USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 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 64 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.64! C(o=-2.6!,f=-7.3!) USER MOD Single : A 15 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= -0.225 (180deg=-1.46!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0263 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc=-0.00753 X(o=-0.0075,f=-0.027) USER MOD Single : A 37 LYS NZ :NH3+ -148:sc= -5.21! (180deg=-7!) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -1.22 (180deg=-1.88) USER MOD Single : A 43 THR OG1 : rot -98:sc= -5.83! USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -1.39! (180deg=-2.12!) USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -0.891 (180deg=-3.1!) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 146:sc= -0.288 (180deg=-1.46!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 123:sc= -1.78! USER MOD Single : A 62 MET CE :methyl 178:sc= -0.792 (180deg=-0.835) USER MOD Single : A 63 LYS NZ :NH3+ -148:sc= -0.191 (180deg=-1.36!) USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 143 N ASN A 12 -7.527 -1.603 6.524 1.00 0.00 N ATOM 144 CA ASN A 12 -8.322 -0.834 5.573 1.00 0.00 C ATOM 145 C ASN A 12 -7.462 0.256 4.936 1.00 0.00 C ATOM 146 O ASN A 12 -6.757 0.008 3.957 1.00 0.00 O ATOM 147 CB ASN A 12 -9.528 -0.206 6.282 1.00 0.00 C ATOM 148 CG ASN A 12 -9.112 0.323 7.650 1.00 0.00 C ATOM 149 OD1 ASN A 12 -7.930 0.571 7.888 1.00 0.00 O ATOM 150 ND2 ASN A 12 -10.019 0.511 8.569 1.00 0.00 N ATOM 0 HA ASN A 12 -8.683 -1.502 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.934 0.605 5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.320 -0.946 6.395 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.749 0.864 9.487 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -10.998 0.305 8.369 1.00 0.00 H new ATOM 157 N LEU A 13 -7.516 1.462 5.504 1.00 0.00 N ATOM 158 CA LEU A 13 -6.731 2.594 4.994 1.00 0.00 C ATOM 159 C LEU A 13 -5.739 3.065 6.053 1.00 0.00 C ATOM 160 O LEU A 13 -5.853 2.706 7.226 1.00 0.00 O ATOM 161 CB LEU A 13 -7.659 3.755 4.615 1.00 0.00 C ATOM 162 CG LEU A 13 -8.857 3.229 3.821 1.00 0.00 C ATOM 163 CD1 LEU A 13 -9.805 4.386 3.500 1.00 0.00 C ATOM 164 CD2 LEU A 13 -8.370 2.592 2.514 1.00 0.00 C ATOM 0 H LEU A 13 -8.093 1.683 6.316 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.186 2.265 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.004 4.264 5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.113 4.489 4.022 1.00 0.00 H new ATOM 0 HG LEU A 13 -9.382 2.481 4.415 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.658 4.011 2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -10.155 4.838 4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.278 5.135 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.225 2.218 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.842 3.338 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.696 1.766 2.741 1.00 0.00 H new ATOM 176 N ALA A 14 -4.766 3.869 5.635 1.00 0.00 N ATOM 177 CA ALA A 14 -3.760 4.378 6.562 1.00 0.00 C ATOM 178 C ALA A 14 -4.348 5.477 7.442 1.00 0.00 C ATOM 179 O ALA A 14 -5.416 5.307 8.031 1.00 0.00 O ATOM 180 CB ALA A 14 -2.560 4.924 5.782 1.00 0.00 C ATOM 0 H ALA A 14 -4.653 4.180 4.670 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.432 3.558 7.201 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.814 5.302 6.481 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.123 4.126 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.888 5.733 5.129 1.00 0.00 H new ATOM 186 N ASN A 15 -3.645 6.605 7.532 1.00 0.00 N ATOM 187 CA ASN A 15 -4.111 7.724 8.348 1.00 0.00 C ATOM 188 C ASN A 15 -3.531 9.042 7.840 1.00 0.00 C ATOM 189 O ASN A 15 -3.989 9.583 6.834 1.00 0.00 O ATOM 190 CB ASN A 15 -3.702 7.511 9.806 1.00 0.00 C ATOM 191 CG ASN A 15 -4.461 6.325 10.393 1.00 0.00 C ATOM 192 OD1 ASN A 15 -3.870 5.280 10.662 1.00 0.00 O ATOM 193 ND2 ASN A 15 -5.744 6.427 10.608 1.00 0.00 N ATOM 0 H ASN A 15 -2.758 6.767 7.054 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.198 7.771 8.278 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.628 7.333 9.869 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.911 8.410 10.386 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.260 5.639 11.000 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.231 7.295 10.384 1.00 0.00 H new ATOM 200 N ARG A 16 -2.527 9.555 8.544 1.00 0.00 N ATOM 201 CA ARG A 16 -1.900 10.813 8.154 1.00 0.00 C ATOM 202 C ARG A 16 -1.471 10.766 6.687 1.00 0.00 C ATOM 203 O ARG A 16 -2.228 11.171 5.805 1.00 0.00 O ATOM 204 CB ARG A 16 -0.700 11.101 9.061 1.00 0.00 C ATOM 205 CG ARG A 16 -1.110 10.872 10.521 1.00 0.00 C ATOM 206 CD ARG A 16 -0.028 11.400 11.469 1.00 0.00 C ATOM 207 NE ARG A 16 1.075 10.450 11.559 1.00 0.00 N ATOM 208 CZ ARG A 16 0.925 9.278 12.168 1.00 0.00 C ATOM 209 NH1 ARG A 16 -0.223 8.961 12.701 1.00 0.00 N ATOM 210 NH2 ARG A 16 1.927 8.446 12.236 1.00 0.00 N ATOM 0 H ARG A 16 -2.133 9.124 9.380 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.625 11.619 8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.135 10.451 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.361 12.128 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.056 11.375 10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.270 9.808 10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.340 12.362 11.112 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.453 11.569 12.458 1.00 0.00 H new ATOM 0 HE ARG A 16 1.977 10.689 11.147 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.006 9.613 12.650 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.337 8.061 13.168 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.825 8.695 11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.812 7.547 12.703 1.00 0.00 H new ATOM 224 N LYS A 17 -0.267 10.261 6.422 1.00 0.00 N ATOM 225 CA LYS A 17 0.217 10.167 5.049 1.00 0.00 C ATOM 226 C LYS A 17 1.514 9.369 4.977 1.00 0.00 C ATOM 227 O LYS A 17 1.823 8.583 5.873 1.00 0.00 O ATOM 228 CB LYS A 17 0.428 11.565 4.453 1.00 0.00 C ATOM 229 CG LYS A 17 1.614 12.265 5.130 1.00 0.00 C ATOM 230 CD LYS A 17 1.712 13.713 4.619 1.00 0.00 C ATOM 231 CE LYS A 17 3.133 14.245 4.832 1.00 0.00 C ATOM 232 NZ LYS A 17 4.101 13.384 4.095 1.00 0.00 N ATOM 0 H LYS A 17 0.382 9.916 7.129 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.541 9.645 4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.608 11.486 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.475 12.161 4.581 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.485 12.258 6.212 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.538 11.728 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.454 13.753 3.561 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.995 14.343 5.146 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.204 15.274 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.374 14.254 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.886 13.968 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.473 12.653 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.620 12.929 3.293 1.00 0.00 H new ATOM 246 N ILE A 18 2.268 9.573 3.896 1.00 0.00 N ATOM 247 CA ILE A 18 3.535 8.867 3.693 1.00 0.00 C ATOM 248 C ILE A 18 4.568 9.832 3.079 1.00 0.00 C ATOM 249 O ILE A 18 4.238 10.559 2.142 1.00 0.00 O ATOM 250 CB ILE A 18 3.280 7.665 2.746 1.00 0.00 C ATOM 251 CG1 ILE A 18 2.728 6.463 3.550 1.00 0.00 C ATOM 252 CG2 ILE A 18 4.553 7.253 1.982 1.00 0.00 C ATOM 253 CD1 ILE A 18 3.863 5.654 4.201 1.00 0.00 C ATOM 0 H ILE A 18 2.024 10.221 3.147 1.00 0.00 H new ATOM 0 HA ILE A 18 3.927 8.503 4.643 1.00 0.00 H new ATOM 0 HB ILE A 18 2.542 7.978 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.046 6.822 4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.151 