -0.471 -2.813 1.00 0.00 C ATOM 385 O ILE A 26 10.717 0.363 -3.718 1.00 0.00 O ATOM 386 CB ILE A 26 8.784 -0.985 -1.336 1.00 0.00 C ATOM 387 CG1 ILE A 26 7.673 -1.990 -1.020 1.00 0.00 C ATOM 388 CG2 ILE A 26 8.208 0.412 -1.510 1.00 0.00 C ATOM 389 CD1 ILE A 26 7.014 -1.761 0.321 1.00 0.00 C ATOM 0 H ILE A 26 10.099 -3.149 -1.564 1.00 0.00 H new ATOM 0 HA ILE A 26 8.880 -1.349 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 26 9.481 -0.967 -0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.915 -1.939 -1.802 1.00 0.00 H new ATOM 0 HG13 ILE A 26 8.088 -2.998 -1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 26 7.671 0.699 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.017 1.119 -1.691 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.523 0.420 -2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.237 -2.510 0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.760 -1.842 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.569 -0.766 0.342 1.00 0.00 H new ATOM 401 N GLU A 27 11.748 -0.611 -1.970 1.00 0.00 N ATOM 402 CA GLU A 27 12.938 0.228 -2.065 1.00 0.00 C ATOM 403 C GLU A 27 13.421 0.325 -3.509 1.00 0.00 C ATOM 404 O GLU A 27 13.835 1.390 -3.964 1.00 0.00 O ATOM 405 CB GLU A 27 14.054 -0.330 -1.179 1.00 0.00 C ATOM 406 CG GLU A 27 13.812 -0.121 0.307 1.00 0.00 C ATOM 407 CD GLU A 27 14.249 1.251 0.783 1.00 0.00 C ATOM 408 OE1 GLU A 27 15.462 1.441 1.010 1.00 0.00 O ATOM 409 OE2 GLU A 27 13.378 2.133 0.927 1.00 0.00 O ATOM 0 H GLU A 27 11.774 -1.296 -1.215 1.00 0.00 H new ATOM 0 HA GLU A 27 12.675 1.228 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 27 14.163 -1.397 -1.375 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.997 0.143 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.752 -0.255 0.521 1.00 0.00 H new ATOM 0 HG3 GLU A 27 14.349 -0.885 0.870 1.00 0.00 H new ATOM 416 N GLY A 28 13.364 -0.795 -4.224 1.00 0.00 N ATOM 417 CA GLY A 28 13.799 -0.815 -5.607 1.00 0.00 C ATOM 418 C GLY A 28 12.783 -0.190 -6.544 1.00 0.00 C ATOM 419 O GLY A 28 13.146 0.407 -7.557 1.00 0.00 O ATOM 0 H GLY A 28 13.024 -1.689 -3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.746 -0.282 -5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.984 -1.845 -5.912 1.00 0.00 H new ATOM 423 N LEU A 29 11.506 -0.331 -6.206 1.00 0.00 N ATOM 424 CA LEU A 29 10.433 0.222 -7.025 1.00 0.00 C ATOM 425 C LEU A 29 10.484 1.747 -7.034 1.00 0.00 C ATOM 426 O LEU A 29 10.647 2.368 -8.085 1.00 0.00 O ATOM 427 CB LEU A 29 9.074 -0.250 -6.507 1.00 0.00 C ATOM 428 CG LEU A 29 8.541 -1.551 -7.109 1.00 0.00 C ATOM 429 CD1 LEU A 29 7.508 -2.182 -6.187 1.00 0.00 C ATOM 430 CD2 LEU A 29 7.945 -1.297 -8.485 1.00 0.00 C ATOM 0 H LEU A 29 11.188 -0.823 -5.371 1.00 0.00 H new ATOM 0 HA LEU A 29 10.570 -0.134 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.143 -0.375 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.344 0.538 -6.691 1.00 0.00 H new ATOM 0 HG LEU A 29 9.374 -2.246 -7.218 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.140 -3.107 -6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.966 -2.401 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.677 -1.491 -6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.571 -2.234 -8.898 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.125 -0.584 -8.400 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.712 -0.891 -9.144 1.00 0.00 H new ATOM 442 N THR A 30 10.347 2.345 -5.855 1.00 0.00 N ATOM 443 CA THR A 30 10.380 3.796 -5.726 1.00 0.00 C ATOM 444 C THR A 30 11.812 4.318 -5.729 1.00 0.00 C ATOM 445 O THR A 30 12.078 5.427 -6.188 1.00 0.00 O ATOM 446 CB THR A 30 9.679 4.262 -4.434 1.00 0.00 C ATOM 447 OG1 THR A 30 10.450 3.871 -3.292 1.00 0.00 O ATOM 448 CG2 THR A 30 8.280 3.673 -4.335 1.00 0.00 C ATOM 0 H THR A 30 10.212 1.846 -4.975 1.00 0.00 H new ATOM 0 HA THR A 30 9.848 4.200 -6.587 1.00 0.00 H new ATOM 0 HB THR A 30 9.596 5.349 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 30 9.912 3.285 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.805 4.016 -3.416 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.688 3.996 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 30 8.343 2.585 -4.327 1.00 0.00 H new ATOM 456 N GLY A 31 12.733 3.507 -5.215 1.00 0.00 N ATOM 457 CA GLY A 31 14.128 3.905 -5.170 1.00 0.00 C ATOM 458 C GLY A 31 14.446 4.769 -3.967 1.00 0.00 C ATOM 459 O GLY A 31 15.489 5.424 -3.921 1.00 0.00 O ATOM 0 H GLY A 31 12.538 2.583 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.756 3.014 -5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.377 4.450 -6.081 1.00 0.00 H new ATOM 463 N LEU A 32 13.545 4.775 -2.991 1.00 0.00 N ATOM 464 CA LEU A 32 13.734 5.569 -1.781 1.00 0.00 C ATOM 465 C LEU A 32 14.292 4.713 -0.650 1.00 0.00 C ATOM 466 O LEU A 32 14.594 3.535 -0.841 1.00 0.00 O ATOM 467 CB LEU A 32 12.409 6.203 -1.351 1.00 0.00 C ATOM 468 CG LEU A 32 11.777 7.178 -2.345 1.00 0.00 C ATOM 469 CD1 LEU A 32 10.324 7.441 -1.983 1.00 0.00 C ATOM 470 CD2 LEU A 32 12.564 8.480 -2.387 1.00 0.00 C ATOM 0 H LEU A 32 12.677 4.240 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 32 14.452 6.358 -2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.695 5.404 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.569 6.728 -0.410 1.00 0.00 H new ATOM 0 HG LEU A 32 11.806 6.727 -3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.890 8.137 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.768 6.504 -2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.270 7.871 -0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.101 9.162 -3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.567 8.936 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.589 8.276 -2.695 1.00 0.00 H new ATOM 482 N SER A 33 14.424 5.311 0.530 1.00 0.00 N ATOM 483 CA SER A 33 14.946 4.603 1.693 1.00 0.00 C ATOM 484 C SER A 33 13.956 4.655 2.852 1.00 0.00 C ATOM 485 O SER A 33 13.457 5.723 3.209 1.00 0.00 O ATOM 486 CB SER A 33 16.285 5.206 2.124 1.00 0.00 C ATOM 487 OG SER A 33 16.619 4.815 3.444 1.00 0.00 O ATOM 0 H SER A 33 14.176 6.285 0.706 1.00 0.00 H new ATOM 0 HA SER A 33 15.097 3.560 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 33 17.069 4.887 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 33 16.233 6.293 2.065 1.00 0.00 H new ATOM 0 HG SER A 33 17.479 5.212 3.695 1.00 0.00 H new ATOM 493 N ILE A 34 13.675 3.495 3.434 1.00 0.00 N ATOM 494 CA ILE A 34 12.745 3.407 4.553 1.00 0.00 C ATOM 495 C ILE A 34 13.402 3.863 5.851 1.00 0.00 C ATOM 496 O ILE A 34 12.778 4.531 6.674 1.00 0.00 O ATOM 497 CB ILE A 34 12.216 1.972 4.734 1.00 0.00 C ATOM 498 CG1 ILE A 34 11.415 1.541 3.504 1.00 0.00 C ATOM 499 CG2 ILE A 34 11.362 1.877 5.990 1.00 0.00 C ATOM 500 CD1 ILE A 34 11.419 0.046 3.273 1.00 0.00 C ATOM 0 H ILE A 34 14.078 2.602 3.149 1.00 0.00 H new ATOM 0 HA ILE A 34 11.909 4.067 4.321 1.00 0.00 H new ATOM 0 HB ILE A 34 13.066 1.298 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.385 1.881 3.614 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.822 2.038 2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.995 0.857 6.104 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.962 2.147 6.859 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.516 2.559 5.907 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.832 -0.186 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.444 -0.297 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.984 -0.457 4.137 1.00 0.00 H new ATOM 512 N GLY A 35 14.668 3.498 6.027 1.00 0.00 N ATOM 513 CA GLY A 35 15.391 3.879 7.226 1.00 0.00 C ATOM 514 C GLY A 35 15.617 2.709 8.164 1.00 0.00 C ATOM 515 O GLY A 35 15.288 1.564 7.853 1.00 0.00 O ATOM 0 H GLY A 35 15.206 2.945 5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.353 4.307 6.946 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.836 4.658 7.749 1.00 0.00 H new ATOM 519 N PRO A 36 16.191 2.993 9.343 1.00 0.00 N ATOM 520 CA PRO A 36 16.473 1.969 10.352 1.00 0.00 C ATOM 521 C PRO A 36 15.204 1.419 10.992 1.00 0.00 C ATOM 522 O PRO A 36 15.259 0.524 11.837 1.00 0.00 O ATOM 523 CB PRO A 36 17.315 2.715 11.389 1.00 0.00 C ATOM 524 CG PRO A 36 16.921 4.145 11.239 1.00 0.00 C ATOM 525 CD PRO A 36 16.607 4.336 9.781 1.00 0.00 C ATOM 0 HA PRO A 36 16.972 1.101 9.922 1.00 0.00 H new ATOM 0 HB2 PRO A 36 17.114 2.353 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 36 18.381 2.577 11.207 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.055 4.379 11.859 1.00 0.00 H new ATOM 0 HG3 PRO A 36 17.727 4.807 11.555 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.815 5.070 9.633 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.476 4.689 9.226 1.00 0.00 H new ATOM 533 N ASP A 37 14.060 1.959 10.585 1.00 0.00 N ATOM 534 CA ASP A 37 12.775 1.521 11.118 1.00 0.00 C ATOM 535 C ASP A 37 11.721 1.464 10.017 1.00 0.00 C ATOM 536 O ASP A 37 11.652 2.347 9.162 1.00 0.00 O ATOM 537 CB ASP A 37 12.314 2.462 12.233 1.00 0.00 C ATOM 538 CG ASP A 37 13.343 2.596 13.340 1.00 0.00 C ATOM 539 OD1 ASP A 37 13.460 1.661 14.157 1.00 0.00 O ATOM 540 OD2 ASP A 37 14.030 3.639 13.387 1.00 0.00 O ATOM 0 H ASP A 37 13.996 2.701 9.888 1.00 0.00 H new ATOM 0 HA ASP A 37 12.902 0.519 11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.107 3.446 11.812 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.379 2.092 12.653 1.00 0.00 H new ATOM 545 N PHE A 38 10.903 0.417 10.043 1.00 0.00 N ATOM 546 CA PHE A 38 9.853 0.243 9.045 1.00 0.00 C ATOM 547 C PHE A 38 8.624 1.074 9.399 1.00 0.00 C ATOM 548 O PHE A 38 8.255 1.995 8.671 1.00 0.00 O ATOM 549 CB PHE A 38 9.470 -1.234 8.931 1.00 0.00 C ATOM 550 CG PHE A 38 8.758 -1.572 7.652 1.00 0.00 C ATOM 551 CD1 PHE A 38 9.374 -1.368 6.428 1.00 0.00 C ATOM 552 CD2 PHE A 38 7.474 -2.091 7.674 1.00 0.00 C ATOM 553 CE1 PHE A 38 8.721 -1.677 5.248 1.00 0.00 C ATOM 554 CE2 PHE A 38 6.817 -2.403 6.499 1.00 0.00 C ATOM 555 CZ PHE A 38 7.441 -2.196 5.285 1.00 0.00 C ATOM 0 H PHE A 38 10.947 -0.323 10.743 1.00 0.00 H new ATOM 0 HA PHE A 38 10.237 0.587 8.085 1.00 0.00 H new ATOM 0 HB2 PHE A 38 10.372 -1.842 9.007 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.833 -1.502 9.774 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.375 -0.963 6.395 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.980 -2.254 8.621 1.00 0.00 H new ATOM 0 HE1 PHE A 38 9.211 -1.513 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.816 -2.808 6.530 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.929 -2.439 4.366 1.00 0.00 H new ATOM 565 N GLN A 39 7.993 0.740 10.520 1.00 0.00 N ATOM 566 CA GLN A 39 6.804 1.454 10.969 1.00 0.00 C ATOM 567 C GLN A 39 6.986 2.960 10.821 1.00 0.00 C ATOM 568 O GLN A 39 6.098 3.659 10.330 1.00 0.00 O ATOM 569 CB GLN A 39 6.495 1.106 12.426 1.00 0.00 C ATOM 570 CG GLN A 39 5.163 1.654 12.913 1.00 0.00 C ATOM 571 CD GLN A 39 5.287 3.040 13.515 1.00 0.00 C ATOM 572 OE1 GLN A 39 4.699 4.028 12.850 1.00 0.00 O flip ATOM 573 NE2 GLN A 39 5.903 3.220 14.565 1.00 0.00 N flip ATOM 0 H GLN A 39 8.285 -0.020 11.134 1.00 0.00 H new ATOM 0 HA GLN A 39 5.967 1.145 10.344 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.496 0.022 12.540 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.292 1.494 13.060 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.461 1.685 12.080 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.745 0.975 13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.339 2.431 15.042 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.977 4.158 14.958 1.00 0.00 H new ATOM 582 N LYS A 40 8.142 3.456 11.249 1.00 0.00 N ATOM 583 CA LYS A 40 8.441 4.882 11.164 1.00 0.00 C ATOM 584 C LYS A 40 8.604 5.317 9.711 1.00 0.00 C ATOM 585 O LYS A 40 7.751 6.013 9.162 1.00 0.00 O ATOM 586 CB LYS A 40 9.715 5.203 11.948 1.00 0.00 C ATOM 587 CG LYS A 40 9.654 4.779 13.406 1.00 0.00 C ATOM 588 CD LYS A 40 10.515 5.673 14.284 1.00 0.00 C ATOM 589 CE LYS A 40 9.900 7.055 14.444 1.00 0.00 C ATOM 590 NZ LYS A 40 10.344 7.987 13.372 1.00 0.00 N ATOM 0 H LYS A 40 8.887 2.892 11.658 1.00 0.00 H new ATOM 0 HA LYS A 40 7.605 5.430 11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.561 4.709 11.469 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.902 6.276 11.898 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.621 4.813 13.753 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.988 3.746 13.500 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.638 5.213 15.264 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.510 5.764 13.848 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.813 6.973 14.427 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.173 7.464 15.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.536 8.923 13.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.210 7.619 12.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.597 8.071 12.654 1.00 0.00 H new ATOM 604 N GLY A 41 9.704 4.900 9.092 1.00 0.00 N ATOM 605 CA GLY A 41 9.958 5.257 7.708 1.00 0.00 C ATOM 606 C GLY A 41 8.686 5.335 6.887 1.00 0.00 C ATOM 607 O GLY A 41 8.536 6.220 6.044 1.00 0.00 O ATOM 0 H GLY A 41 10.424 4.321 9.524 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.470 6.219 7.672 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.629 4.522 7.264 1.00 0.00 H new ATOM 611 N LEU A 42 7.767 4.408 7.134 1.00 0.00 N ATOM 612 CA LEU A 42 6.501 4.375 6.409 1.00 0.00 C ATOM 613 C LEU A 42 5.458 5.252 7.096 1.00 0.00 C ATOM 614 O LEU A 42 4.641 5.894 6.437 1.00 0.00 O ATOM 615 CB LEU A 42 5.987 2.937 6.308 1.00 0.00 C ATOM 616 CG LEU A 42 7.002 1.895 5.837 1.00 0.00 C ATOM 617 CD1 LEU A 42 6.383 0.505 5.850 1.00 0.00 C ATOM 618 CD2 LEU A 42 7.514 2.238 4.445 1.00 0.00 C ATOM 0 H LEU A 42 7.874 3.670 7.830 1.00 0.00 H new ATOM 0 HA LEU A 42 6.674 4.765 5.406 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.614 2.636 7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.138 2.923 5.625 1.00 0.00 H new ATOM 0 HG LEU A 42 7.847 1.903 6.525 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.119 -0.224 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.066 0.257 6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.520 0.485 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.235 1.485 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.679 2.259 3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.995 3.216 4.465 1.00 0.00 H new ATOM 630 N LYS A 43 5.493 5.274 8.424 1.00 0.00 N ATOM 631 CA LYS A 43 4.554 6.075 9.201 1.00 0.00 C ATOM 632 C LYS A 43 4.217 7.374 8.475 1.00 0.00 C ATOM 633 O LYS A 43 3.089 7.567 8.022 1.00 0.00 O ATOM 634 CB LYS A 43 5.138 6.386 10.581 1.00 0.00 C ATOM 635 CG LYS A 43 4.336 7.410 11.364 1.00 0.00 C ATOM 636 CD LYS A 43 5.197 8.126 12.392 1.00 0.00 C ATOM 637 CE LYS A 43 4.599 9.470 12.780 1.00 0.00 C ATOM 638 NZ LYS A 43 5.534 10.270 13.620 1.00 0.00 N ATOM 0 H LYS A 43 6.162 4.746 8.985 1.00 0.00 H new ATOM 0 HA LYS A 43 3.637 5.499 9.323 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.195 5.463 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.158 6.751 10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.906 8.139 10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.504 6.916 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.300 7.502 13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.199 8.275 11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.350 10.031 11.879 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.668 9.310 13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.091 11.179 13.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.752 9.746 14.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.413 10.444 13.092 1.00 0.00 H new ATOM 652 N ASP A 44 5.201 8.259 8.369 1.00 0.00 N ATOM 653 CA ASP A 44 5.009 9.539 7.697 1.00 0.00 C ATOM 654 C ASP A 44 4.173 9.368 6.432 1.00 0.00 C ATOM 655 O ASP A 44 3.283 10.170 6.150 1.00 0.00 O ATOM 656 CB ASP A 44 6.360 10.165 7.349 1.00 0.00 C ATOM 657 CG ASP A 44 7.371 9.136 6.881 1.00 0.00 C ATOM 658 OD1 ASP A 44 6.971 8.192 6.168 1.00 0.00 O ATOM 659 OD2 ASP A 44 8.563 9.276 7.229 1.00 0.00 O ATOM 0 H ASP A 44 6.140 8.114 8.740 1.00 0.00 H new ATOM 0 HA ASP A 44 4.475 10.202 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.220 10.914 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.753 10.685 8.223 1.00 0.00 H new ATOM 664 N GLY A 45 4.467 8.316 5.673 1.00 0.00 N ATOM 665 CA GLY A 45 3.734 8.060 4.446 1.00 0.00 C ATOM 666 C GLY A 45 4.381 8.708 3.238 1.00 0.00 C ATOM 667 O GLY A 45 3.692 9.198 2.343 1.00 0.00 O ATOM 0 H GLY A 45 5.198 7.638 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.666 6.984 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.715 8.431 4.551 1.00 0.00 H new ATOM 671 N THR A 46 5.710 8.713 3.212 1.00 0.00 N ATOM 672 CA THR A 46 6.451 9.308 2.106 1.00 0.00 C ATOM 673 C THR A 46 6.681 8.295 0.990 1.00 0.00 C ATOM 674 O THR A 46 6.462 8.591 -0.184 1.00 0.00 O ATOM 675 CB THR A 46 7.811 9.859 2.573 1.00 0.00 C ATOM 676 OG1 THR A 46 8.540 8.840 3.267 1.00 0.00 O ATOM 677 CG2 THR A 46 7.624 11.064 3.483 1.00 0.00 C ATOM 0 H THR A 46 6.296 8.312 3.944 1.00 0.00 H new ATOM 0 HA THR A 46 5.845 10.131 1.726 1.00 0.00 H new ATOM 0 HB THR A 46 8.372 10.172 1.693 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.404 9.198 3.559 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.599 11.435 3.800 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.095 11.849 2.943 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.045 10.772 4.359 1.00 0.00 H new ATOM 685 N ILE A 47 7.124 7.100 1.365 1.00 0.00 N ATOM 686 CA ILE A 47 7.382 6.043 0.396 1.00 0.00 C ATOM 687 C ILE A 47 6.094 5.329 0.003 1.00 0.00 C ATOM 688 O ILE A 47 5.741 5.264 -1.176 1.00 0.00 O ATOM 689 CB ILE A 47 8.382 5.007 0.945 1.00 0.00 C ATOM 690 CG1 ILE A 47 9.713 5.682 1.283 1.00 0.00 C ATOM 691 CG2 ILE A 47 8.591 3.887 -0.064 1.00 0.00 C ATOM 692 CD1 ILE A 47 10.459 5.012 2.416 1.00 0.00 C ATOM 0 H ILE A 47 7.312 6.840 2.333 1.00 0.00 H new ATOM 0 HA ILE A 47 7.812 6.522 -0.484 1.00 0.00 H new ATOM 0 HB ILE A 47 7.972 4.575 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 47 10.345 5.686 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.527 6.723 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.300 3.163 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.640 3.393 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.983 4.302 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.393 5.543 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.846 5.031 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 47 10.677 3.978 2.147 1.00 0.00 H new ATOM 704 N LEU A 48 5.392 4.798 0.998 1.00 0.00 N ATOM 705 CA LEU A 48 4.139 4.090 0.758 1.00 0.00 C ATOM 706 C LEU A 48 3.374 4.716 -0.404 1.00 0.00 C ATOM 707 O LEU A 48 2.736 4.015 -1.189 1.00 0.00 O ATOM 708 CB LEU A 48 3.273 4.103 2.018 1.00 0.00 C ATOM 709 CG LEU A 48 3.686 3.133 3.126 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.653 3.126 4.242 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.876 1.732 2.564 1.00 0.00 C ATOM 0 H LEU A 48 5.669 4.844 1.979 1.00 0.00 H new ATOM 0 HA LEU A 48 4.378 3.058 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.277 5.113 2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.246 3.879 1.731 1.00 0.00 H new ATOM 0 HG LEU A 48 4.636 3.469 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.964 2.430 5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.566 4.127 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.688 2.815 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.170 1.055 3.366 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.941 1.387 2.122 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.654 1.749 1.800 1.00 0.00 H new ATOM 723 N CYS A 49 3.445 6.038 -0.508 1.00 0.00 N ATOM 724 CA CYS A 49 2.761 6.759 -1.576 1.00 0.00 C ATOM 725 C CYS A 49 3.454 6.535 -2.915 1.00 0.00 C ATOM 726 O CYS A 49 2.832 6.102 -3.886 1.00 0.00 O ATOM 727 CB CYS A 49 2.708 8.254 -1.258 1.00 0.00 C ATOM 728 SG CYS A 49 1.356 8.729 -0.156 1.00 0.00 S ATOM 0 H CYS A 49 3.969 6.633 0.134 1.00 0.00 H new ATOM 0 HA CYS A 49 1.744 6.374 -1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.653 8.551 -0.804 1.00 0.00 H new ATOM 0 HB3 CYS A 49 2.614 8.810 -2.191 1.00 0.00 H new ATOM 0 HG CYS A 49 1.155 10.010 -0.243 1.00 0.00 H new ATOM 734 N THR A 50 4.749 6.835 -2.963 1.00 0.00 N ATOM 735 CA THR A 50 5.528 6.670 -4.183 1.00 0.00 C ATOM 736 C THR A 50 5.407 5.249 -4.724 1.00 0.00 C ATOM 737 O THR A 50 5.368 5.037 -5.937 1.00 0.00 O ATOM 738 CB THR A 50 7.016 6.993 -3.949 1.00 0.00 C ATOM 739 OG1 THR A 50 7.460 6.396 -2.725 1.00 0.00 O ATOM 740 CG2 THR A 50 7.241 8.496 -3.897 1.00 0.00 C ATOM 0 H THR A 50 5.280 7.194 -2.170 1.00 0.00 H new ATOM 0 HA THR A 50 5.123 7.371 -4.913 1.00 0.00 H new ATOM 0 HB THR A 50 7.590 6.584 -4.781 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.798 5.741 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.299 8.700 -3.731 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.929 8.943 -4.841 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.657 8.923 -3.082 1.00 0.00 H new ATOM 748 N LEU A 51 5.348 4.280 -3.819 1.00 0.00 N ATOM 749 CA LEU A 51 5.230 2.878 -4.205 1.00 0.00 C ATOM 750 C LEU A 51 3.989 2.651 -5.061 1.00 0.00 C ATOM 751 O LEU A 51 