5.816 2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.329 6.408 1.331 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.904 8.092 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.328 6.967 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.441 4.818 4.758 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.530 5.275 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.424 6.296 4.880 1.00 0.00 H new ATOM 265 N PRO A 19 5.800 9.867 3.560 1.00 0.00 N ATOM 266 CA PRO A 19 6.839 10.785 2.990 1.00 0.00 C ATOM 267 C PRO A 19 7.113 10.477 1.514 1.00 0.00 C ATOM 268 O PRO A 19 7.172 9.316 1.112 1.00 0.00 O ATOM 269 CB PRO A 19 8.078 10.534 3.872 1.00 0.00 C ATOM 270 CG PRO A 19 7.856 9.186 4.472 1.00 0.00 C ATOM 271 CD PRO A 19 6.354 9.067 4.675 1.00 0.00 C ATOM 0 HA PRO A 19 6.529 11.830 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.994 10.558 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.175 11.298 4.643 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.226 8.399 3.814 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.388 9.086 5.418 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.022 8.030 4.631 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.046 9.459 5.644 1.00 0.00 H new ATOM 279 N LEU A 20 7.256 11.531 0.713 1.00 0.00 N ATOM 280 CA LEU A 20 7.497 11.372 -0.721 1.00 0.00 C ATOM 281 C LEU A 20 8.910 10.849 -1.011 1.00 0.00 C ATOM 282 O LEU A 20 9.148 10.250 -2.059 1.00 0.00 O ATOM 283 CB LEU A 20 7.271 12.721 -1.437 1.00 0.00 C ATOM 284 CG LEU A 20 5.789 12.876 -1.804 1.00 0.00 C ATOM 285 CD1 LEU A 20 4.936 12.824 -0.537 1.00 0.00 C ATOM 286 CD2 LEU A 20 5.568 14.215 -2.512 1.00 0.00 C ATOM 0 H LEU A 20 7.210 12.500 1.030 1.00 0.00 H new ATOM 0 HA LEU A 20 6.793 10.631 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.582 13.542 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.885 12.773 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 20 5.500 12.063 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.884 12.934 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.086 11.867 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.229 13.633 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.514 14.320 -2.771 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.862 15.029 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.170 14.250 -3.420 1.00 0.00 H new ATOM 298 N GLN A 21 9.846 11.090 -0.099 1.00 0.00 N ATOM 299 CA GLN A 21 11.226 10.645 -0.303 1.00 0.00 C ATOM 300 C GLN A 21 11.329 9.117 -0.344 1.00 0.00 C ATOM 301 O GLN A 21 12.053 8.561 -1.170 1.00 0.00 O ATOM 302 CB GLN A 21 12.129 11.196 0.810 1.00 0.00 C ATOM 303 CG GLN A 21 11.419 11.079 2.158 1.00 0.00 C ATOM 304 CD GLN A 21 12.403 11.361 3.289 1.00 0.00 C ATOM 305 OE1 GLN A 21 12.821 12.502 3.478 1.00 0.00 O ATOM 306 NE2 GLN A 21 12.797 10.382 4.057 1.00 0.00 N ATOM 0 H GLN A 21 9.681 11.584 0.778 1.00 0.00 H new ATOM 0 HA GLN A 21 11.557 11.030 -1.267 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.069 10.645 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.376 12.238 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.588 11.783 2.203 1.00 0.00 H new ATOM 0 HG3 GLN A 21 10.998 10.080 2.271 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.448 9.437 3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.453 10.562 4.817 1.00 0.00 H new ATOM 315 N ARG A 22 10.620 8.445 0.556 1.00 0.00 N ATOM 316 CA ARG A 22 10.660 6.983 0.619 1.00 0.00 C ATOM 317 C ARG A 22 9.727 6.357 -0.420 1.00 0.00 C ATOM 318 O ARG A 22 10.111 5.432 -1.135 1.00 0.00 O ATOM 319 CB ARG A 22 10.261 6.529 2.028 1.00 0.00 C ATOM 320 CG ARG A 22 11.392 6.867 3.033 1.00 0.00 C ATOM 321 CD ARG A 22 10.802 7.309 4.381 1.00 0.00 C ATOM 322 NE ARG A 22 11.762 7.070 5.453 1.00 0.00 N ATOM 323 CZ ARG A 22 11.525 7.482 6.694 1.00 0.00 C ATOM 324 NH1 ARG A 22 10.419 8.117 6.971 1.00 0.00 N ATOM 325 NH2 ARG A 22 12.398 7.254 7.636 1.00 0.00 N ATOM 0 H ARG A 22 10.013 8.883 1.249 1.00 0.00 H new ATOM 0 HA ARG A 22 11.674 6.651 0.396 1.00 0.00 H new ATOM 0 HB2 ARG A 22 9.336 7.021 2.329 1.00 0.00 H new ATOM 0 HB3 ARG A 22 10.068 5.456 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 22 12.030 5.995 3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.021 7.659 2.628 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.543 8.367 4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.880 6.762 4.580 1.00 0.00 H new ATOM 0 HE ARG A 22 12.631 6.578 5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 22 9.736 8.297 6.235 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.237 8.433 7.924 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.263 6.759 7.420 1.00 0.00 H new ATOM 0 HH22 ARG A 22 12.215 7.571 8.588 1.00 0.00 H new ATOM 339 N LEU A 23 8.505 6.872 -0.495 1.00 0.00 N ATOM 340 CA LEU A 23 7.511 6.371 -1.448 1.00 0.00 C ATOM 341 C LEU A 23 8.172 6.047 -2.793 1.00 0.00 C ATOM 342 O LEU A 23 8.931 6.851 -3.335 1.00 0.00 O ATOM 343 CB LEU A 23 6.402 7.443 -1.579 1.00 0.00 C ATOM 344 CG LEU A 23 5.650 7.407 -2.932 1.00 0.00 C ATOM 345 CD1 LEU A 23 6.522 7.978 -4.081 1.00 0.00 C ATOM 346 CD2 LEU A 23 5.160 5.977 -3.260 1.00 0.00 C ATOM 0 H LEU A 23 8.175 7.638 0.092 1.00 0.00 H new ATOM 0 HA LEU A 23 7.067 5.440 -1.096 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.683 7.308 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.847 8.429 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 23 4.773 8.047 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.963 7.938 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.784 9.013 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.432 7.386 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.636 5.982 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.015 5.304 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.483 5.636 -2.477 1.00 0.00 H new ATOM 358 N GLU A 24 7.888 4.852 -3.320 1.00 0.00 N ATOM 359 CA GLU A 24 8.459 4.412 -4.600 1.00 0.00 C ATOM 360 C GLU A 24 7.412 4.490 -5.714 1.00 0.00 C ATOM 361 O GLU A 24 7.598 5.200 -6.703 1.00 0.00 O ATOM 362 CB GLU A 24 8.963 2.972 -4.469 1.00 0.00 C ATOM 363 CG GLU A 24 9.402 2.449 -5.840 1.00 0.00 C ATOM 364 CD GLU A 24 10.231 1.180 -5.673 1.00 0.00 C ATOM 365 OE1 GLU A 24 9.827 0.329 -4.898 1.00 0.00 O ATOM 366 OE2 GLU A 24 11.259 1.079 -6.323 1.00 0.00 O ATOM 0 H GLU A 24 7.267 4.172 -2.882 1.00 0.00 H new ATOM 0 HA GLU A 24 9.289 5.071 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.798 2.932 -3.770 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.176 2.337 -4.062 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.527 2.243 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.986 3.209 -6.358 1.00 0.00 H new ATOM 373 N SER A 25 6.312 3.757 -5.545 1.00 0.00 N ATOM 374 CA SER A 25 5.240 3.750 -6.540 1.00 0.00 C ATOM 375 C SER A 25 3.915 3.339 -5.896 1.00 0.00 C ATOM 376 O SER A 25 3.879 2.963 -4.724 1.00 0.00 O ATOM 377 CB SER A 25 5.583 2.777 -7.668 1.00 0.00 C ATOM 378 OG SER A 25 4.738 3.034 -8.783 1.00 0.00 O ATOM 0 H SER A 25 6.140 3.164 -4.733 1.00 0.00 H new ATOM 0 HA SER A 25 5.138 4.756 -6.946 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.628 2.889 -7.956 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.455 1.749 -7.329 1.00 0.00 H new ATOM 0 HG SER A 25 4.956 2.413 -9.509 1.00 0.00 H new ATOM 384 N TYR A 26 2.824 3.414 -6.669 1.00 0.00 N ATOM 385 CA TYR A 26 1.494 3.046 -6.161 1.00 0.00 C ATOM 386 C TYR A 26 0.934 1.842 -6.924 1.00 0.00 C ATOM 387 O TYR A 26 1.384 1.529 -8.026 1.00 0.00 O ATOM 388 CB TYR A 26 0.531 4.236 -6.287 1.00 0.00 C ATOM 389 CG TYR A 26 0.164 4.461 -7.735 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.020 5.191 -8.568 1.00 0.00 C ATOM 391 CD2 TYR A 26 -1.033 3.940 -8.242 1.00 0.00 C ATOM 392 CE1 TYR A 26 0.680 5.402 -9.908 1.00 0.00 C ATOM 393 CE2 TYR A 26 -1.372 4.150 -9.584 