4.056 2.018 -6.114 1.00 0.00 O ATOM 752 CB LEU A 51 5.175 1.989 -2.961 1.00 0.00 C ATOM 753 CG LEU A 51 4.664 0.563 -3.177 1.00 0.00 C ATOM 754 CD1 LEU A 51 5.658 -0.241 -4.001 1.00 0.00 C ATOM 755 CD2 LEU A 51 4.402 -0.117 -1.842 1.00 0.00 C ATOM 0 H LEU A 51 5.380 4.439 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 51 6.108 2.614 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.176 1.934 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.539 2.473 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 51 3.724 0.613 -3.727 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.278 -1.252 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.796 0.236 -4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.614 -0.283 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.039 -1.130 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.326 -0.156 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.652 0.447 -1.287 1.00 0.00 H new ATOM 767 N MET A 52 2.857 3.175 -4.603 1.00 0.00 N ATOM 768 CA MET A 52 1.600 3.032 -5.329 1.00 0.00 C ATOM 769 C MET A 52 1.673 3.730 -6.683 1.00 0.00 C ATOM 770 O MET A 52 1.177 3.215 -7.684 1.00 0.00 O ATOM 771 CB MET A 52 0.443 3.606 -4.508 1.00 0.00 C ATOM 772 CG MET A 52 -0.917 3.062 -4.912 1.00 0.00 C ATOM 773 SD MET A 52 -1.022 1.268 -4.755 1.00 0.00 S ATOM 774 CE MET A 52 -1.773 0.835 -6.323 1.00 0.00 C ATOM 0 H MET A 52 2.784 3.702 -3.733 1.00 0.00 H new ATOM 0 HA MET A 52 1.425 1.969 -5.496 1.00 0.00 H new ATOM 0 HB2 MET A 52 0.614 3.389 -3.454 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.437 4.691 -4.613 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.687 3.523 -4.293 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.126 3.345 -5.944 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.904 -0.246 -6.378 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.744 1.323 -6.408 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.129 1.164 -7.138 1.00 0.00 H new ATOM 784 N ASN A 53 2.293 4.905 -6.705 1.00 0.00 N ATOM 785 CA ASN A 53 2.430 5.674 -7.938 1.00 0.00 C ATOM 786 C ASN A 53 3.121 4.850 -9.019 1.00 0.00 C ATOM 787 O ASN A 53 2.739 4.894 -10.189 1.00 0.00 O ATOM 788 CB ASN A 53 3.218 6.959 -7.677 1.00 0.00 C ATOM 789 CG ASN A 53 2.320 8.126 -7.317 1.00 0.00 C ATOM 790 OD1 ASN A 53 2.650 8.813 -6.228 1.00 0.00 O flip ATOM 791 ND2 ASN A 53 1.342 8.407 -8.009 1.00 0.00 N flip ATOM 0 H ASN A 53 2.708 5.346 -5.884 1.00 0.00 H new ATOM 0 HA ASN A 53 1.431 5.934 -8.288 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.928 6.788 -6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.799 7.212 -8.564 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.127 7.852 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.747 9.195 -7.755 1.00 0.00 H new ATOM 798 N LYS A 54 4.141 4.098 -8.620 1.00 0.00 N ATOM 799 CA LYS A 54 4.887 3.262 -9.555 1.00 0.00 C ATOM 800 C LYS A 54 3.984 2.197 -10.170 1.00 0.00 C ATOM 801 O LYS A 54 3.993 1.987 -11.384 1.00 0.00 O ATOM 802 CB LYS A 54 6.067 2.596 -8.844 1.00 0.00 C ATOM 803 CG LYS A 54 7.071 3.584 -8.277 1.00 0.00 C ATOM 804 CD LYS A 54 7.840 4.293 -9.379 1.00 0.00 C ATOM 805 CE LYS A 54 8.344 5.653 -8.922 1.00 0.00 C ATOM 806 NZ LYS A 54 9.474 6.138 -9.761 1.00 0.00 N ATOM 0 H LYS A 54 4.470 4.050 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 54 5.265 3.900 -10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.688 1.972 -8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.577 1.935 -9.545 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.552 4.320 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.769 3.060 -7.624 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.684 3.677 -9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.198 4.416 -10.251 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.528 6.374 -8.961 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.665 5.590 -7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.788 7.068 -9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.263 5.463 -9.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.161 6.223 -10.749 1.00 0.00 H new ATOM 820 N LEU A 55 3.205 1.528 -9.326 1.00 0.00 N ATOM 821 CA LEU A 55 2.295 0.485 -9.789 1.00 0.00 C ATOM 822 C LEU A 55 1.164 1.080 -10.620 1.00 0.00 C ATOM 823 O LEU A 55 0.754 0.504 -11.628 1.00 0.00 O ATOM 824 CB LEU A 55 1.720 -0.280 -8.597 1.00 0.00 C ATOM 825 CG LEU A 55 2.724 -0.716 -7.529 1.00 0.00 C ATOM 826 CD1 LEU A 55 2.003 -1.311 -6.329 1.00 0.00 C ATOM 827 CD2 LEU A 55 3.716 -1.715 -8.107 1.00 0.00 C ATOM 0 H LEU A 55 3.185 1.689 -8.319 1.00 0.00 H new ATOM 0 HA LEU A 55 2.859 -0.204 -10.418 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.963 0.344 -8.122 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.211 -1.168 -8.972 1.00 0.00 H new ATOM 0 HG LEU A 55 3.276 0.163 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.734 -1.615 -5.580 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.333 -0.565 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.425 -2.179 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.423 -2.015 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.180 -2.593 -8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.256 -1.254 -8.934 1.00 0.00 H new ATOM 839 N GLN A 56 0.666 2.235 -10.193 1.00 0.00 N ATOM 840 CA GLN A 56 -0.418 2.908 -10.901 1.00 0.00 C ATOM 841 C GLN A 56 -0.042 4.349 -11.228 1.00 0.00 C ATOM 842 O GLN A 56 0.344 5.129 -10.357 1.00 0.00 O ATOM 843 CB GLN A 56 -1.697 2.880 -10.063 1.00 0.00 C ATOM 844 CG GLN A 56 -2.771 3.834 -10.560 1.00 0.00 C ATOM 845 CD GLN A 56 -4.173 3.309 -10.322 1.00 0.00 C ATOM 846 OE1 GLN A 56 -4.888 2.968 -11.265 1.00 0.00 O ATOM 847 NE2 GLN A 56 -4.575 3.243 -9.058 1.00 0.00 N ATOM 0 H GLN A 56 0.995 2.725 -9.361 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.593 2.376 -11.836 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -2.097 1.866 -10.059 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.451 3.129 -9.031 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -2.657 4.796 -10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -2.629 4.011 -11.626 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.949 3.536 -8.308 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.510 2.899 -8.837 1.00 0.00 H new ATOM 856 N PRO A 57 -0.155 4.713 -12.514 1.00 0.00 N ATOM 857 CA PRO A 57 0.169 6.063 -12.987 1.00 0.00 C ATOM 858 C PRO A 57 -0.835 7.103 -12.502 1.00 0.00 C ATOM 859 O PRO A 57 -0.751 8.276 -12.860 1.00 0.00 O ATOM 860 CB PRO A 57 0.108 5.929 -14.510 1.00 0.00 C ATOM 861 CG PRO A 57 -0.814 4.785 -14.754 1.00 0.00 C ATOM 862 CD PRO A 57 -0.608 3.835 -13.606 1.00 0.00 C ATOM 0 HA PRO A 57 1.134 6.405 -12.614 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.264 6.843 -14.973 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.095 5.738 -14.930 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.850 5.122 -14.801 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.593 4.301 -15.705 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.529 3.313 -13.346 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.134 3.073 -13.843 1.00 0.00 H new ATOM 870 N GLY A 58 -1.787 6.663 -11.684 1.00 0.00 N ATOM 871 CA GLY A 58 -2.794 7.570 -11.163 1.00 0.00 C ATOM 872 C GLY A 58 -3.352 7.112 -9.830 1.00 0.00 C ATOM 873 O GLY A 58 -4.557 6.896 -9.695 1.00 0.00 O ATOM 0 H GLY A 58 -1.879 5.696 -11.373 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.360 8.564 -11.050 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.607 7.658 -11.883 1.00 0.00 H new ATOM 877 N SER A 59 -2.476 6.962 -8.843 1.00 0.00 N ATOM 878 CA SER A 59 -2.887 6.521 -7.516 1.00 0.00 C ATOM 879 C SER A 59 -2.794 7.666 -6.510 1.00 0.00 C ATOM 880 O SER A 59 -3.805 8.124 -5.978 1.00 0.00 O ATOM 881 CB SER A 59 -2.020 5.349 -7.052 1.00 0.00 C ATOM 882 OG SER A 59 -0.717 5.431 -7.602 1.00 0.00 O ATOM 0 H SER A 59 -1.476 7.140 -8.937 1.00 0.00 H new ATOM 0 HA SER A 59 -3.925 6.194 -7.575 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.959 5.346 -5.964 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.485 4.409 -7.348 1.00 0.00 H new ATOM 0 HG SER A 59 -0.739 5.146 -8.539 1.00 0.00 H new ATOM 888 N VAL A 60 -1.572 8.122 -6.254 1.00 0.00 N ATOM 889 CA VAL A 60 -1.344 9.213 -5.315 1.00 0.00 C ATOM 890 C VAL A 60 -1.058 10.519 -6.047 1.00 0.00 C ATOM 891 O VAL A 60 -0.092 10.637 -6.801 1.00 0.00 O ATOM 892 CB VAL A 60 -0.172 8.901 -4.365 1.00 0.00 C ATOM 893 CG1 VAL A 60 0.090 10.076 -3.436 1.00 0.00 C ATOM 894 CG2 VAL A 60 -0.453 7.635 -3.571 1.00 0.00 C ATOM 0 H VAL A 60 -0.724 7.752 -6.684 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.257 9.322 -4.729 1.00 0.00 H new ATOM 0 HB VAL A 60 0.724 8.736 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.921 9.837 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.339 10.958 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.802 10.276 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.385 7.430 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.360 7.769 -2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.586 6.798 -4.256 1.00 0.00 H new ATOM 904 N PRO A 61 -1.915 11.525 -5.820 1.00 0.00 N ATOM 905 CA PRO A 61 -1.774 12.842 -6.448 1.00 0.00 C ATOM 906 C PRO A 61 -0.573 13.614 -5.913 1.00 0.00 C ATOM 907 O PRO A 61 0.252 14.110 -6.680 1.00 0.00 O ATOM 908 CB PRO A 61 -3.077 13.554 -6.077 1.00 0.00 C ATOM 909 CG PRO A 61 -3.527 12.889 -4.822 1.00 0.00 C ATOM 910 CD PRO A 61 -3.088 11.455 -4.933 1.00 0.00 C ATOM 0 HA PRO A 61 -1.606 12.765 -7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.915 14.621 -5.924 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.821 13.454 -6.867 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.085 13.366 -3.947 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.609 12.958 -4.710 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.831 11.037 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.873 10.826 -5.353 1.00 0.00 H new ATOM 918 N LYS A 62 -0.481 13.714 -4.591 1.00 0.00 N ATOM 919 CA LYS A 62 0.620 14.424 -3.951 1.00 0.00 C ATOM 920 C LYS A 62 0.981 13.780 -2.616 1.00 0.00 C ATOM 921 O LYS A 62 0.169 13.072 -2.019 1.00 0.00 O ATOM 922 CB LYS A 62 0.250 15.893 -3.738 1.00 0.00 C ATOM 923 CG LYS A 62 1.449 16.825 -3.712 1.00 0.00 C ATOM 924 CD LYS A 62 1.022 18.283 -3.703 1.00 0.00 C ATOM 925 CE LYS A 62 0.859 18.824 -5.117 1.00 0.00 C ATOM 926 NZ LYS A 62 2.169 19.174 -5.731 1.00 0.00 N ATOM 0 H LYS A 62 -1.157 13.312 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 62 1.488 14.366 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.427 16.207 -4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.295 15.989 -2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.054 16.617 -2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.078 16.635 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.081 18.385 -3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.763 18.877 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.356 18.080 -5.735 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.220 19.707 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.015 19.538 -6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.639 19.902 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.770 18.326 -5.774 1.00 0.00 H new ATOM 940 N ILE A 63 2.201 14.032 -2.153 1.00 0.00 N ATOM 941 CA ILE A 63 2.666 13.478 -0.887 1.00 0.00 C ATOM 942 C ILE A 63 3.074 14.584 0.079 1.00 0.00 C ATOM 943 O ILE A 63 3.842 15.478 -0.273 1.00 0.00 O ATOM 944 CB ILE A 63 3.859 12.527 -1.094 1.00 0.00 C ATOM 945 CG1 ILE A 63 3.440 11.324 -1.943 1.00 0.00 C ATOM 946 CG2 ILE A 63 4.410 12.068 0.247 1.00 0.00 C ATOM 947 CD1 ILE A 63 4.607 10.562 -2.530 1.00 0.00 C ATOM 0 H ILE A 63 2.885 14.616 -2.635 1.00 0.00 H new ATOM 0 HA ILE A 63 1.834 12.917 -0.463 1.00 0.00 H new ATOM 0 HB ILE A 63 4.645 13.066 -1.623 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.846 10.646 -1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.797 11.668 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.253 11.396 0.083 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.742 12.934 0.820 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.631 11.544 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.235 9.724 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.189 11.225 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.239 10.188 -1.725 1.00 0.00 H new ATOM 959 N ASN A 64 2.555 14.515 1.301 1.00 0.00 N ATOM 960 CA ASN A 64 2.865 15.512 2.320 1.00 0.00 C ATOM 961 C ASN A 64 4.076 15.085 3.146 1.00 0.00 C ATOM 962 O ASN A 64 3.945 14.354 4.126 1.00 0.00 O ATOM 963 CB ASN A 64 1.660 15.726 3.237 1.00 0.00 C ATOM 964 CG ASN A 64 0.408 16.103 2.467 1.00 0.00 C ATOM 965 OD1 ASN A 64 0.483 16.685 1.385 1.00 0.00 O ATOM 966 ND2 ASN A 64 -0.751 15.773 3.025 1.00 0.00 N ATOM 0 H ASN A 64 1.919 13.780 1.609 1.00 0.00 H new ATOM 0 HA ASN A 64 3.101 16.449 1.816 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.473 14.815 3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.890 16.510 3.958 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.627 16.002 2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.765 15.291 3.924 1.00 0.00 H new ATOM 973 N ARG A 65 5.253 15.548 2.740 1.00 0.00 N ATOM 974 CA ARG A 65 6.488 15.214 3.441 1.00 0.00 C ATOM 975 C ARG A 65 6.819 16.271 4.492 1.00 0.00 C ATOM 976 O ARG A 65 7.972 16.679 4.635 1.00 0.00 O ATOM 977 CB ARG A 65 7.645 15.088 2.449 1.00 0.00 C ATOM 978 CG ARG A 65 7.417 14.031 1.380 1.00 0.00 C ATOM 979 CD ARG A 65 8.564 13.990 0.383 1.00 0.00 C ATOM 980 NE ARG A 65 8.393 12.929 -0.605 1.00 0.00 N ATOM 981 CZ ARG A 65 9.075 12.868 -1.744 1.00 0.00 C ATOM 982 NH1 ARG A 65 9.966 13.804 -2.037 1.00 0.00 N ATOM 983 NH2 ARG A 65 8.863 11.870 -2.593 1.00 0.00 N ATOM 0 H ARG A 65 5.378 16.155 1.930 1.00 0.00 H new ATOM 0 HA ARG A 65 6.343 14.258 3.944 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.806 16.052 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 65 8.557 14.849 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.308 13.054 1.851 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.485 14.238 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.636 14.951 -0.126 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.503 13.841 0.916 1.00 0.00 H new ATOM 0 HE ARG A 65 7.713 12.194 -0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.130 14.573 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.488 13.755 -2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.176 11.149 -2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.387 11.824 -3.467 1.00 0.00 H new ATOM 997 N SER A 66 5.800 16.710 5.224 1.00 0.00 N ATOM 998 CA SER A 66 5.981 17.722 6.258 1.00 0.00 C ATOM 999 C SER A 66 5.917 17.095 7.647 1.00 0.00 C ATOM 1000 O SER A 66 5.663 15.900 7.791 1.00 0.00 O ATOM 1001 CB SER A 66 4.915 18.812 6.128 1.00 0.00 C ATOM 1002 OG SER A 66 5.400 20.058 6.596 1.00 0.00 O ATOM 0 H SER A 66 4.840 16.381 5.120 1.00 0.00 H new ATOM 0 HA SER A 66 6.966 18.170 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.611 18.905 5.085 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.028 18.527 6.695 1.00 0.00 H new ATOM 0 HG SER A 66 4.644 20.643 6.813 1.00 0.00 H new ATOM 1008 N MET A 67 6.151 17.913 8.669 1.00 0.00 N ATOM 1009 CA MET A 67 6.120 17.440 10.048 1.00 0.00 C ATOM 1010 C MET A 67 4.688 17.382 10.570 1.00 0.00 C ATOM 1011 O MET A 67 4.378 16.605 11.473 1.00 0.00 O ATOM 1012 CB MET A 67 6.964 18.351 10.941 1.00 0.00 C ATOM 1013 CG MET A 67 8.418 17.920 11.047 1.00 0.00 C ATOM 1014 SD MET A 67 8.642 16.487 12.118 1.00 0.00 S ATOM 1015 CE MET A 67 8.931 15.200 10.905 1.00 0.00 C ATOM 0 H MET A 67 6.364 18.905 8.568 1.00 0.00 H new ATOM 0 HA MET A 67 6.538 16.433 10.070 1.00 0.00 H new ATOM 0 HB2 MET A 67 6.923 19.368 10.551 1.00 0.00 H new ATOM 0 HB3 MET A 67 6.527 18.374 11.939 1.00 0.00 H new ATOM 0 HG2 MET A 67 8.797 17.688 10.052 1.00 0.00 H new ATOM 0 HG3 MET A 67 9.012 18.750 11.429 1.00 0.00 H new ATOM 0 HE1 MET A 67 9.594 14.444 11.327 1.00 0.00 H new ATOM 0 HE2 MET A 67 7.982 14.739 10.631 1.00 0.00 H new ATOM 0 HE3 MET A 67 9.393 15.633 10.018 1.00 0.00 H new ATOM 1025 N GLN A 68 3.820 18.210 9.997 1.00 0.00 N ATOM 1026 CA GLN A 68 2.421 18.252 10.406 1.00 0.00 C ATOM 1027 C GLN A 68 1.850 16.845 10.538 1.00 0.00 C ATOM 1028 O GLN A 68 1.861 16.068 9.584 1.00 0.00 O ATOM 1029 CB GLN A 68 1.597 19.058 9.401 1.00 0.00 C ATOM 1030 CG GLN A 68 1.838 20.557 9.480 1.00 0.00 C ATOM 1031 CD GLN A 68 3.049 20.997 8.682 1.00 0.00 C ATOM 1032 OE1 GLN A 68 2.981 21.152 7.463 1.00 0.00 O ATOM 1033 NE2 GLN A 68 4.168 21.201 9.368 1.00 0.00 N ATOM 0 H GLN A 68 4.061 18.860 9.249 1.00 0.00 H new ATOM 0 HA GLN A 68 2.368 18.738 11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.830 18.714 8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.539 18.859 9.569 1.00 0.00 H new ATOM 0 HG2 GLN A 68 0.956 21.083 9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.971 20.845 10.523 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.180 21.061 10.378 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.016 21.498 8.885 1.00 0.00 H new ATOM 1042 N ASN A 69 1.349 16.523 11.726 1.00 0.00 N ATOM 1043 CA ASN A 69 0.773 15.207 11.982 1.00 0.00 C ATOM 1044 C ASN A 69 -0.335 14.894 10.981 1.00 0.00 C ATOM 1045 O ASN A 69 -0.315 13.853 10.325 1.00 0.00 O ATOM 1046 CB ASN A 69 0.221 15.138 13.408 1.00 0.00 C ATOM 1047 CG ASN A 69 1.312 15.240 14.456 1.00 0.00 C ATOM 1048 OD1 ASN A 69 2.346 15.870 14.233 1.00 0.00 O ATOM 1049 ND2 ASN A 69 1.087 14.617 15.607 1.00 0.00 N ATOM 0 H ASN A 69 1.330 17.155 12.527 1.00 0.00 H new ATOM 0 HA ASN A 69 1.562 14.464 11.868 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.498 15.944 13.556 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.320 14.201 13.540 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.786 14.649 16.349 1.00 0.00 H new ATOM 0 HD22 ASN A 69 0.215 14.106 15.749 1.00 0.00 H new ATOM 1056 N TRP A 70 -1.298 15.801 10.869 1.00 0.00 N ATOM 1057 CA TRP A 70 -2.413 15.622 9.946 1.00 0.00 C ATOM 1058 C TRP A 70 -1.913 15.300 8.543 1.00 0.00 C ATOM 1059 O TRP A 70 -2.451 14.421 7.868 1.00 0.00 O ATOM 1060 CB TRP A 70 -3.283 16.880 9.914 1.00 0.00 C ATOM 1061 CG TRP A 70 -2.488 18.152 9.931 1.00 0.00 C ATOM 1062 CD1 TRP A 70 -2.098 18.889 8.851 1.00 0.00 C ATOM 1063 CD2 TRP A 70 -1.987 18.832 11.087 1.00 0.00 C ATOM 1064 NE1 TRP A 70 -1.384 19.988 9.264 1.00 0.00 N ATOM 1065 CE2 TRP A 70 -1.302 19.976 10.631 1.00 0.00 C ATOM 1066 CE3 TRP A 70 -2.049 18.589 12.461 1.00 0.00 C ATOM 1067 CZ2 TRP A 70 -0.687 20.871 11.502 1.00 0.00 C ATOM 1068 CZ3 TRP A 70 -1.438 19.477 13.324 1.00 0.00 C ATOM 1069 CH2 TRP A 70 -0.764 20.608 12.842 1.00 0.00 C ATOM 0 H TRP A 70 -1.330 16.668 11.406 1.00 0.00 H new ATOM 0 HA TRP A 70 -3.012 14.783 10.299 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.905 16.860 9.019 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -3.957 16.869 10.771 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.318 18.644 7.822 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -0.981 20.697 8.652 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -2.566 17.721 12.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -0.167 21.743 11.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -1.480 19.297 14.388 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -0.297 21.285 13.542 1.00 0.00 H new ATOM 1080 N HIS A 71 -0.880 16.014 8.108 1.00 0.00 N ATOM 1081 CA HIS A 71 -0.306 15.802 6.784 1.00 0.00 C ATOM 1082 C HIS A 71 0.128 14.351 6.606 1.00 0.00 C ATOM 1083 O HIS A 71 -0.355 13.655 5.714 1.00 0.00 O ATOM 1084 CB HIS A 71 0.887 16.734 6.567 1.00 0.00 C ATOM 1085 CG HIS A 71 0.515 18.054 5.965 1.00 0.00 C ATOM 1086 ND1 HIS A 71 1.389 19.117 5.884 1.00 0.00 N ATOM 1087 CD2 HIS A 71 -0.646 18.480 5.413 1.00 0.00 C ATOM 1088 CE1 HIS A 71 0.782 20.140 5.309 1.00 0.00 C ATOM 1089 NE2 HIS A 71 -0.454 19.779 5.013 1.00 0.00 N ATOM 0 H HIS A 71 -0.423 16.745 8.653 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.073 16.027 6.042 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.381 16.907 7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.611 16.240 5.919 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.554 17.905 5.307 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.222 21.107 5.114 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -1.152 20.370 4.561 1.00 0.00 H new ATOM 1098 N GLN A 72 1.042 13.902 7.460 1.00 0.00 N ATOM 1099 CA GLN A 72 1.541 12.534 7.395 1.00 0.00 C ATOM 1100 C GLN A 72 0.396 11.545 7.204 1.00 0.00 C ATOM 1101 O GLN A 72 0.443 10.688 6.320 1.00 0.00 O ATOM 1102 CB GLN A 72 2.320 12.191 8.667 1.00 0.00 C ATOM 1103 CG GLN A 72 3.794 12.558 8.596 1.00 0.00 C ATOM 1104 CD GLN A 72 4.047 14.020 8.906 1.00 0.00 C ATOM 1105 OE1 GLN A 72 3.490 14.909 8.262 1.00 0.00 O ATOM 1106 NE2 GLN A 72 4.891 14.277 9.898 1.00 0.00 N ATOM 0 H GLN A 72 1.452 14.466 8.205 1.00 0.00 H new ATOM 0 HA GLN A 72 2.209 12.459 6.537 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.866 12.709 9.512 1.00 0.00 H new ATOM 0 HB3 GLN A 72 2.229 11.122 8.862 1.00 0.00 H new ATOM 0 HG2 GLN A 72 4.353 11.940 9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.173 12.331 7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.331 13.509 10.406 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.100 15.242 10.153 1.00 0.00 H new ATOM 1115 N LEU A 73 -0.631 11.668 8.038 1.00 0.00 N ATOM 1116 CA LEU A 73 -1.789 10.784 7.960 1.00 0.00 C ATOM 1117 C LEU A 73 -2.351 10.746 6.544 1.00 0.00 C ATOM 1118 O LEU A 73 -2.504 9.677 5.955 1.00 0.00 O ATOM 1119 CB LEU A 73 -2.871 11.244 8.939 1.00 0.00 C ATOM 1120 CG LEU A 73 -2.821 10.622 10.336 1.00 0.00 C ATOM 1121 CD1 LEU A 73 -2.926 9.108 10.251 1.00 0.00 C ATOM 1122 CD2 LEU A 73 -1.543 11.031 11.055 1.00 0.00 C ATOM 0 H LEU A 73 -0.685 12.371 8.775 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.467 9.778 8.229 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.802 12.327 9.043 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.845 11.027 8.501 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.672 10.992 10.909 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.889 8.684 11.254 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.868 8.835 9.776 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.096 8.718 9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.523 10.580 12.047 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.679 10.690 10.484 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.510 12.116 11.149 1.00 0.00 H new ATOM 1134 N GLU A 74 -2.656 11.922 6.002 1.00 0.00 N ATOM 1135 CA GLU A 74 -3.200 12.022 4.653 1.00 0.00 C ATOM 1136 C GLU A 74 -2.532 11.016 3.720 1.00 0.00 C ATOM 1137 O GLU A 74 -3.205 10.282 2.998 1.00 0.00 O ATOM 1138 CB GLU A 74 -3.015 13.439 4.107 1.00 0.00 C ATOM 1139 CG GLU A 74 -3.807 13.713 2.841 1.00 0.00 C ATOM 1140 CD GLU A 74 -3.840 15.186 2.479 1.00 0.00 C ATOM 1141 OE1 GLU A 74 -4.565 15.946 3.154 1.00 0.00 O ATOM 1142 OE2 GLU A 74 -3.141 15.577 1.521 1.00 0.00 O ATOM 0 H GLU A 74 -2.536 12.817 6.476 1.00 0.00 H new ATOM 0 HA GLU A 74 -4.265 11.795 4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.312 14.156 4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.957 13.606 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.371 13.150 2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.827 13.352 2.970 1.00 0.00 H new ATOM 1149 N ASN A 75 -1.204 10.988 3.742 1.00 0.00 N ATOM 1150 CA ASN A 75 -0.444 10.073 2.899 1.00 0.00 C ATOM 1151 C ASN A 75 -1.069 8.682 2.904 1.00 0.00 C ATOM 1152 O ASN A 75 -1.475 8.167 1.860 1.00 0.00 O ATOM 1153 CB ASN A 75 1.008 9.994 3.376 1.00 0.00 C ATOM 1154 CG ASN A 75 1.740 11.313 3.223 1.00 0.00 C ATOM 1155 OD1 ASN A 75 1.281 12.212 2.519 1.00 0.00 O ATOM 1156 ND2 ASN A 75 2.886 11.433 3.884 1.00 0.00 N ATOM 0 H ASN A 75 -0.631 11.589 4.335 1.00 0.00 H new ATOM 0 HA ASN A 75 -0.464 10.457 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.028 9.690 4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.532 9.223 2.811 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.424 12.297 3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.228 10.661 4.456 1.00 0.00 H new ATOM 1163 N LEU A 76 -1.145 8.078 4.085 1.00 0.00 N ATOM 1164 CA LEU A 76 -1.722 6.745 4.227 1.00 0.00 C ATOM 1165 C LEU A 76 -3.149 6.709 3.687 1.00 0.00 C ATOM 1166 O LEU A 76 -3.495 5.848 2.879 1.00 0.00 O ATOM 1167 CB LEU A 76 -1.710 6.317 5.695 1.00 0.00 C ATOM 1168 CG LEU A 76 -0.332 6.202 6.349 1.00 0.00 C ATOM 1169 CD1 LEU A 76 -0.466 5.792 7.808 1.00 0.00 C ATOM 1170 CD2 LEU A 76 0.537 5.208 5.592 1.00 0.00 C ATOM 0 H LEU A 76 -0.815 8.490 4.958 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.116 6.050 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.303 7.032 6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.210 5.352 5.776 1.00 0.00 H new ATOM 0 HG LEU A 76 0.150 7.179 6.310 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.524 5.715 8.257 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.050 6.540 8.344 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.968 4.827 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.513 5.139 6.072 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.060 4.228 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.661 5.544 4.562 1.00 0.00 H new ATOM 1182 N SER A 77 -3.971 7.652 4.138 1.00 0.00 N ATOM 1183 CA SER A 77 -5.360 7.726 3.701 1.00 0.00 C ATOM 1184 C SER A 77 -5.456 7.645 2.180 1.00 0.00 C ATOM 1185 O SER A 77 -6.355 7.004 1.638 1.00 0.00 O ATOM 1186 CB SER A 77 -6.002 9.024 4.195 1.00 0.00 C ATOM 1187 OG SER A 77 -6.183 9.001 5.600 1.00 0.00 O ATOM 0 H SER A 77 -3.699 8.374 4.805 1.00 0.00 H new ATOM 0 HA SER A 77 -5.896 6.878 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.374 9.872 3.920 1.00 0.00 H new ATOM 0 HB3 SER A 77 -6.964 9.167 3.704 1.00 0.00 H new ATOM 0 HG SER A 77 -6.593 9.842 5.891 1.00 0.00 H new ATOM 1193 N ASN A 78 -4.522 8.301 1.498 1.00 0.00 N ATOM 1194 CA ASN A 78 -4.502 8.304 0.040 1.00 0.00 C ATOM 1195 C ASN A 78 -3.994 6.970 -0.499 1.00 0.00 C ATOM 1196 O ASN A 78 -4.647 6.333 -1.326 1.00 0.00 O ATOM 1197 CB ASN A 78 -3.621 9.443 -0.476 1.00 0.00 C ATOM 1198 CG ASN A 78 -4.278 10.801 -0.313 1.00 0.00 C ATOM 1199 OD1 ASN A 78 -5.503 10.909 -0.274 1.00 0.00 O ATOM 1200 ND2 ASN A 78 -3.462 11.844 -0.217 1.00 0.00 N ATOM 0 H ASN A 78 -3.770 8.837 1.932 1.00 0.00 H new ATOM 0 HA ASN A 78 -5.522 8.454 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.671 9.435 0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.395 9.276 -1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -3.845 12.783 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -2.452 11.706 -0.254 1.00 0.00 H new ATOM 1207 N PHE A 79 -2.825 6.552 -0.025 1.00 0.00 N ATOM 1208 CA PHE A 79 -2.229 5.294 -0.460 1.00 0.00 C ATOM 1209 C PHE A 79 -3.231 4.148 -0.342 1.00 0.00 C ATOM 1210 O PHE A 79 -3.309 3.287 -1.218 1.00 0.00 O ATOM 1211 CB PHE A 79 -0.981 4.982 0.370 1.00 0.00 C ATOM 1212 CG PHE A 79 -0.506 3.565 0.229 1.00 0.00 C ATOM 1213 CD1 PHE A 79 -0.419 2.970 -1.019 1.00 0.00 C ATOM 1214 CD2 PHE A 79 -0.147 2.827 1.345 1.00 0.00 C ATOM 1215 CE1 PHE A 79 0.017 1.665 -1.151 1.00 0.00 C ATOM 1216 CE2 PHE A 79 0.290 1.521 1.219 1.00 0.00 C ATOM 1217 CZ PHE A 79 0.374 0.941 -0.031 1.00 0.00 C ATOM 0 H PHE A 79 -2.272 7.066 0.660 1.00 0.00 H new ATOM 0 HA PHE A 79 -1.944 5.399 -1.507 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.179 5.657 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -1.193 5.183 1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -0.695 3.532 -1.899 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.209 3.277 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.078 1.212 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 79 0.565 0.956 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 79 0.718 -0.078 -0.133 1.00 0.00 H new ATOM 1227 N ILE A 80 -3.993 4.146 0.746 1.00 0.00 N ATOM 1228 CA ILE A 80 -4.989 3.108 0.979 1.00 0.00 C ATOM 1229 C ILE A 80 -6.049 3.107 -0.118 1.00 0.00 C ATOM 1230 O ILE A 80 -6.222 2.117 -0.829 1.00 0.00 O ATOM 1231 CB ILE A 80 -5.680 3.286 2.344 1.00 0.00 C ATOM 1232 CG1 ILE A 80 -4.670 3.102 3.478 1.00 0.00 C ATOM 1233 CG2 ILE A 80 -6.831 2.302 2.487 1.00 0.00 C ATOM 1234 CD1 ILE A 80 -5.081 3.777 4.768 1.00 0.00 C ATOM 0 H ILE A 80 -3.940 4.852 1.480 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.459 2.155 0.971 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.083 4.297 2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.533 2.036 3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.705 3.497 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.309 2.440 3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.559 2.476 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -6.450 1.283 2.412 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.318 3.605 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.190 4.848 4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.031 3.365 5.108 1.00 0.00 H new ATOM 1246 N LYS A 81 -6.754 4.226 -0.253 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.795 4.358 -1.265 1.00 0.00 C ATOM 1248 C LYS A 81 -7.279 3.930 -2.635 1.00 0.00 C ATOM 1249 O LYS A 81 -8.004 3.319 -3.419 1.00 0.00 O ATOM 1250 CB LYS A 81 -8.296 5.802 -1.326 1.00 0.00 C ATOM 1251 CG LYS A 81 -9.039 6.241 -0.074 1.00 0.00 C ATOM 1252 CD LYS A 81 -10.511 5.869 -0.141 1.00 0.00 C ATOM 1253 CE LYS A 81 -11.236 6.238 1.144 1.00 0.00 C ATOM 1254 NZ LYS A 81 -11.159 5.149 2.157 1.00 0.00 N ATOM 0 H LYS A 81 -6.623 5.055 0.327 1.00 0.00 H new ATOM 0 HA LYS A 81 -8.622 3.705 -0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.447 6.466 -1.486 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.955 5.913 -2.187 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.585 5.777 0.801 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.940 7.319 0.050 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.979 6.379 -0.983 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.609 4.799 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.803 7.149 1.557 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.281 6.454 0.