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.516 4.881 -10.417 1.00 0.00 C ATOM 395 OH TYR A 26 -0.852 5.088 -11.740 1.00 0.00 O ATOM 0 H TYR A 26 2.834 3.723 -7.641 1.00 0.00 H new ATOM 0 HA TYR A 26 1.594 2.775 -5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.369 4.048 -5.701 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.995 5.134 -5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.943 5.591 -8.176 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.693 3.377 -7.599 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.340 5.967 -10.550 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.294 3.748 -9.977 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.712 4.659 -11.930 1.00 0.00 H new ATOM 405 N ARG A 27 -0.051 1.174 -6.324 1.00 0.00 N ATOM 406 CA ARG A 27 -0.672 0.006 -6.948 1.00 0.00 C ATOM 407 C ARG A 27 -2.084 -0.197 -6.403 1.00 0.00 C ATOM 408 O ARG A 27 -2.338 0.019 -5.220 1.00 0.00 O ATOM 409 CB ARG A 27 0.180 -1.245 -6.677 1.00 0.00 C ATOM 410 CG ARG A 27 -0.380 -2.470 -7.446 1.00 0.00 C ATOM 411 CD ARG A 27 -1.218 -3.358 -6.514 1.00 0.00 C ATOM 412 NE ARG A 27 -1.925 -4.373 -7.286 1.00 0.00 N ATOM 413 CZ ARG A 27 -2.438 -5.450 -6.700 1.00 0.00 C ATOM 414 NH1 ARG A 27 -2.314 -5.612 -5.410 1.00 0.00 N ATOM 415 NH2 ARG A 27 -3.065 -6.345 -7.413 1.00 0.00 N ATOM 0 H ARG A 27 -0.434 1.420 -5.411 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.733 0.172 -8.024 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.211 -1.061 -6.979 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.194 -1.456 -5.608 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.992 -2.132 -8.282 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.442 -3.049 -7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.572 -3.836 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.933 -2.747 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.028 -4.254 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.824 -4.912 -4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.707 -6.438 -4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.162 -6.218 -8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.459 -7.171 -6.963 1.00 0.00 H new ATOM 429 N ARG A 28 -3.007 -0.600 -7.277 1.00 0.00 N ATOM 430 CA ARG A 28 -4.401 -0.814 -6.876 1.00 0.00 C ATOM 431 C ARG A 28 -4.642 -2.268 -6.464 1.00 0.00 C ATOM 432 O ARG A 28 -4.019 -3.187 -6.995 1.00 0.00 O ATOM 433 CB ARG A 28 -5.332 -0.425 -8.047 1.00 0.00 C ATOM 434 CG ARG A 28 -6.582 0.296 -7.523 1.00 0.00 C ATOM 435 CD ARG A 28 -7.641 0.357 -8.626 1.00 0.00 C ATOM 436 NE ARG A 28 -7.042 0.817 -9.874 1.00 0.00 N ATOM 437 CZ ARG A 28 -6.668 2.083 -10.031 1.00 0.00 C ATOM 438 NH1 ARG A 28 -6.833 2.937 -9.058 1.00 0.00 N ATOM 439 NH2 ARG A 28 -6.135 2.472 -11.157 1.00 0.00 N ATOM 0 H ARG A 28 -2.818 -0.784 -8.262 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.618 -0.187 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.798 0.220 -8.745 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.625 -1.318 -8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.978 -0.228 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.323 1.304 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.085 -0.628 -8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.446 1.030 -8.331 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.908 0.156 -10.639 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.249 2.633 -8.178 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.546 3.908 -9.178 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.005 1.805 -11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.848 3.444 -11.277 1.00 0.00 H new ATOM 453 N ILE A 29 -5.561 -2.462 -5.513 1.00 0.00 N ATOM 454 CA ILE A 29 -5.905 -3.805 -5.023 1.00 0.00 C ATOM 455 C ILE A 29 -7.309 -4.184 -5.503 1.00 0.00 C ATOM 456 O ILE A 29 -8.300 -3.909 -4.826 1.00 0.00 O ATOM 457 CB ILE A 29 -5.841 -3.856 -3.464 1.00 0.00 C ATOM 458 CG1 ILE A 29 -5.634 -2.436 -2.913 1.00 0.00 C ATOM 459 CG2 ILE A 29 -4.688 -4.762 -3.007 1.00 0.00 C ATOM 460 CD1 ILE A 29 -5.709 -2.423 -1.379 1.00 0.00 C ATOM 0 H ILE A 29 -6.081 -1.707 -5.066 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.182 -4.518 -5.419 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.778 -4.263 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.665 -2.055 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.392 -1.769 -3.323 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.655 -4.788 -1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.844 -5.771 -3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.745 -4.371 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.559 -1.406 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.687 -2.782 -1.060 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.934 -3.072 -0.971 1.00 0.00 H new ATOM 472 N THR A 30 -7.384 -4.816 -6.670 1.00 0.00 N ATOM 473 CA THR A 30 -8.671 -5.231 -7.232 1.00 0.00 C ATOM 474 C THR A 30 -8.927 -6.706 -6.944 1.00 0.00 C ATOM 475 O THR A 30 -8.579 -7.208 -5.875 1.00 0.00 O ATOM 476 CB THR A 30 -8.676 -4.990 -8.743 1.00 0.00 C ATOM 477 OG1 THR A 30 -7.743 -5.865 -9.364 1.00 0.00 O ATOM 478 CG2 THR A 30 -8.289 -3.537 -9.032 1.00 0.00 C ATOM 0 H THR A 30 -6.575 -5.052 -7.245 1.00 0.00 H new ATOM 0 HA THR A 30 -9.462 -4.642 -6.768 1.00 0.00 H new ATOM 0 HB THR A 30 -9.673 -5.182 -9.139 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.746 -5.713 -10.332 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.293 -3.367 -10.109 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.006 -2.868 -8.556 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.292 -3.341 -8.637 1.00 0.00 H new ATOM 526 N CYS A 34 -8.032 -7.229 -0.018 1.00 0.00 N ATOM 527 CA CYS A 34 -8.066 -5.920 0.633 1.00 0.00 C ATOM 528 C CYS A 34 -9.377 -5.191 0.306 1.00 0.00 C ATOM 529 O CYS A 34 -9.949 -5.395 -0.765 1.00 0.00 O ATOM 530 CB CYS A 34 -6.869 -5.080 0.176 1.00 0.00 C ATOM 531 SG CYS A 34 -5.337 -5.835 0.779 1.00 0.00 S ATOM 0 HA CYS A 34 -8.010 -6.064 1.712 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.851 -5.014 -0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.959 -4.062 0.555 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.320 -5.124 0.390 1.00 0.00 H new ATOM 536 N PRO A 35 -9.874 -4.358 1.195 1.00 0.00 N ATOM 537 CA PRO A 35 -11.152 -3.613 0.966 1.00 0.00 C ATOM 538 C PRO A 35 -10.997 -2.440 0.003 1.00 0.00 C ATOM 539 O PRO A 35 -10.028 -1.683 0.068 1.00 0.00 O ATOM 540 CB PRO A 35 -11.527 -3.133 2.372 1.00 0.00 C ATOM 541 CG PRO A 35 -10.216 -2.927 3.052 1.00 0.00 C ATOM 542 CD PRO A 35 -9.294 -4.028 2.517 1.00 0.00 C ATOM 0 HA PRO A 35 -11.912 -4.238 0.496 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.106 -2.210 2.336 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -12.135 -3.871 2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -9.813 -1.938 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.321 -2.996 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.265 -3.680 2.427 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -9.281 -4.896 3.177 1.00 0.00 H new ATOM 550 N GLN A 36 -11.985 -2.292 -0.874 1.00 0.00 N ATOM 551 CA GLN A 36 -11.998 -1.204 -1.843 1.00 0.00 C ATOM 552 C GLN A 36 -10.801 -1.262 -2.786 1.00 0.00 C ATOM 553 O GLN A 36 -9.713 -1.698 -2.408 1.00 0.00 O ATOM 554 CB GLN A 36 -11.972 0.141 -1.116 1.00 0.00 C ATOM 555 CG GLN A 36 -12.976 0.144 0.035 1.00 0.00 C ATOM 556 CD GLN A 36 -14.389 -0.051 -0.501 1.00 0.00 C ATOM 557 OE1 GLN A 36 -14.838 0.705 -1.364 1.00 0.00 O ATOM 558 NE2 GLN A 36 -15.122 -1.028 -0.040 1.00 0.00 N ATOM 0 H GLN A 36 -12.790 -2.916 -0.933 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.910 -1.311 -2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.970 0.335 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.208 0.944 -1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.734 -0.650 0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.913 1.086 0.581 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.748 -1.653 0.674 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -16.068 -1.167 -0.394 1.00 0.00 H new ATOM 567 N LYS A 37 -11.007 -0.771 -4.006 1.00 0.00 N ATOM 568 CA LYS A 37 -9.937 -0.716 -4.993 1.00 0.00 C ATOM 569 C LYS A 37 -9.075 0.501 -4.688 1.00 0.00 C ATOM 570 O LYS A 37 -9.074 1.482 -5.431 1.00 0.00 O ATOM 571 CB LYS A 37 -10.526 -0.599 -6.402 1.00 0.00 C ATOM 572 CG LYS A 37 -11.375 -1.838 -6.710 1.00 0.00 C ATOM 573 CD LYS A 37 -12.300 -1.549 -7.897 1.00 0.00 C ATOM 574 CE LYS A 37 -11.478 -1.042 -9.084 1.00 0.00 C ATOM 575 NZ LYS A 37 -11.119 0.389 -8.867 1.00 0.00 N ATOM 0 H LYS A 37 -11.903 -0.407 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.337 -1.625 -4.947 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.137 0.301 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.725 -0.503 -7.135 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.729 -2.686 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.965 -2.113 -5.836 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.841 -2.453 -8.177 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.046 -0.806 -7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.575 -1.641 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.048 -1.149 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.070 0.877 -9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.842 0.842 -8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.195 0.447 -8.394 1.00 0.00 H new ATOM 589 N ALA A 38 -8.377 0.437 -3.560 1.00 0.00 N ATOM 590 CA ALA A 38 -7.540 1.544 -3.106 1.00 0.00 C ATOM 591 C ALA A 38 -6.101 1.395 -3.602 1.00 0.00 C ATOM 592 O ALA A 38 -5.630 0.291 -3.857 1.00 0.00 O ATOM 593 CB ALA A 38 -7.568 1.577 -1.571 1.00 0.00 C ATOM 0 H ALA A 38 -8.374 -0.373 -2.940 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.931 2.476 -3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.947 2.399 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.593 1.721 -1.229 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.184 0.635 -1.180 1.00 0.00 H new ATOM 599 N VAL A 39 -5.403 2.523 -3.736 1.00 0.00 N ATOM 600 CA VAL A 39 -4.019 2.497 -4.198 1.00 0.00 C ATOM 601 C VAL A 39 -3.090 2.136 -3.044 1.00 0.00 C ATOM 602 O VAL A 39 -3.403 2.395 -1.883 1.00 0.00 O ATOM 603 CB VAL A 39 -3.633 3.855 -4.791 1.00 0.00 C ATOM 604 CG1 VAL A 39 -4.690 4.280 -5.817 1.00 0.00 C ATOM 605 CG2 VAL A 39 -3.549 4.903 -3.680 1.00 0.00 C ATOM 0 H VAL A 39 -5.769 3.453 -3.534 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.920 1.740 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.661 3.772 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.418 5.247 -6.241 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.744 3.537 -6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.661 4.359 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.274 5.867 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.517 4.988 -3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.796 4.602 -2.952 1.00 0.00 H new ATOM 615 N ILE A 40 -1.956 1.510 -3.368 1.00 0.00 N ATOM 616 CA ILE A 40 -0.994 1.085 -2.346 1.00 0.00 C ATOM 617 C ILE A 40 0.378 1.710 -2.576 1.00 0.00 C ATOM 618 O ILE A 40 1.135 1.255 -3.430 1.00 0.00 O ATOM 619 CB ILE A 40 -0.862 -0.445 -2.385 1.00 0.00 C ATOM 620 CG1 ILE A 40 -2.176 -1.074 -1.916 1.00 0.00 C ATOM 621 CG2 ILE A 40 0.284 -0.906 -1.473 1.00 0.00 C ATOM 622 CD1 ILE A 40 -2.143 -2.580 -2.175 1.00 0.00 C ATOM 0 H ILE A 40 -1.682 1.287 -4.325 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.361 1.415 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.644 -0.759 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.325 -0.880 -0.854 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.016 -0.622 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.365 -1.992 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.220 -0.460 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.082 -0.593 -0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.079 -3.027 -1.841 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.014 -2.763 -3.242 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.312 -3.025 -1.627 1.00 0.00 H new ATOM 634 N PHE A 41 0.711 2.728 -1.785 1.00 0.00 N ATOM 635 CA PHE A 41 2.016 3.367 -1.907 1.00 0.00 C ATOM 636 C PHE A 41 3.065 2.512 -1.207 1.00 0.00 C ATOM 637 O PHE A 41 2.979 2.276 -0.002 1.00 0.00 O ATOM 638 CB PHE A 41 1.997 4.761 -1.279 1.00 0.00 C ATOM 639 CG PHE A 41 0.898 5.585 -1.906 1.00 0.00 C ATOM 640 CD1 PHE A 41 1.009 6.009 -3.237 1.00 0.00 C ATOM 641 CD2 PHE A 41 -0.225 5.937 -1.153 1.00 0.00 C ATOM 642 CE1 PHE A 41 -0.006 6.783 -3.813 1.00 0.00 C ATOM 643 CE2 PHE A 41 -1.235 6.710 -1.725 1.00 0.00 C ATOM 644 CZ PHE A 41 -1.128 7.134 -3.055 1.00 0.00 C ATOM 0 H PHE A 41 0.106 3.122 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 41 2.259 3.464 -2.965 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.839 4.684 -0.203 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.960 5.250 -1.425 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.878 5.739 -3.819 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.311 5.610 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.077 7.108 -4.840 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.102 6.982 -1.141 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.912 7.732 -3.496 1.00 0.00 H new ATOM 654 N LYS A 42 4.051 2.047 -1.967 1.00 0.00 N ATOM 655 CA LYS A 42 5.114 1.211 -1.409 1.00 0.00 C ATOM 656 C LYS A 42 6.375 2.036 -1.185 1.00 0.00 C ATOM 657 O LYS A 42 6.667 2.962 -1.941 1.00 0.00 O ATOM 658 CB LYS A 42 5.413 0.048 -2.359 1.00 0.00 C ATOM 659 CG LYS A 42 5.439 0.559 -3.800 1.00 0.00 C ATOM 660 CD LYS A 42 6.086 -0.495 -4.703 1.00 0.00 C ATOM 661 CE LYS A 42 5.341 -1.822 -4.555 1.00 0.00 C ATOM 662 NZ LYS A 42 3.872 -1.568 -4.532 1.00 0.00 N ATOM 0 H LYS A 42 4.138 2.232 -2.966 1.00 0.00 H new ATOM 0 HA LYS A 42 4.781 0.814 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.371 -0.405 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.655 -0.728 -2.251 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.426 0.772 -4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.997 1.494 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.059 -0.165 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 42 7.135 -0.623 -4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.593 -2.487 -5.381 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.648 -2.323 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.370 -2.401 -4.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.567 -1.384 -3.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.653 -0.742 -5.124 1.00 0.00 H new ATOM 676 N THR A 43 7.117 1.693 -0.136 1.00 0.00 N ATOM 677 CA THR A 43 8.351 2.405 0.195 1.00 0.00 C ATOM 678 C THR A 43 9.372 1.430 0.776 1.00 0.00 C ATOM 679 O THR A 43 9.094 0.241 0.928 1.00 0.00 O ATOM 680 CB THR A 43 8.070 3.544 1.209 1.00 0.00 C ATOM 681 OG1 THR A 43 8.951 3.425 2.318 1.00 0.00 O ATOM 682 CG2 THR A 43 6.621 3.470 1.711 1.00 0.00 C ATOM 0 H THR A 43 6.888 0.929 0.499 1.00 0.00 H new ATOM 0 HA THR A 43 8.753 2.846 -0.717 1.00 0.00 H new ATOM 0 HB THR A 43 8.227 4.500 0.709 1.00 0.00 H new ATOM 0 HG1 THR A 43 8.490 2.972 3.055 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.441 4.276 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.938 3.570 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.454 2.511 2.201 1.00 0.00 H new ATOM 690 N LYS A 44 10.553 1.945 1.102 1.00 0.00 N ATOM 691 CA LYS A 44 11.609 1.115 1.667 1.00 0.00 C ATOM 692 C LYS A 44 11.345 0.865 3.152 1.00 0.00 C ATOM 693 O LYS A 44 12.191 0.319 3.860 1.00 0.00 O ATOM 694 CB LYS A 44 12.969 1.807 1.480 1.00 0.00 C ATOM 695 CG LYS A 44 14.099 0.769 1.506 1.00 0.00 C ATOM 696 CD LYS A 44 15.442 1.480 1.691 1.00 0.00 C ATOM 697 CE LYS A 44 15.614 2.538 0.600 1.00 0.00 C ATOM 698 NZ LYS A 44 15.148 1.988 -0.704 1.00 0.00 N ATOM 0 H LYS A 44 10.801 2.927 0.985 1.00 0.00 H new ATOM 0 HA LYS A 44 11.623 0.156 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.983 2.347 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.123 2.543 2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.937 0.059 2.317 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.103 0.197 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.486 1.947 2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.257 0.758 1.644 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.045 3.433 0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.660 2.835 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.613 2.498 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.388 0.978 -0.