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -11.665 5.439 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.595 4.286 1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -10.163 4.960 2.388 1.00 0.00 H new ATOM 1268 N ALA A 82 -6.021 4.253 -2.916 1.00 0.00 N ATOM 1269 CA ALA A 82 -5.407 3.899 -4.189 1.00 0.00 C ATOM 1270 C ALA A 82 -5.386 2.386 -4.387 1.00 0.00 C ATOM 1271 O ALA A 82 -5.642 1.892 -5.485 1.00 0.00 O ATOM 1272 CB ALA A 82 -3.996 4.462 -4.270 1.00 0.00 C ATOM 0 H ALA A 82 -5.407 4.760 -2.278 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.007 4.336 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.550 4.189 -5.226 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.032 5.548 -4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.394 4.053 -3.459 1.00 0.00 H new ATOM 1278 N MET A 83 -5.081 1.658 -3.318 1.00 0.00 N ATOM 1279 CA MET A 83 -5.028 0.202 -3.376 1.00 0.00 C ATOM 1280 C MET A 83 -6.374 -0.374 -3.799 1.00 0.00 C ATOM 1281 O MET A 83 -6.446 -1.225 -4.687 1.00 0.00 O ATOM 1282 CB MET A 83 -4.620 -0.369 -2.016 1.00 0.00 C ATOM 1283 CG MET A 83 -3.143 -0.196 -1.703 1.00 0.00 C ATOM 1284 SD MET A 83 -2.577 -1.296 -0.391 1.00 0.00 S ATOM 1285 CE MET A 83 -3.028 -0.351 1.062 1.00 0.00 C ATOM 0 H MET A 83 -4.867 2.052 -2.402 1.00 0.00 H new ATOM 0 HA MET A 83 -4.282 -0.081 -4.119 1.00 0.00 H new ATOM 0 HB2 MET A 83 -5.207 0.116 -1.236 1.00 0.00 H new ATOM 0 HB3 MET A 83 -4.867 -1.430 -1.988 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.560 -0.383 -2.605 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.956 0.837 -1.411 1.00 0.00 H new ATOM 0 HE1 MET A 83 -2.941 -0.981 1.947 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.362 0.506 1.160 1.00 0.00 H new ATOM 0 HE3 MET A 83 -4.056 -0.002 0.965 1.00 0.00 H new ATOM 1295 N VAL A 84 -7.442 0.092 -3.158 1.00 0.00 N ATOM 1296 CA VAL A 84 -8.786 -0.377 -3.469 1.00 0.00 C ATOM 1297 C VAL A 84 -9.051 -0.332 -4.969 1.00 0.00 C ATOM 1298 O VAL A 84 -9.662 -1.240 -5.530 1.00 0.00 O ATOM 1299 CB VAL A 84 -9.856 0.464 -2.744 1.00 0.00 C ATOM 1300 CG1 VAL A 84 -11.248 0.085 -3.225 1.00 0.00 C ATOM 1301 CG2 VAL A 84 -9.737 0.290 -1.237 1.00 0.00 C ATOM 0 H VAL A 84 -7.401 0.795 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 84 -8.849 -1.409 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.690 1.515 -2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.990 0.688 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.324 0.265 -4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.429 -0.970 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.499 0.890 -0.740 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.877 -0.760 -0.980 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.749 0.615 -0.910 1.00 0.00 H new ATOM 1311 N SER A 85 -8.586 0.734 -5.614 1.00 0.00 N ATOM 1312 CA SER A 85 -8.775 0.900 -7.051 1.00 0.00 C ATOM 1313 C SER A 85 -8.000 -0.161 -7.827 1.00 0.00 C ATOM 1314 O SER A 85 -8.490 -0.703 -8.818 1.00 0.00 O ATOM 1315 CB SER A 85 -8.329 2.296 -7.487 1.00 0.00 C ATOM 1316 OG SER A 85 -8.703 2.556 -8.829 1.00 0.00 O ATOM 0 H SER A 85 -8.076 1.495 -5.165 1.00 0.00 H new ATOM 0 HA SER A 85 -9.836 0.781 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.774 3.044 -6.831 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.247 2.384 -7.384 1.00 0.00 H new ATOM 0 HG SER A 85 -8.408 3.455 -9.083 1.00 0.00 H new ATOM 1322 N TYR A 86 -6.787 -0.449 -7.371 1.00 0.00 N ATOM 1323 CA TYR A 86 -5.941 -1.442 -8.023 1.00 0.00 C ATOM 1324 C TYR A 86 -6.703 -2.745 -8.244 1.00 0.00 C ATOM 1325 O TYR A 86 -6.609 -3.359 -9.306 1.00 0.00 O ATOM 1326 CB TYR A 86 -4.689 -1.706 -7.184 1.00 0.00 C ATOM 1327 CG TYR A 86 -3.502 -2.168 -7.998 1.00 0.00 C ATOM 1328 CD1 TYR A 86 -3.005 -1.394 -9.039 1.00 0.00 C ATOM 1329 CD2 TYR A 86 -2.878 -3.380 -7.727 1.00 0.00 C ATOM 1330 CE1 TYR A 86 -1.920 -1.813 -9.786 1.00 0.00 C ATOM 1331 CE2 TYR A 86 -1.793 -3.806 -8.468 1.00 0.00 C ATOM 1332 CZ TYR A 86 -1.317 -3.019 -9.497 1.00 0.00 C ATOM 1333 OH TYR A 86 -0.237 -3.441 -10.237 1.00 0.00 O ATOM 0 H TYR A 86 -6.367 -0.009 -6.552 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.643 -1.047 -8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.420 -0.794 -6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -4.919 -2.460 -6.431 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -3.474 -0.449 -9.269 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.248 -3.999 -6.923 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -1.546 -1.199 -10.592 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.319 -4.750 -8.243 1.00 0.00 H new ATOM 0 HH TYR A 86 0.590 -3.254 -9.745 1.00 0.00 H new ATOM 1343 N GLY A 87 -7.458 -3.161 -7.232 1.00 0.00 N ATOM 1344 CA GLY A 87 -8.226 -4.388 -7.335 1.00 0.00 C ATOM 1345 C GLY A 87 -8.028 -5.298 -6.138 1.00 0.00 C ATOM 1346 O GLY A 87 -8.122 -6.519 -6.257 1.00 0.00 O ATOM 0 H GLY A 87 -7.552 -2.670 -6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -9.284 -4.144 -7.431 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.938 -4.918 -8.243 1.00 0.00 H new ATOM 1350 N MET A 88 -7.751 -4.702 -4.983 1.00 0.00 N ATOM 1351 CA MET A 88 -7.537 -5.468 -3.761 1.00 0.00 C ATOM 1352 C MET A 88 -8.840 -5.621 -2.982 1.00 0.00 C ATOM 1353 O MET A 88 -9.830 -4.951 -3.271 1.00 0.00 O ATOM 1354 CB MET A 88 -6.483 -4.789 -2.885 1.00 0.00 C ATOM 1355 CG MET A 88 -5.114 -4.705 -3.539 1.00 0.00 C ATOM 1356 SD MET A 88 -4.122 -6.186 -3.270 1.00 0.00 S ATOM 1357 CE MET A 88 -3.627 -5.957 -1.564 1.00 0.00 C ATOM 0 H MET A 88 -7.670 -3.692 -4.868 1.00 0.00 H new ATOM 0 HA MET A 88 -7.181 -6.460 -4.041 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.821 -3.783 -2.638 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.395 -5.336 -1.946 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.237 -4.545 -4.610 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.581 -3.839 -3.146 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.557 -5.756 -1.520 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.172 -5.116 -1.137 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.850 -6.860 -0.996 1.00 0.00 H new ATOM 1367 N ASN A 89 -8.831 -6.508 -1.992 1.00 0.00 N ATOM 1368 CA ASN A 89 -10.013 -6.750 -1.171 1.00 0.00 C ATOM 1369 C ASN A 89 -10.067 -5.779 0.004 1.00 0.00 C ATOM 1370 O ASN A 89 -9.056 -5.213 0.421 1.00 0.00 O ATOM 1371 CB ASN A 89 -10.017 -8.191 -0.657 1.00 0.00 C ATOM 1372 CG ASN A 89 -10.725 -9.141 -1.605 1.00 0.00 C ATOM 1373 OD1 ASN A 89 -10.846 -8.869 -2.799 1.00 0.00 O ATOM 1374 ND2 ASN A 89 -11.199 -10.262 -1.073 1.00 0.00 N ATOM 0 H ASN A 89 -8.019 -7.071 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.895 -6.591 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.990 -8.525 -0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.504 -8.225 0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -11.686 -10.939 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -11.075 -10.446 -0.077 1.00 0.00 H new ATOM 1381 N PRO A 90 -11.275 -5.580 0.553 1.00 0.00 N ATOM 1382 CA PRO A 90 -11.490 -4.679 1.689 1.00 0.00 C ATOM 1383 C PRO A 90 -10.883 -5.218 2.980 1.00 0.00 C ATOM 1384 O PRO A 90 -10.865 -4.534 4.003 1.00 0.00 O ATOM 1385 CB PRO A 90 -13.014 -4.610 1.803 1.00 0.00 C ATOM 1386 CG PRO A 90 -13.498 -5.884 1.202 1.00 0.00 C ATOM 1387 CD PRO A 90 -12.523 -6.222 0.107 1.00 0.00 C ATOM 0 HA PRO A 90 -11.016 -3.710 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.329 -4.518 2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.412 -3.746 1.271 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -13.537 -6.677 1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -14.507 -5.770 0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -12.403 -7.299 -0.006 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -12.852 -5.835 -0.858 1.00 0.00 H new ATOM 1395 N VAL A 91 -10.385 -6.450 2.925 1.00 0.00 N ATOM 1396 CA VAL A 91 -9.777 -7.081 4.090 1.00 0.00 C ATOM 1397 C VAL A 91 -8.255 -7.060 3.993 1.00 0.00 C ATOM 1398 O VAL A 91 -7.557 -7.360 4.961 1.00 0.00 O ATOM 1399 CB VAL A 91 -10.250 -8.537 4.252 1.00 0.00 C ATOM 1400 CG1 VAL A 91 -11.766 -8.597 4.362 1.00 0.00 C ATOM 1401 CG2 VAL A 91 -9.758 -9.389 3.092 1.00 0.00 C ATOM 0 H VAL A 91 -10.391 -7.030 2.086 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.092 -6.507 4.961 1.00 0.00 H new ATOM 0 HB VAL A 91 -9.826 -8.938 5.173 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.082 -9.634 4.476 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.091 -8.021 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.213 -8.179 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -10.102 -10.415 3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.151 -8.991 2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.668 -9.372 3.064 1.00 0.00 H new ATOM 1411 N ASP A 92 -7.748 -6.705 2.818 1.00 0.00 N ATOM 1412 CA ASP A 92 -6.307 -6.643 2.594 1.00 0.00 C ATOM 1413 C ASP A 92 -5.800 -5.210 2.713 1.00 0.00 C ATOM 1414 O ASP A 92 -4.701 -4.889 2.257 1.00 0.00 O ATOM 1415 CB ASP A 92 -5.960 -7.209 1.217 1.00 0.00 C ATOM 1416 CG ASP A 92 -6.006 -8.724 1.184 1.00 0.00 C ATOM 1417 OD1 ASP A 92 -7.122 -9.282 1.118 1.00 0.00 O ATOM 1418 OD2 ASP A 92 -4.928 -9.351 1.224 1.00 0.00 O ATOM 0 H ASP A 92 -8.312 -6.456 2.006 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.818 -7.246 3.359 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.656 -6.811 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.964 -6.873 0.930 1.00 0.00 H new ATOM 1423 N LEU A 93 -6.606 -4.352 3.326 1.00 0.00 N ATOM 1424 CA LEU A 93 -6.239 -2.951 3.504 1.00 0.00 C ATOM 1425 C LEU A 93 -5.887 -2.660 4.959 1.00 0.00 C ATOM 1426 O LEU A 93 -6.011 -3.528 5.825 1.00 0.00 O ATOM 1427 CB LEU A 93 -7.384 -2.041 3.053 1.00 0.00 C ATOM 1428 CG LEU A 93 -7.839 -2.206 1.603 1.00 0.00 C ATOM 1429 CD1 LEU A 93 -9.155 -1.478 1.371 1.00 0.00 C ATOM 1430 CD2 LEU A 93 -6.770 -1.696 0.647 1.00 0.00 C ATOM 0 H LEU A 93 -7.518 -4.601 3.709 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.361 -2.751 2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.240 -2.218 3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.079 -1.005 3.202 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.995 -3.267 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.464 -1.606 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.919 -1.889 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.026 -0.417 1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.111 -1.821 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.582 -0.640 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.850 -2.261 0.795 1.00 0.00 H new ATOM 1442 N PHE A 94 -5.449 -1.433 5.224 1.00 0.00 N ATOM 1443 CA PHE A 94 -5.081 -1.028 6.575 1.00 0.00 C ATOM 1444 C PHE A 94 -5.443 0.434 6.823 1.00 0.00 C ATOM 1445 O PHE A 94 -5.436 1.250 5.901 1.00 0.00 O ATOM 1446 CB PHE A 94 -3.583 -1.239 6.804 1.00 0.00 C ATOM 1447 CG PHE A 94 -2.716 -0.387 5.922 1.00 0.00 C ATOM 1448 CD1 PHE A 94 -2.321 0.877 6.329 1.00 0.00 C ATOM 1449 CD2 PHE A 94 -2.297 -0.849 4.685 1.00 0.00 C ATOM 1450 CE1 PHE A 94 -1.523 1.664 5.521 1.00 0.00 C ATOM 1451 CE2 PHE A 94 -1.499 -0.067 3.871 1.00 0.00 C ATOM 1452 CZ PHE A 94 -1.112 1.191 4.289 1.00 0.00 C ATOM 0 H PHE A 94 -5.341 -0.702 4.520 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.640 -1.647 7.277 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -3.349 -1.024 7.847 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -3.342 -2.288 6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.641 1.252 7.290 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.597 -1.832 4.353 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.221 2.647 5.851 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -1.179 -0.439 2.909 1.00 0.00 H new ATOM 0 HZ PHE A 94 -0.489 1.804 3.654 1.00 0.00 H new ATOM 1462 N GLU A 95 -5.760 0.756 8.073 1.00 0.00 N ATOM 1463 CA GLU A 95 -6.126 2.119 8.440 1.00 0.00 C ATOM 1464 C GLU A 95 -4.885 2.991 8.598 1.00 0.00 C ATOM 1465 O GLU A 95 -3.773 2.487 8.746 1.00 0.00 O ATOM 1466 CB GLU A 95 -6.933 2.120 9.741 1.00 0.00 C ATOM 1467 CG GLU A 95 -8.433 1.996 9.527 1.00 0.00 C ATOM 