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.117 2.104 -0.781 1.00 0.00 H new ATOM 712 N LEU A 45 10.165 1.267 3.617 1.00 0.00 N ATOM 713 CA LEU A 45 9.810 1.079 5.019 1.00 0.00 C ATOM 714 C LEU A 45 10.026 -0.385 5.417 1.00 0.00 C ATOM 715 O LEU A 45 11.101 -0.753 5.888 1.00 0.00 O ATOM 716 CB LEU A 45 8.331 1.503 5.252 1.00 0.00 C ATOM 717 CG LEU A 45 8.227 2.878 5.955 1.00 0.00 C ATOM 718 CD1 LEU A 45 8.961 2.863 7.315 1.00 0.00 C ATOM 719 CD2 LEU A 45 8.801 3.979 5.046 1.00 0.00 C ATOM 0 H LEU A 45 9.447 1.719 3.051 1.00 0.00 H new ATOM 0 HA LEU A 45 10.449 1.705 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.811 1.545 4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.828 0.748 5.856 1.00 0.00 H new ATOM 0 HG LEU A 45 7.174 3.088 6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.872 3.841 7.787 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.515 2.106 7.961 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.014 2.631 7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.724 4.943 5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.848 3.765 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.239 4.010 4.113 1.00 0.00 H new ATOM 731 N ALA A 46 8.999 -1.209 5.225 1.00 0.00 N ATOM 732 CA ALA A 46 9.091 -2.624 5.572 1.00 0.00 C ATOM 733 C ALA A 46 7.774 -3.337 5.273 1.00 0.00 C ATOM 734 O ALA A 46 7.670 -4.554 5.427 1.00 0.00 O ATOM 735 CB ALA A 46 9.427 -2.774 7.060 1.00 0.00 C ATOM 0 H ALA A 46 8.101 -0.924 4.834 1.00 0.00 H new ATOM 0 HA ALA A 46 9.880 -3.076 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.494 -3.832 7.313 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.381 -2.290 7.268 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.645 -2.307 7.658 1.00 0.00 H new ATOM 741 N LYS A 47 6.766 -2.573 4.859 1.00 0.00 N ATOM 742 CA LYS A 47 5.457 -3.148 4.558 1.00 0.00 C ATOM 743 C LYS A 47 4.681 -2.253 3.587 1.00 0.00 C ATOM 744 O LYS A 47 5.107 -1.142 3.271 1.00 0.00 O ATOM 745 CB LYS A 47 4.652 -3.351 5.866 1.00 0.00 C ATOM 746 CG LYS A 47 5.118 -2.364 6.951 1.00 0.00 C ATOM 747 CD LYS A 47 4.890 -0.919 6.493 1.00 0.00 C ATOM 748 CE LYS A 47 5.410 0.040 7.565 1.00 0.00 C ATOM 749 NZ LYS A 47 6.811 -0.325 7.921 1.00 0.00 N ATOM 0 H LYS A 47 6.829 -1.564 4.725 1.00 0.00 H new ATOM 0 HA LYS A 47 5.606 -4.117 4.082 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.589 -3.209 5.670 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.777 -4.374 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.574 -2.549 7.877 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.175 -2.522 7.165 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.404 -0.740 5.548 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.829 -0.745 6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.372 1.066 7.199 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.775 -0.007 8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.338 0.533 8.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.804 -0.984 8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.270 -0.779 7.105 1.00 0.00 H new ATOM 763 N ASP A 48 3.541 -2.756 3.117 1.00 0.00 N ATOM 764 CA ASP A 48 2.702 -2.010 2.180 1.00 0.00 C ATOM 765 C ASP A 48 1.738 -1.093 2.931 1.00 0.00 C ATOM 766 O ASP A 48 1.333 -1.390 4.055 1.00 0.00 O ATOM 767 CB ASP A 48 1.905 -2.985 1.311 1.00 0.00 C ATOM 768 CG ASP A 48 1.261 -4.056 2.185 1.00 0.00 C ATOM 769 OD1 ASP A 48 1.994 -4.780 2.838 1.00 0.00 O ATOM 770 OD2 ASP A 48 0.043 -4.135 2.189 1.00 0.00 O ATOM 0 H ASP A 48 3.177 -3.675 3.369 1.00 0.00 H new ATOM 0 HA ASP A 48 3.348 -1.399 1.550 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.137 -2.446 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.562 -3.450 0.576 1.00 0.00 H new ATOM 775 N ILE A 49 1.377 0.024 2.299 1.00 0.00 N ATOM 776 CA ILE A 49 0.459 0.998 2.901 1.00 0.00 C ATOM 777 C ILE A 49 -0.819 1.102 2.069 1.00 0.00 C ATOM 778 O ILE A 49 -0.759 1.204 0.850 1.00 0.00 O ATOM 779 CB ILE A 49 1.138 2.373 2.962 1.00 0.00 C ATOM 780 CG1 ILE A 49 2.599 2.226 3.425 1.00 0.00 C ATOM 781 CG2 ILE A 49 0.374 3.289 3.922 1.00 0.00 C ATOM 782 CD1 ILE A 49 2.671 1.626 4.838 1.00 0.00 C ATOM 0 H ILE A 49 1.706 0.279 1.368 1.00 0.00 H new ATOM 0 HA ILE A 49 0.204 0.667 3.908 1.00 0.00 H new ATOM 0 HB ILE A 49 1.130 2.814 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.143 1.589 2.727 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.087 3.200 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.861 4.263 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.651 3.410 3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.367 2.847 4.918 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.714 1.533 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.147 2.278 5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.203 0.641 4.839 1.00 0.00 H new ATOM 794 N CYS A 50 -1.973 1.083 2.734 1.00 0.00 N ATOM 795 CA CYS A 50 -3.263 1.176 2.038 1.00 0.00 C ATOM 796 C CYS A 50 -3.818 2.597 2.130 1.00 0.00 C ATOM 797 O CYS A 50 -3.652 3.269 3.148 1.00 0.00 O ATOM 798 CB CYS A 50 -4.256 0.200 2.669 1.00 0.00 C ATOM 799 SG CYS A 50 -3.539 -1.464 2.678 1.00 0.00 S ATOM 0 H CYS A 50 -2.045 1.005 3.748 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.114 0.923 0.988 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -4.493 0.512 3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.191 0.202 2.109 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.380 -2.296 3.216 1.00 0.00 H new ATOM 804 N ALA A 51 -4.470 3.053 1.061 1.00 0.00 N ATOM 805 CA ALA A 51 -5.032 4.403 1.045 1.00 0.00 C ATOM 806 C ALA A 51 -6.048 4.560 -0.095 1.00 0.00 C ATOM 807 O ALA A 51 -5.763 4.229 -1.243 1.00 0.00 O ATOM 808 CB ALA A 51 -3.895 5.425 0.898 1.00 0.00 C ATOM 0 H ALA A 51 -4.621 2.517 0.207 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.557 4.579 1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.311 6.433 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.207 5.327 1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.360 5.242 -0.034 1.00 0.00 H new ATOM 814 N ASP A 52 -7.236 5.058 0.244 1.00 0.00 N ATOM 815 CA ASP A 52 -8.306 5.244 -0.741 1.00 0.00 C ATOM 816 C ASP A 52 -8.126 6.558 -1.528 1.00 0.00 C ATOM 817 O ASP A 52 -7.773 7.580 -0.939 1.00 0.00 O ATOM 818 CB ASP A 52 -9.648 5.273 0.000 1.00 0.00 C ATOM 819 CG ASP A 52 -10.800 4.992 -0.957 1.00 0.00 C ATOM 820 OD1 ASP A 52 -10.851 3.894 -1.486 1.00 0.00 O ATOM 821 OD2 ASP A 52 -11.616 5.878 -1.147 1.00 0.00 O ATOM 0 H ASP A 52 -7.484 5.341 1.192 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.274 4.421 -1.455 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -9.644 4.531 0.799 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.788 6.247 0.470 1.00 0.00 H new ATOM 826 N PRO A 53 -8.369 6.574 -2.834 1.00 0.00 N ATOM 827 CA PRO A 53 -8.230 7.820 -3.658 1.00 0.00 C ATOM 828 C PRO A 53 -9.244 8.895 -3.262 1.00 0.00 C ATOM 829 O PRO A 53 -10.108 9.277 -4.051 1.00 0.00 O ATOM 830 CB PRO A 53 -8.437 7.336 -5.106 1.00 0.00 C ATOM 831 CG PRO A 53 -9.233 6.080 -4.982 1.00 0.00 C ATOM 832 CD PRO A 53 -8.787 5.428 -3.673 1.00 0.00 C ATOM 0 HA PRO A 53 -7.262 8.301 -3.515 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -8.966 8.082 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.483 7.152 -5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -10.302 6.295 -4.967 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.053 5.418 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.598 4.867 -3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.966 4.729 -3.833 1.00 0.00 H new ATOM 840 N LYS A 54 -9.114 9.388 -2.032 1.00 0.00 N ATOM 841 CA LYS A 54 -9.999 10.434 -1.517 1.00 0.00 C ATOM 842 C LYS A 54 -9.177 11.455 -0.739 1.00 0.00 C ATOM 843 O LYS A 54 -9.202 12.650 -1.035 1.00 0.00 O ATOM 844 CB LYS A 54 -11.063 9.832 -0.589 1.00 0.00 C ATOM 845 CG LYS A 54 -11.908 8.790 -1.338 1.00 0.00 C ATOM 846 CD LYS A 54 -12.828 9.477 -2.357 1.00 0.00 C ATOM 847 CE LYS A 54 -13.946 8.515 -2.768 1.00 0.00 C ATOM 848 NZ LYS A 54 -14.878 9.206 -3.703 1.00 0.00 N ATOM 0 H LYS A 54 -8.402 9.079 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.496 10.916 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.582 9.367 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.708 10.623 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.255 8.082 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.505 8.218 -0.628 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.254 10.383 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.255 9.781 -3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.523 7.632 -3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.487 8.171 -1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.637 8.553 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.291 10.036 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.357 9.513 -4.549 1.00 0.00 H new ATOM 862 N LYS A 55 -8.439 10.967 0.253 1.00 0.00 N ATOM 863 CA LYS A 55 -7.597 11.836 1.071 1.00 0.00 C ATOM 864 C LYS A 55 -6.621 12.592 0.162 1.00 0.00 C ATOM 865 O LYS A 55 -6.249 12.104 -0.902 1.00 0.00 O ATOM 866 CB LYS A 55 -6.844 11.007 2.149 1.00 0.00 C ATOM 867 CG LYS A 55 -7.291 9.537 2.078 1.00 0.00 C ATOM 868 CD LYS A 55 -6.583 8.704 3.160 1.00 0.00 C ATOM 869 CE LYS A 55 -7.342 8.802 4.487 1.00 0.00 C ATOM 870 NZ LYS A 55 -8.747 8.342 4.295 1.00 0.00 N ATOM 0 H LYS A 55 -8.406 9.980 0.510 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.219 12.561 1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.768 11.078 1.990 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.047 11.412 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.371 9.473 2.210 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.066 9.130 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.521 7.662 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.561 9.059 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.850 8.193 5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.332 9.830 4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.078 7.867 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.356 9.161 4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.788 7.677 3.497 1.00 0.00 H new ATOM 884 N LYS A 56 -6.250 13.799 0.572 1.00 0.00 N ATOM 885 CA LYS A 56 -5.361 14.641 -0.229 1.00 0.00 C ATOM 886 C LYS A 56 -4.008 13.989 -0.531 1.00 0.00 C ATOM 887 O LYS A 56 -3.622 13.879 -1.694 1.00 0.00 O ATOM 888 CB LYS A 56 -5.129 15.971 0.493 1.00 0.00 C ATOM 889 CG LYS A 56 -4.544 16.995 -0.485 1.00 0.00 C ATOM 890 CD LYS A 56 -3.970 18.180 0.295 1.00 0.00 C ATOM 891 CE LYS A 56 -5.097 18.908 1.031 1.00 0.00 C ATOM 892 NZ LYS A 56 -4.621 20.253 1.462 1.00 0.00 N ATOM 0 H LYS A 56 -6.549 14.219 1.452 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.859 14.795 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.068 16.341 0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.449 15.826 1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.764 16.532 -1.089 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.317 17.339 -1.172 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.223 17.831 1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.465 18.865 -0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.965 19.009 0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.414 18.328 1.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.387 20.748 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.805 20.145 2.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.339 20.805 0.627 1.00 0.00 H new ATOM 906 N TRP A 57 -3.269 13.597 0.504 1.00 0.00 N ATOM 907 CA TRP A 57 -1.945 13.011 0.286 1.00 0.00 C ATOM 908 C TRP A 57 -2.003 11.801 -0.641 1.00 0.00 C ATOM 909 O TRP A 57 -0.998 11.434 -1.249 1.00 0.00 O ATOM 910 CB TRP A 57 -1.296 12.621 1.621 1.00 0.00 C ATOM 911 CG TRP A 57 -1.913 11.371 2.166 1.00 0.00 C ATOM 912 CD1 TRP A 57 -3.015 11.330 2.948 1.00 0.00 C ATOM 913 CD2 TRP A 57 -1.479 9.988 1.995 1.00 0.00 C ATOM 914 NE1 TRP A 57 -3.285 10.013 3.270 1.00 0.00 N ATOM 915 CE2 TRP A 57 -2.369 9.148 2.704 1.00 0.00 C ATOM 916 CE3 TRP A 57 -0.410 9.386 1.301 1.00 0.00 C ATOM 917 CZ2 TRP A 57 -2.207 7.762 2.726 1.00 0.00 C ATOM 918 CZ3 TRP A 57 -0.246 7.992 1.321 1.00 0.00 C ATOM 919 CH2 TRP A 57 -1.142 7.181 2.032 1.00 0.00 C ATOM 0 H TRP A 57 -3.553 13.671 1.481 1.00 0.00 H new ATOM 0 HA TRP A 57 -1.334 13.773 -0.198 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -0.225 12.472 1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -1.413 13.433 2.339 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -3.590 12.186 3.269 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -4.066 9.716 3.855 1.00 0.00 H new ATOM 0 HE3 TRP A 57 0.287 10.001 0.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -2.900 7.142 3.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 0.576 7.541 0.785 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -1.009 6.109 2.043 1.00 0.00 H new ATOM 930 N VAL A 58 -3.172 11.183 -0.757 1.00 0.00 N ATOM 931 CA VAL A 58 -3.307 10.024 -1.629 1.00 0.00 C ATOM 932 C VAL A 58 -3.306 10.460 -3.088 1.00 0.00 C ATOM 933 O VAL A 58 -2.515 9.966 -3.886 1.00 0.00 O ATOM 934 CB VAL A 58 -4.600 9.263 -1.311 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.812 8.136 -2.328 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.504 8.660 0.093 1.00 0.00 C ATOM 0 H VAL A 58 -4.024 11.458 -0.269 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.459 9.361 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.440 9.956 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.733 7.602 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.884 8.559 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.971 7.444 -2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.423 8.119 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.658 7.974 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.363 9.457 0.823 1.00 0.00 H new ATOM 946 N GLN A 59 -4.194 11.385 -3.435 1.00 0.00 N ATOM 947 CA GLN A 59 -4.271 11.864 -4.809 1.00 0.00 C ATOM 948 C GLN A 59 -3.021 12.668 -5.169 1.00 0.00 C ATOM 949 O GLN A 59 -2.571 12.657 -6.314 1.00 0.00 O ATOM 950 CB GLN A 59 -5.535 12.727 -5.007 1.00 0.00 C ATOM 951 CG GLN A 59 -6.656 12.254 -4.062 1.00 0.00 C ATOM 952 CD GLN A 59 -8.026 12.585 -4.652 1.00 0.00 C ATOM 953 OE1 GLN A 59 -8.501 11.888 -5.549 1.00 0.00 O ATOM 954 NE2 GLN A 59 -8.692 13.612 -4.199 1.00 0.00 N ATOM 0 H GLN A 59 -4.862 11.813 -2.794 1.00 0.00 H new ATOM 0 HA GLN A 59 -4.330 11.000 -5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -5.303 13.774 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.870 12.662 -6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.573 11.179 -3.899 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.547 12.733 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.297 14.188 -3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -9.607 13.838 -4.588 1.00 0.00 H new ATOM 963 N ASP A 60 -2.476 13.371 -4.182 1.00 0.00 N ATOM 964 CA ASP A 60 -1.286 14.190 -4.399 1.00 0.00 C ATOM 965 C ASP A 60 -0.029 13.329 -4.529 1.00 0.00 C ATOM 966 O ASP A 60 0.912 13.695 -5.232 1.00 0.00 O ATOM 967 CB ASP A 60 -1.113 15.168 -3.231 1.00 0.00 C ATOM 968 CG ASP A 60 -0.175 16.303 -3.629 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.550 17.078 -4.494 1.00 0.00 O ATOM 970 OD2 ASP A 60 0.902 16.382 -3.063 1.00 0.00 O ATOM 0 H ASP A 60 -2.836 13.391 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.422 14.739 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.082 15.573 -2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.713 14.643 -2.364 1.00 0.00 H new ATOM 975 N SER A 61 -0.012 12.194 -3.837 1.00 0.00 N ATOM 976 CA SER A 61 1.148 11.307 -3.875 1.00 0.00 C ATOM 977 C SER A 61 1.366 10.733 -5.276 1.00 0.00 C ATOM 978 O SER A 61 2.471 10.805 -5.814 1.00 0.00 O ATOM 979 CB SER A 61 0.959 10.163 -2.876 1.00 0.00 C ATOM 980 OG SER A 61 -0.351 9.635 -3.010 1.00 0.00 O ATOM 0 H SER A 61 -0.779 11.868 -3.249 1.00 0.00 H new ATOM 0 HA SER A 61 2.027 11.892 -3.606 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.698 9.382 -3.055 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.116 10.523 -1.859 1.00 0.00 H new ATOM 0 HG SER A 61 -0.299 8.675 -3.199 1.00 0.00 H new ATOM 986 N MET A 62 0.318 10.159 -5.860 1.00 0.00 N ATOM 987 CA MET A 62 0.435 9.577 -7.196 1.00 0.00 C ATOM 988 C MET A 62 0.600 10.670 -8.247 1.00 0.00 C ATOM 989 O MET A 62 1.285 10.477 -9.251 1.00 0.00 O ATOM 990 CB MET A 62 -0.798 8.728 -7.520 1.00 0.00 C ATOM 991 CG MET A 62 -2.064 9.523 -7.212 1.00 0.00 C ATOM 992 SD MET A 62 -3.501 8.674 -7.916 1.00 0.00 S ATOM 993 CE MET A 62 -4.041 7.832 -6.407 1.00 0.00 C ATOM 0 H MET A 62 -0.608 10.084 -5.439 1.00 0.00 H new ATOM 0 HA MET A 62 1.319 8.939 -7.211 1.00 0.00 H new ATOM 0 HB2 MET A 62 -0.786 8.437 -8.570 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.783 7.809 -6.935 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.185 9.631 -6.134 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.984 10.528 -7.626 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.951 7.268 -6.611 1.00 0.00 H new ATOM 0 HE2 MET A 62 -3.260 7.150 -6.071 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.237 8.570 -5.629 1.00 0.00 H new ATOM 1003 N LYS A 63 -0.024 11.820 -8.008 1.00 0.00 N ATOM 1004 CA LYS A 63 0.075 12.934 -8.943 1.00 0.00 C ATOM 1005 C LYS A 63 1.526 13.383 -9.048 1.00 0.00 C ATOM 1006 O LYS A 63 1.980 13.836 -10.100 1.00 0.00 O ATOM 1007 CB LYS A 63 -0.805 14.096 -8.462 1.00 0.00 C ATOM 1008 CG LYS A 63 -0.605 15.332 -9.355 1.00 0.00 C ATOM 1009 CD LYS A 63 -0.855 14.968 -10.827 1.00 0.00 C ATOM 1010 CE LYS A 63 -1.169 16.235 -11.628 1.00 0.00 C ATOM 1011 NZ LYS A 63 -2.391 16.883 -11.073 1.00 0.00 N ATOM 0 H LYS A 63 -0.597 12.003 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.271 12.615 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.853 13.796 -8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.558 14.343 -7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.286 16.126 -9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.408 15.717 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.022 14.472 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.684 14.265 -10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.326 16.925 -11.583 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.321 15.986 -12.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.911 17.357 -11.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.999 16.161 -10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.117 17.584 -10.355 1.00 0.00 H new ATOM 1025 N TYR A 64 2.249 13.242 -7.944 1.00 0.00 N ATOM 1026 CA TYR A 64 3.653 13.621 -7.900 1.00 0.00 C ATOM 1027 C TYR A 64 4.486 12.582 -8.659 1.00 0.00 C ATOM 1028 O TYR A 64 5.501 12.912 -9.272 1.00 0.00 O ATOM 1029 CB TYR A 64 4.089 13.750 -6.415 1.00 0.00 C ATOM 1030 CG TYR A 64 5.444 13.110 -6.162 1.00 0.00 C ATOM 1031 CD1 TYR A 64 6.563 13.532 -6.890 1.00 0.00 C ATOM 1032 CD2 TYR A 64 5.577 12.098 -5.199 1.00 0.00 C ATOM 1033 CE1 TYR A 64 7.813 12.946 -6.657 1.00 0.00 C ATOM 1034 CE2 TYR A 64 6.826 11.514 -4.967 1.00 0.00 C ATOM 1035 CZ TYR A 64 7.944 11.937 -5.694 1.00 0.00 C ATOM 1036 OH TYR A 64 9.176 11.360 -5.465 1.00 0.00 O ATOM 0 H TYR A 64 1.885 12.868 -7.068 1.00 0.00 H new ATOM 0 HA TYR A 64 3.812 14.584 -8.385 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.129 14.804 -6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.341 13.281 -5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.462 14.310 -7.632 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.715 11.770 -4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 64 8.676 13.272 -7.219 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.928 10.735 -4.226 1.00 0.00 H new ATOM 0 HH TYR A 64 9.093 10.679 -4.766 1.00 0.00 H new ATOM 1046 N LEU A 65 4.040 11.331 -8.615 1.00 0.00 N ATOM 1047 CA LEU A 65 4.742 10.253 -9.304 1.00 0.00 C ATOM 1048 C LEU A 65 4.502 10.347 -10.808 1.00 0.00 C ATOM 1049 O LEU A 65 5.256 9.786 -11.603 1.00 0.00 O ATOM 1050 CB LEU A 65 4.257 8.891 -8.775 1.00 0.00 C ATOM 1051 CG LEU A 65 4.967 8.558 -7.442 1.00 0.00 C ATOM 1052 CD1 LEU A 65 4.079 7.638 -6.587 1.00 0.00 C ATOM 1053 CD2 LEU A 65 6.314 7.863 -7.727 1.00 0.00 C ATOM 0 H LEU A 65 3.201 11.039 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 65 5.811 10.348 -9.114 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.177 8.913 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.462 8.112 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 65 5.148 9.484 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.588 7.409 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.135 8.139 -6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.885 6.713 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.810 7.631 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.138 6.941 -8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.948 8.525 -8.317 1.00 0.00 H new ATOM 1065 N ASP A 66 3.449 11.058 -11.183 1.00 0.00 N ATOM 1066 CA ASP A 66 3.111 11.224 -12.590 1.00 0.00 C ATOM 1067 C ASP A 66 4.190 12.027 -13.312 1.00 0.00 C ATOM 1068 O ASP A 66 4.504 11.761 -14.471 1.00 0.00 O ATOM 1069 CB ASP A 66 1.763 11.938 -12.709 1.00 0.00 C ATOM 1070 CG ASP A 66 1.154 11.696 -14.087 1.00 0.00 C ATOM 1071 OD1 ASP A 66 0.764 10.571 -14.352 1.00 0.00 O ATOM 1072 OD2 ASP A 66 1.087 12.641 -14.857 1.00 0.00 O ATOM 0 H ASP A 66 2.816 11.528 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 66 3.046 10.240 -13.055 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.084 11.578 -11.936 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.895 13.008 -12.545 1.00 0.00 H new ATOM 1077 N GLN A 67 4.753 13.011 -12.618 1.00 0.00 N ATOM 1078 CA GLN A 67 5.794 13.847 -13.204 1.00 0.00 C ATOM 1079 C GLN A 67 6.993 12.998 -13.617 1.00 0.00 C ATOM 1080 O GLN A 67 7.434 13.047 -14.765 1.00 0.00 O ATOM 1081 CB GLN A 67 6.241 14.908 -12.196 1.00 0.00 C ATOM 1082 CG GLN A 67 5.013 15.630 -11.636 1.00 0.00 C ATOM 1083 CD GLN A 67 5.449 16.722 -10.666 1.00 0.00 C ATOM 1084 OE1 GLN A 67 5.406 16.496 -9.381 1.00 0.00 O flip ATOM 1085 NE2 GLN A 67 5.838 17.810 -11.089 1.00 0.00 N flip ATOM 0 H GLN A 67 4.508 13.248 -11.657 1.00 0.00 H new ATOM 0 HA GLN A 67 5.386 14.336 -14.089 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.803 14.442 -11.386 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.909 15.623 -12.677 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.434 