1468 CD GLU A 95 -9.213 2.046 10.825 1.00 0.00 C ATOM 1469 OE1 GLU A 95 -8.653 1.652 11.870 1.00 0.00 O ATOM 1470 OE2 GLU A 95 -10.384 2.479 10.798 1.00 0.00 O ATOM 0 H GLU A 95 -5.771 0.093 8.848 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.739 2.532 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.595 1.296 10.369 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.727 3.041 10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.771 2.800 8.873 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -8.647 1.058 9.015 1.00 0.00 H new ATOM 1477 N ALA A 96 -5.084 4.305 8.565 1.00 0.00 N ATOM 1478 CA ALA A 96 -3.984 5.250 8.706 1.00 0.00 C ATOM 1479 C ALA A 96 -3.372 5.176 10.101 1.00 0.00 C ATOM 1480 O ALA A 96 -2.161 5.310 10.267 1.00 0.00 O ATOM 1481 CB ALA A 96 -4.459 6.664 8.409 1.00 0.00 C ATOM 0 H ALA A 96 -5.999 4.739 8.442 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.212 4.981 7.985 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -3.626 7.358 8.519 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.840 6.713 7.389 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.252 6.936 9.106 1.00 0.00 H new ATOM 1487 N ASN A 97 -4.220 4.964 11.102 1.00 0.00 N ATOM 1488 CA ASN A 97 -3.763 4.875 12.485 1.00 0.00 C ATOM 1489 C ASN A 97 -2.911 3.627 12.697 1.00 0.00 C ATOM 1490 O ASN A 97 -1.911 3.660 13.413 1.00 0.00 O ATOM 1491 CB ASN A 97 -4.959 4.858 13.439 1.00 0.00 C ATOM 1492 CG ASN A 97 -6.083 5.763 12.974 1.00 0.00 C ATOM 1493 OD1 ASN A 97 -5.958 6.988 12.996 1.00 0.00 O ATOM 1494 ND2 ASN A 97 -7.188 5.162 12.550 1.00 0.00 N ATOM 0 H ASN A 97 -5.227 4.851 10.982 1.00 0.00 H new ATOM 0 HA ASN A 97 -3.151 5.752 12.696 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.332 3.838 13.531 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.633 5.169 14.431 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.978 5.719 12.225 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.247 4.144 12.550 1.00 0.00 H new ATOM 1501 N ASP A 98 -3.316 2.528 12.069 1.00 0.00 N ATOM 1502 CA ASP A 98 -2.589 1.269 12.187 1.00 0.00 C ATOM 1503 C ASP A 98 -1.084 1.500 12.102 1.00 0.00 C ATOM 1504 O ASP A 98 -0.314 0.937 12.882 1.00 0.00 O ATOM 1505 CB ASP A 98 -3.031 0.297 11.091 1.00 0.00 C ATOM 1506 CG ASP A 98 -4.399 -0.299 11.361 1.00 0.00 C ATOM 1507 OD1 ASP A 98 -4.871 -0.200 12.513 1.00 0.00 O ATOM 1508 OD2 ASP A 98 -4.997 -0.862 10.421 1.00 0.00 O ATOM 0 H ASP A 98 -4.143 2.484 11.474 1.00 0.00 H new ATOM 0 HA ASP A 98 -2.817 0.836 13.161 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.047 0.817 10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.299 -0.506 11.005 1.00 0.00 H new ATOM 1513 N LEU A 99 -0.671 2.331 11.153 1.00 0.00 N ATOM 1514 CA LEU A 99 0.744 2.636 10.965 1.00 0.00 C ATOM 1515 C LEU A 99 1.149 3.860 11.781 1.00 0.00 C ATOM 1516 O LEU A 99 2.143 3.834 12.506 1.00 0.00 O ATOM 1517 CB LEU A 99 1.043 2.874 9.484 1.00 0.00 C ATOM 1518 CG LEU A 99 2.519 2.852 9.086 1.00 0.00 C ATOM 1519 CD1 LEU A 99 3.096 1.455 9.255 1.00 0.00 C ATOM 1520 CD2 LEU A 99 2.692 3.332 7.652 1.00 0.00 C ATOM 0 H LEU A 99 -1.295 2.806 10.501 1.00 0.00 H new ATOM 0 HA LEU A 99 1.324 1.781 11.313 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.519 2.116 8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.625 3.840 9.200 1.00 0.00 H new ATOM 0 HG LEU A 99 3.063 3.530 9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.147 1.458 8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.006 1.148 10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.549 0.756 8.622 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.749 3.310 7.386 1.00 0.00 H new ATOM 0 HD22 LEU A 99 2.135 2.679 6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.317 4.351 7.562 1.00 0.00 H new ATOM 1532 N PHE A 100 0.371 4.931 11.658 1.00 0.00 N ATOM 1533 CA PHE A 100 0.648 6.164 12.385 1.00 0.00 C ATOM 1534 C PHE A 100 0.900 5.880 13.862 1.00 0.00 C ATOM 1535 O PHE A 100 1.998 6.105 14.370 1.00 0.00 O ATOM 1536 CB PHE A 100 -0.519 7.142 12.234 1.00 0.00 C ATOM 1537 CG PHE A 100 -0.187 8.542 12.670 1.00 0.00 C ATOM 1538 CD1 PHE A 100 0.735 9.301 11.968 1.00 0.00 C ATOM 1539 CD2 PHE A 100 -0.799 9.097 13.782 1.00 0.00 C ATOM 1540 CE1 PHE A 100 1.042 10.588 12.367 1.00 0.00 C ATOM 1541 CE2 PHE A 100 -0.498 10.384 14.185 1.00 0.00 C ATOM 1542 CZ PHE A 100 0.426 11.129 13.478 1.00 0.00 C ATOM 0 H PHE A 100 -0.456 4.969 11.062 1.00 0.00 H new ATOM 0 HA PHE A 100 1.547 6.612 11.961 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -0.835 7.160 11.191 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -1.365 6.779 12.818 1.00 0.00 H new ATOM 0 HD1 PHE A 100 1.220 8.882 11.099 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.519 8.517 14.340 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.762 11.170 11.811 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -0.984 10.807 15.052 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.666 12.133 13.794 1.00 0.00 H new ATOM 1552 N GLU A 101 -0.126 5.385 14.547 1.00 0.00 N ATOM 1553 CA GLU A 101 -0.016 5.071 15.967 1.00 0.00 C ATOM 1554 C GLU A 101 0.247 3.583 16.177 1.00 0.00 C ATOM 1555 O GLU A 101 -0.232 2.987 17.142 1.00 0.00 O ATOM 1556 CB GLU A 101 -1.293 5.484 16.703 1.00 0.00 C ATOM 1557 CG GLU A 101 -1.663 6.944 16.507 1.00 0.00 C ATOM 1558 CD GLU A 101 -2.405 7.523 17.696 1.00 0.00 C ATOM 1559 OE1 GLU A 101 -1.753 7.791 18.728 1.00 0.00 O ATOM 1560 OE2 GLU A 101 -3.635 7.709 17.596 1.00 0.00 O ATOM 0 H GLU A 101 -1.042 5.193 14.142 1.00 0.00 H new ATOM 0 HA GLU A 101 0.826 5.631 16.373 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.118 4.860 16.360 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.167 5.290 17.768 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -0.757 7.524 16.331 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.282 7.041 15.615 1.00 0.00 H new ATOM 1567 N SER A 102 1.009 2.988 15.266 1.00 0.00 N ATOM 1568 CA SER A 102 1.333 1.569 15.347 1.00 0.00 C ATOM 1569 C SER A 102 0.120 0.760 15.802 1.00 0.00 C ATOM 1570 O SER A 102 0.259 -0.324 16.363 1.00 0.00 O ATOM 1571 CB SER A 102 2.499 1.344 16.311 1.00 0.00 C ATOM 1572 OG SER A 102 2.121 1.635 17.645 1.00 0.00 O ATOM 0 H SER A 102 1.414 3.467 14.462 1.00 0.00 H new ATOM 0 HA SER A 102 1.623 1.231 14.352 1.00 0.00 H new ATOM 0 HB2 SER A 102 2.837 0.310 16.243 1.00 0.00 H new ATOM 0 HB3 SER A 102 3.340 1.974 16.022 1.00 0.00 H new ATOM 0 HG SER A 102 1.245 2.075 17.648 1.00 0.00 H new ATOM 1578 N GLY A 103 -1.070 1.300 15.552 1.00 0.00 N ATOM 1579 CA GLY A 103 -2.290 0.617 15.941 1.00 0.00 C ATOM 1580 C GLY A 103 -2.399 -0.767 15.333 1.00 0.00 C ATOM 1581 O GLY A 103 -3.236 -1.570 15.745 1.00 0.00 O ATOM 0 H GLY A 103 -1.210 2.197 15.088 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -2.327 0.537 17.027 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.150 1.213 15.636 1.00 0.00 H new ATOM 1585 N ASN A 104 -1.553 -1.046 14.346 1.00 0.00 N ATOM 1586 CA ASN A 104 -1.561 -2.342 13.677 1.00 0.00 C ATOM 1587 C ASN A 104 -0.420 -2.439 12.668 1.00 0.00 C ATOM 1588 O ASN A 104 -0.413 -1.740 11.656 1.00 0.00 O ATOM 1589 CB ASN A 104 -2.900 -2.569 12.974 1.00 0.00 C ATOM 1590 CG ASN A 104 -3.277 -4.037 12.910 1.00 0.00 C ATOM 1591 OD1 ASN A 104 -2.413 -4.908 12.814 1.00 0.00 O ATOM 1592 ND2 ASN A 104 -4.575 -4.316 12.963 1.00 0.00 N ATOM 0 H ASN A 104 -0.854 -0.393 13.992 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.421 -3.115 14.433 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.681 -2.019 13.499 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.850 -2.165 11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.890 -5.285 12.924 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.256 -3.561 13.043 1.00 0.00 H new ATOM 1599 N MET A 105 0.540 -3.313 12.951 1.00 0.00 N ATOM 1600 CA MET A 105 1.684 -3.504 12.067 1.00 0.00 C ATOM 1601 C MET A 105 1.529 -4.779 11.244 1.00 0.00 C ATOM 1602 O MET A 105 2.275 -5.011 10.291 1.00 0.00 O ATOM 1603 CB MET A 105 2.979 -3.562 12.878 1.00 0.00 C ATOM 1604 CG MET A 105 3.636 -2.205 13.073 1.00 0.00 C ATOM 1605 SD MET A 105 4.814 -1.810 11.766 1.00 0.00 S ATOM 1606 CE MET A 105 3.712 -1.593 10.371 1.00 0.00 C ATOM 0 H MET A 105 0.549 -3.900 13.785 1.00 0.00 H new ATOM 0 HA MET A 105 1.729 -2.655 11.385 1.00 0.00 H new ATOM 0 HB2 MET A 105 2.767 -3.998 13.855 1.00 0.00 H new ATOM 0 HB3 MET A 105 3.682 -4.228 12.378 1.00 0.00 H new ATOM 0 HG2 MET A 105 2.866 -1.434 13.108 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.148 -2.188 14.035 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.233 -1.061 9.575 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.391 -2.569 10.005 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.840 -1.018 10.682 1.00 0.00 H new ATOM 1616 N THR A 106 0.554 -5.603 11.615 1.00 0.00 N ATOM 1617 CA THR A 106 0.301 -6.854 10.912 1.00 0.00 C ATOM 1618 C THR A 106 -0.590 -6.631 9.695 1.00 0.00 C ATOM 1619 O THR A 106 -0.397 -7.254 8.652 1.00 0.00 O ATOM 1620 CB THR A 106 -0.361 -7.894 11.836 1.00 0.00 C ATOM 1621 OG1 THR A 106 -1.733 -7.550 12.058 1.00 0.00 O ATOM 1622 CG2 THR A 106 0.369 -7.975 13.168 1.00 0.00 C ATOM 0 H THR A 106 -0.074 -5.426 12.399 1.00 0.00 H new ATOM 0 HA THR A 106 1.269 -7.234 10.585 1.00 0.00 H new ATOM 0 HB THR A 106 -0.306 -8.868 11.349 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.796 -6.606 12.312 1.00 0.00 H new ATOM 0 HG21 THR A 106 -0.116 -8.715 13.804 1.00 0.00 H new ATOM 0 HG22 THR A 106 1.406 -8.266 12.998 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.341 -7.002 13.658 1.00 0.00 H new ATOM 1630 N GLN A 107 -1.565 -5.739 9.837 1.00 0.00 N ATOM 1631 CA GLN A 107 -2.485 -5.435 8.749 1.00 0.00 C ATOM 1632 C GLN A 107 -1.774 -4.685 7.627 1.00 0.00 C ATOM 1633 O GLN A 107 -2.015 -4.938 6.447 1.00 0.00 O ATOM 1634 CB GLN A 107 -3.664 -4.608 9.264 1.00 0.00 C ATOM 1635 CG GLN A 107 -4.950 -4.829 8.485 1.00 0.00 C ATOM 1636 CD GLN A 107 -5.512 -6.225 8.672 1.00 0.00 C ATOM 1637 OE1 GLN A 107 -5.888 -6.612 9.779 1.00 0.00 O ATOM 1638 NE2 GLN A 107 -5.574 -6.989 7.588 1.00 0.00 N ATOM 0 H GLN A 107 -1.738 -5.215 10.695 1.00 0.00 H new ATOM 0 HA GLN A 107 -2.859 -6.378 8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -3.838 -4.852 10.312 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -3.401 -3.551 9.222 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -5.693 -4.097 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -4.763 -4.655 7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -5.251 -6.628 6.690 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.944 -7.937 7.653 1.00 0.00 H new ATOM 1647 N VAL A 108 -0.897 -3.760 8.005 1.00 0.00 N ATOM 1648 CA VAL A 108 -0.150 -2.973 7.032 1.00 0.00 C ATOM 1649 C VAL A 108 0.877 -3.831 6.303 1.00 0.00 C ATOM 1650 O VAL A 108 1.211 -3.570 5.147 1.00 0.00 O ATOM 1651 CB VAL A 108 0.570 -1.788 7.702 1.00 0.00 C ATOM 1652 CG1 VAL A 108 1.382 -1.008 6.679 1.00 0.00 C ATOM 1653 CG2 VAL A 108 -0.433 -0.881 8.400 1.00 0.00 C ATOM 0 H VAL A 108 -0.687 -3.538 8.978 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.874 -2.589 6.313 1.00 0.00 H new ATOM 0 HB VAL A 108 1.256 -2.180 8.453 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.883 -0.175 7.171 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.126 -1.664 6.228 1.00 0.00 H new ATOM 0 HG13 VAL A 108 0.719 -0.625 5.903 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.093 -0.049 8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.145 -0.496 7.670 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -0.967 -1.448 9.163 1.00 0.00 H new ATOM 1663 N GLN A 109 1.376 -4.856 6.987 1.00 0.00 N ATOM 1664 CA GLN A 109 2.366 -5.754 6.404 1.00 0.00 C ATOM 1665 C GLN A 109 1.739 -6.626 5.321 1.00 0.00 C ATOM 1666 O GLN A 109 2.255 -6.716 4.206 1.00 0.00 O ATOM 1667 CB GLN A 109 2.988 -6.635 7.488 1.00 0.00 C ATOM 1668 CG GLN A 109 4.206 -7.411 7.017 1.00 0.00 C ATOM 1669 CD GLN A 109 5.181 -7.708 8.140 1.00 0.00 C ATOM 1670 OE1 GLN A 109 5.210 -7.008 9.152 1.00 0.00 O ATOM 1671 NE2 GLN A 109 5.986 -8.749 7.966 1.00 0.00 N ATOM 0 H GLN A 109 1.111 -5.085 7.945 1.00 0.00 H new ATOM 0 HA GLN A 109 3.147 -5.146 5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 109 3.271 -6.009 8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 109 2.237 -7.338 7.848 1.00 0.00 H new ATOM 0 HG2 GLN A 109 3.882 -8.349 6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 109 4.716 -6.842 6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.927 -9.302 7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 109 6.663 -8.996 8.688 1.00 0.00 H new ATOM 1680 N VAL A 110 0.626 -7.268 5.656 1.00 0.00 N ATOM 1681 CA VAL A 110 -0.072 -8.134 4.711 1.00 0.00 C ATOM 1682 C VAL A 110 -0.533 -7.352 3.488 1.00 0.00 C ATOM 1683 O VAL A 110 -0.563 -7.880 2.376 1.00 0.00 O ATOM 1684 CB VAL A 110 -1.292 -8.809 5.366 1.00 0.00 C ATOM 1685 CG1 VAL A 110 -0.847 -9.806 6.425 1.00 0.00 C ATOM 1686 CG2 VAL A 110 -2.223 -7.765 5.962 1.00 0.00 C ATOM 0 H VAL A 110 0.187 -7.206 6.575 1.00 0.00 H new ATOM 0 HA VAL A 110 0.636 -8.902 4.401 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.840 -9.353 4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -1.723 -10.272 6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.224 -10.573 5.964 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.275 -9.288 7.195 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.079 -8.260 6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.689 -7.190 6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.570 -7.095 5.175 1.00 0.00 H new ATOM 1696 N SER A 111 -0.893 -6.089 3.699 1.00 0.00 N ATOM 1697 CA SER A 111 -1.356 -5.235 2.612 1.00 0.00 C ATOM 1698 C SER A 111 -0.305 -5.136 1.511 1.00 0.00 C ATOM 1699 O SER A 111 -0.630 -5.147 0.323 1.00 0.00 O ATOM 1700 CB SER A 111 -1.689 -3.838 3.141 1.00 0.00 C ATOM 1701 OG SER A 111 -2.571 -3.157 2.264 1.00 0.00 O ATOM 0 H SER A 111 -0.873 -5.636 4.612 1.00 0.00 H new ATOM 0 HA SER A 111 -2.256 -5.682 2.190 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.143 -3.918 4.129 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.771 -3.262 3.258 1.00 0.00 H new ATOM 0 HG SER A 111 -3.403 -3.667 2.176 1.00 0.00 H new ATOM 1707 N LEU A 112 0.957 -5.041 1.915 1.00 0.00 N ATOM 1708 CA LEU A 112 2.058 -4.942 0.963 1.00 0.00 C ATOM 1709 C LEU A 112 2.359 -6.299 0.334 1.00 0.00 C ATOM 1710 O LEU A 112 2.579 -6.399 -0.874 1.00 0.00 O ATOM 1711 CB LEU A 112 3.310 -4.400 1.657 1.00 0.00 C ATOM 1712 CG LEU A 112 3.161 -3.044 2.348 1.00 0.00 C ATOM 1713 CD1 LEU A 112 4.442 -2.673 3.078 1.00 0.00 C ATOM 1714 CD2 LEU A 112 2.788 -1.969 1.338 1.00 0.00 C ATOM 0 H LEU A 112 1.243 -5.030 2.894 1.00 0.00 H new ATOM 0 HA LEU A 112 1.761 -4.254 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.634 -5.130 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 112 4.106 -4.323 0.917 1.00 0.00 H new ATOM 0 HG LEU A 112 2.359 -3.118 3.082 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.317 -1.705 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.665 -3.430 3.830 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.264 -2.617 2.365 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.686 -1.011 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.568 -1.896 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.843 -2.229 0.862 1.00 0.00 H new ATOM 1726 N LEU A 113 2.366 -7.339 1.160 1.00 0.00 N ATOM 1727 CA LEU A 113 2.637 -8.691 0.683 1.00 0.00 C ATOM 1728 C LEU A 113 1.589 -9.131 -0.333 1.00 0.00 C ATOM 1729 O LEU A 113 1.846 -9.995 -1.170 1.00 0.00 O ATOM 1730 CB LEU A 113 2.666 -9.670 1.858 1.00 0.00 C ATOM 1731 CG LEU A 113 3.998 -9.787 2.602 1.00 0.00 C ATOM 1732 CD1 LEU A 113 3.819 -10.563 3.897 1.00 0.00 C ATOM 1733 CD2 LEU A 113 5.045 -10.450 1.720 1.00 0.00 C ATOM 0 H LEU A 113 2.187 -7.273 2.162 1.00 0.00 H new ATOM 0 HA LEU A 113 3.611 -8.689 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.899 -9.372 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.391 -10.658 1.489 1.00 0.00 H new ATOM 0 HG LEU A 113 4.344 -8.783 2.849 1.00 0.00 H new ATOM 0 HD11 LEU A 113 4.777 -10.636 4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 113 3.102 -10.046 4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.450 -11.564 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 113 5.986 -10.525 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.707 -11.448 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.194 -9.853 0.820 1.00 0.00 H new ATOM 1745 N ALA A 114 0.408 -8.527 -0.256 1.00 0.00 N ATOM 1746 CA ALA A 114 -0.679 -8.854 -1.173 1.00 0.00 C ATOM 1747 C ALA A 114 -0.647 -7.954 -2.403 1.00 0.00 C ATOM 1748 O ALA A 114 -0.825 -8.418 -3.530 1.00 0.00 O ATOM 1749 CB ALA A 114 -2.020 -8.737 -0.465 1.00 0.00 C ATOM 0 H ALA A 114 0.179 -7.809 0.431 1.00 0.00 H new ATOM 0 HA ALA A 114 -0.545 -9.884 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.822 -8.984 -1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.047 -9.426 0.379 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -2.153 -7.717 -0.105 1.00 0.00 H new ATOM 1755 N LEU A 115 -0.421 -6.664 -2.181 1.00 0.00 N ATOM 1756 CA LEU A 115 -0.367 -5.697 -3.272 1.00 0.00 C ATOM 1757 C LEU A 115 0.807 -5.989 -4.200 1.00 0.00 C ATOM 1758 O LEU A 115 0.736 -5.744 -5.404 1.00 0.00 O ATOM 1759 CB LEU A 115 -0.253 -4.277 -2.717 1.00 0.00 C ATOM 1760 CG LEU A 115 0.277 -3.218 -3.685 1.00 0.00 C ATOM 1761 CD1 LEU A 115 -0.857 -2.644 -4.520 1.00 0.00 C ATOM 1762 CD2 LEU A 115 0.995 -2.112 -2.925 1.00 0.00 C ATOM 0 H LEU A 115 -0.272 -6.263 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.290 -5.782 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -1.238 -3.964 -2.371 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.399 -4.301 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 115 0.992 -3.693 -4.357 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -0.461 -1.892 -5.203 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -1.328 -3.443 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.596 -2.185 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 115 1.365 -1.368 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 115 0.302 -1.640 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.833 -2.536 -2.371 1.00 0.00 H new ATOM 1774 N ALA A 116 1.887 -6.515 -3.632 1.00 0.00 N ATOM 1775 CA ALA A 116 3.076 -6.844 -4.408 1.00 0.00 C ATOM 1776 C ALA A 116 2.834 -8.061 -5.295 1.00 0.00 C ATOM 1777 O ALA A 116 3.033 -8.008 -6.507 1.00 0.00 O ATOM 1778 CB ALA A 116 4.260 -7.090 -3.484 1.00 0.00 C ATOM 0 H ALA A 116 1.963 -6.723 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 116 3.303 -5.995 -5.053 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.141 -7.335 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.456 -6.193 -2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 116 4.033 -7.919 -2.814 1.00 0.00 H new ATOM 1784 N GLY A 117 2.403 -9.159 -4.680 1.00 0.00 N ATOM 1785 CA GLY A 117 2.141 -10.374 -5.429 1.00 0.00 C ATOM 1786 C GLY A 117 1.347 -10.117 -6.694 1.00 0.00 C ATOM 1787 O GLY A 117 1.655 -10.664 -7.753 1.00 0.00 O ATOM 0 H GLY A 117 2.231 -9.228 -3.677 1.00 0.00 H new ATOM 0 HA2 GLY A 117 3.088 -10.848 -5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 117 1.595 -11.075 -4.798 1.00 0.00 H new ATOM 1791 N LYS A 118 0.318 -9.282 -6.585 1.00 0.00 N ATOM 1792 CA LYS A 118 -0.524 -8.951 -7.728 1.00 0.00 C ATOM 1793 C LYS A 118 0.170 -7.948 -8.644 1.00 0.00 C ATOM 1794 O LYS A 118 0.210 -8.128 -9.861 1.00 0.00 O ATOM 1795 CB LYS A 118 -1.864 -8.383 -7.253 1.00 0.00 C ATOM 1796 CG LYS A 118 -2.727 -7.841 -8.379 1.00 0.00 C ATOM 1797 CD LYS A 118 -4.207 -7.983 -8.064 1.00 0.00 C ATOM 1798 CE LYS A 118 -4.628 -7.058 -6.932 1.00 0.00 C ATOM 1799 NZ LYS A 118 -5.758 -7.623 -6.145 1.00 0.00 N ATOM 0 H LYS A 118 0.048 -8.822 -5.716 1.00 0.00 H new ATOM 0 HA LYS A 118 -0.704 -9.866 -8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -2.414 -9.164 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.677 -7.586 -6.534 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.489 -6.791 -8.548 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -2.498 -8.372 -9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -4.793 -7.759 -8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -4.424 -9.016 -7.791 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.778 -6.882 -6.272 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -4.919 -6.091 -7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -5.659 -7.346 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -6.658 -7.258 -6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -5.748 -8.660 -6.218 1.00 0.00 H new ATOM 1813 N ALA A 119 0.716 -6.891 -8.051 1.00 0.00 N ATOM 1814 CA ALA A 119 1.411 -5.862 -8.813 1.00 0.00 C ATOM 1815 C ALA A 119 2.478 -6.473 -9.714 1.00 0.00 C ATOM 1816 O ALA A 119 2.968 -5.827 -10.641 1.00 0.00 O ATOM 1817 CB ALA A 119 2.032 -4.839 -7.874 1.00 0.00 C ATOM 0 H ALA A 119 0.690 -6.725 -7.045 1.00 0.00 H new ATOM 0 HA ALA A 119 0.681 -5.360 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 119 2.548 -4.076 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 119 1.249 -4.371 -7.276 1.00 0.00 H new ATOM 0 HB3 ALA A 119 2.744 -5.335 -7.215 1.00 0.00 H new