16.065 -12.450 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.363 14.918 -11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.871 17.985 -12.093 1.00 0.00 H new ATOM 0 HE22 GLN A 67 6.128 18.537 -10.435 1.00 0.00 H new ATOM 1094 N LYS A 68 7.514 12.219 -12.674 1.00 0.00 N ATOM 1095 CA LYS A 68 8.662 11.360 -12.953 1.00 0.00 C ATOM 1096 C LYS A 68 8.217 10.085 -13.663 1.00 0.00 C ATOM 1097 O LYS A 68 7.038 9.914 -13.969 1.00 0.00 O ATOM 1098 CB LYS A 68 9.388 11.005 -11.651 1.00 0.00 C ATOM 1099 CG LYS A 68 8.406 10.358 -10.664 1.00 0.00 C ATOM 1100 CD LYS A 68 9.067 10.200 -9.286 1.00 0.00 C ATOM 1101 CE LYS A 68 9.992 8.979 -9.282 1.00 0.00 C ATOM 1102 NZ LYS A 68 10.507 8.753 -7.901 1.00 0.00 N ATOM 0 H LYS A 68 7.164 12.164 -11.718 1.00 0.00 H new ATOM 0 HA LYS A 68 9.346 11.903 -13.605 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.212 10.322 -11.858 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.822 11.903 -11.210 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.509 10.971 -10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.091 9.384 -11.038 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.636 11.097 -9.042 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.302 10.089 -8.518 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.452 8.098 -9.629 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.822 9.136 -9.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.135 7.924 -7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.037 9.591 -7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.709 8.586 -7.256 1.00 0.00 H new ATOM 1116 N SER A 69 9.175 9.196 -13.933 1.00 0.00 N ATOM 1117 CA SER A 69 8.886 7.932 -14.619 1.00 0.00 C ATOM 1118 C SER A 69 9.219 6.741 -13.719 1.00 0.00 C ATOM 1119 O SER A 69 10.313 6.183 -13.804 1.00 0.00 O ATOM 1120 CB SER A 69 9.725 7.843 -15.896 1.00 0.00 C ATOM 1121 OG SER A 69 9.350 8.894 -16.777 1.00 0.00 O ATOM 0 H SER A 69 10.157 9.326 -13.688 1.00 0.00 H new ATOM 0 HA SER A 69 7.824 7.905 -14.864 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.785 7.916 -15.654 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.574 6.877 -16.378 1.00 0.00 H new ATOM 0 HG SER A 69 9.886 8.842 -17.596 1.00 0.00 H new ATOM 1127 N PRO A 70 8.308 6.341 -12.866 1.00 0.00 N ATOM 1128 CA PRO A 70 8.526 5.188 -11.940 1.00 0.00 C ATOM 1129 C PRO A 70 8.993 3.934 -12.680 1.00 0.00 C ATOM 1130 O PRO A 70 9.311 2.919 -12.061 1.00 0.00 O ATOM 1131 CB PRO A 70 7.148 4.977 -11.291 1.00 0.00 C ATOM 1132 CG PRO A 70 6.470 6.306 -11.387 1.00 0.00 C ATOM 1133 CD PRO A 70 6.973 6.938 -12.686 1.00 0.00 C ATOM 0 HA PRO A 70 9.313 5.387 -11.212 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.580 4.205 -11.811 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.245 4.657 -10.254 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.386 6.192 -11.402 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.713 6.932 -10.528 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.315 6.709 -13.524 1.00 0.00 H new ATOM 0 HD3 PRO A 70 7.026 8.024 -12.609 1.00 0.00 H new ATOM 1368 N ASP B 218 7.678 11.200 12.152 1.00 0.00 N ATOM 1369 CA ASP B 218 8.424 12.198 12.910 1.00 0.00 C ATOM 1370 C ASP B 218 9.576 11.549 13.669 1.00 0.00 C ATOM 1371 O ASP B 218 10.600 12.183 13.924 1.00 0.00 O ATOM 1372 CB ASP B 218 7.495 12.906 13.898 1.00 0.00 C ATOM 1373 CG ASP B 218 6.945 11.902 14.906 1.00 0.00 C ATOM 1374 OD1 ASP B 218 6.402 10.897 14.476 1.00 0.00 O ATOM 1375 OD2 ASP B 218 7.075 12.154 16.093 1.00 0.00 O ATOM 0 HA ASP B 218 8.832 12.926 12.209 1.00 0.00 H new ATOM 0 HB2 ASP B 218 8.037 13.696 14.418 1.00 0.00 H new ATOM 0 HB3 ASP B 218 6.674 13.382 13.361 1.00 0.00 H new ATOM 1380 N ASP B 219 9.403 10.282 14.028 1.00 0.00 N ATOM 1381 CA ASP B 219 10.437 9.558 14.758 1.00 0.00 C ATOM 1382 C ASP B 219 11.608 9.225 13.838 1.00 0.00 C ATOM 1383 O ASP B 219 12.756 9.168 14.277 1.00 0.00 O ATOM 1384 CB ASP B 219 9.859 8.265 15.339 1.00 0.00 C ATOM 1385 CG ASP B 219 8.895 8.591 16.474 1.00 0.00 C ATOM 1386 OD1 ASP B 219 9.288 9.323 17.368 1.00 0.00 O ATOM 1387 OD2 ASP B 219 7.777 8.103 16.434 1.00 0.00 O ATOM 0 H ASP B 219 8.564 9.738 13.828 1.00 0.00 H new ATOM 0 HA ASP B 219 10.795 10.192 15.569 1.00 0.00 H new ATOM 0 HB2 ASP B 219 9.341 7.706 14.560 1.00 0.00 H new ATOM 0 HB3 ASP B 219 10.665 7.629 15.706 1.00 0.00 H new ATOM 1392 N VAL B 220 11.305 9.009 12.562 1.00 0.00 N ATOM 1393 CA VAL B 220 12.334 8.682 11.580 1.00 0.00 C ATOM 1394 C VAL B 220 13.020 7.368 11.938 1.00 0.00 C ATOM 1395 O VAL B 220 12.845 6.360 11.252 1.00 0.00 O ATOM 1396 CB VAL B 220 13.373 9.804 11.511 1.00 0.00 C ATOM 1397 CG1 VAL B 220 14.216 9.646 10.244 1.00 0.00 C ATOM 1398 CG2 VAL B 220 12.658 11.157 11.481 1.00 0.00 C ATOM 0 H VAL B 220 10.359 9.054 12.184 1.00 0.00 H new ATOM 0 HA VAL B 220 11.856 8.574 10.606 1.00 0.00 H new ATOM 0 HB VAL B 220 14.021 9.752 12.386 1.00 0.00 H new ATOM 0 HG11 VAL B 220 14.955 10.446 10.197 1.00 0.00 H new ATOM 0 HG12 VAL B 220 14.725 8.682 10.263 1.00 0.00 H new ATOM 0 HG13 VAL B 220 13.569 9.697 9.368 1.00 0.00 H new ATOM 0 HG21 VAL B 220 13.396 11.958 11.432 1.00 0.00 H new ATOM 0 HG22 VAL B 220 12.010 11.207 10.606 1.00 0.00 H new ATOM 0 HG23 VAL B 220 12.058 11.272 12.384 1.00 0.00 H new ATOM 1408 N GLY B 221 13.799 7.381 13.017 1.00 0.00 N ATOM 1409 CA GLY B 221 14.502 6.179 13.456 1.00 0.00 C ATOM 1410 C GLY B 221 13.574 4.968 13.425 1.00 0.00 C ATOM 1411 O GLY B 221 14.025 3.824 13.480 1.00 0.00 O ATOM 0 H GLY B 221 13.958 8.203 13.599 1.00 0.00 H new ATOM 0 HA2 GLY B 221 15.363 6.000 12.812 1.00 0.00 H new ATOM 0 HA3 GLY B 221 14.884 6.324 14.466 1.00 0.00 H new ATOM 1415 N LEU B 222 12.274 5.233 13.331 1.00 0.00 N ATOM 1416 CA LEU B 222 11.274 4.170 13.286 1.00 0.00 C ATOM 1417 C LEU B 222 11.756 3.027 12.393 1.00 0.00 C ATOM 1418 O LEU B 222 11.621 1.854 12.742 1.00 0.00 O ATOM 1419 CB LEU B 222 9.951 4.758 12.761 1.00 0.00 C ATOM 1420 CG LEU B 222 8.854 3.679 12.598 1.00 0.00 C ATOM 1421 CD1 LEU B 222 9.105 2.792 11.355 1.00 0.00 C ATOM 1422 CD2 LEU B 222 8.777 2.813 13.865 1.00 0.00 C ATOM 0 H LEU B 222 11.888 6.176 13.284 1.00 0.00 H new ATOM 0 HA LEU B 222 11.116 3.765 14.286 1.00 0.00 H new ATOM 0 HB2 LEU B 222 9.601 5.529 13.447 1.00 0.00 H new ATOM 0 HB3 LEU B 222 10.127 5.243 11.801 1.00 0.00 H new ATOM 0 HG LEU B 222 7.902 4.189 12.451 1.00 0.00 H new ATOM 0 HD11 LEU B 222 8.314 2.046 11.274 1.00 0.00 H new ATOM 0 HD12 LEU B 222 9.111 3.414 10.460 1.00 0.00 H new ATOM 0 HD13 LEU B 222 10.068 2.290 11.454 1.00 0.00 H new ATOM 0 HD21 LEU B 222 8.002 2.056 13.742 1.00 0.00 H new ATOM 0 HD22 LEU B 222 9.738 2.325 14.031 1.00 0.00 H new ATOM 0 HD23 LEU B 222 8.536 3.442 14.722 1.00 0.00 H new ATOM 1434 N LEU B 223 12.333 3.380 11.245 1.00 0.00 N ATOM 1435 CA LEU B 223 12.847 2.380 10.305 1.00 0.00 C ATOM 1436 C LEU B 223 13.514 1.225 11.056 1.00 0.00 C ATOM 1437 O LEU B 223 14.593 1.434 11.587 1.00 0.00 O ATOM 1438 CB LEU B 223 13.859 3.043 9.351 1.00 0.00 C ATOM 1439 CG LEU B 223 13.943 2.288 8.007 1.00 0.00 C ATOM 1440 CD1 LEU B 223 14.161 0.791 8.253 1.00 0.00 C ATOM 1441 CD2 LEU B 223 12.658 2.498 7.180 1.00 0.00 C ATOM 1442 OXT LEU B 223 12.934 0.151 11.087 1.00 0.00 O ATOM 0 H LEU B 223 12.457 4.346 10.943 1.00 0.00 H new ATOM 0 HA LEU B 223 12.014 1.978 9.729 1.00 0.00 H new ATOM 0 HB2 LEU B 223 13.568 4.078 9.171 1.00 0.00 H new ATOM 0 HB3 LEU B 223 14.843 3.065 9.820 1.00 0.00 H new ATOM 0 HG LEU B 223 14.788 2.687 7.446 1.00 0.00 H new ATOM 0 HD11 LEU B 223 14.218 0.270 7.297 1.00 0.00 H new ATOM 0 HD12 LEU B 223 15.091 0.644 8.803 1.00 0.00 H new ATOM 0 HD13 LEU B 223 13.329 0.393 8.834 1.00 0.00 H new ATOM 0 HD21 LEU B 223 12.740 1.957 6.237 1.00 0.00 H new ATOM 0 HD22 LEU B 223 11.800 2.125 7.739 1.00 0.00 H new ATOM 0 HD23 LEU B 223 12.525 3.561 6.978 1.00 0.00 H new