USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1003 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -0.805 K(o=-1.6,f=-7.3!) USER MOD Set 1.2: A 67 SER OG : rot -79:sc= -0.762 USER MOD Set 2.1: A 7 TYR OH : rot -46:sc= 0.0148 USER MOD Set 2.2: B 29 SER OG : rot 18:sc= 0.785 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0494 USER MOD Single : A 11 GLN : amide:sc= -0.0372 K(o=-0.037,f=-0.65) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.0523 (180deg=-0.318) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0222 (180deg=-0.173) USER MOD Single : A 26 HIS : no HD1:sc= 0.452 K(o=0.45,f=-4.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 72:sc= 0.49 USER MOD Single : A 35 MET CE :methyl 163:sc= -0.0765 (180deg=-0.513) USER MOD Single : A 39 ASN : amide:sc= 0.957 K(o=0.96,f=0) USER MOD Single : A 42 THR OG1 : rot 76:sc= 1.25 USER MOD Single : A 43 ASN : amide:sc= 1.05 K(o=1.1,f=-0.082) USER MOD Single : A 46 ASN : amide:sc= -1.02 X(o=-1,f=-1.5) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0367 F(o=-1.4!,f=-0.037) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.529 F(o=-4.3!,f=-0.53) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 86:sc= 0.0752 USER MOD Single : B 8 THR OG1 : rot 26:sc= 0.0829 USER MOD Single : B 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HD1:sc= -0.157 K(o=-0.16,f=-0.76) USER MOD Single : B 33 THR OG1 : rot 74:sc= 0.833 USER MOD Single : B 35 MET CE :methyl 168:sc= -0.0295 (180deg=-0.292) USER MOD Single : B 39 ASN : amide:sc= -0.229 K(o=-0.23,f=-0.86!) USER MOD Single : B 42 THR OG1 : rot 75:sc= 1.27 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 46 ASN : amide:sc= 1.22 K(o=1.2,f=-0.02) USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : B 52 SER OG : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.928 K(o=-0.93,f=-4.9!) USER MOD Single : B 55 LYS NZ :NH3+ -172:sc= 0.981 (180deg=0.895) USER MOD Single : B 60 LYS NZ :NH3+ -151:sc= -0.478 (180deg=-1.73) USER MOD Single : B 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 66 MET CE :methyl 156:sc= -3.32! (180deg=-4.14!) USER MOD Single : B 67 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 77:sc= 0.822 USER MOD ----------------------------------------------------------------- ATOM 97 N TYR A 7 -5.592 5.105 16.630 1.00 0.00 N ATOM 98 CA TYR A 7 -5.902 6.490 16.272 1.00 0.00 C ATOM 99 C TYR A 7 -7.405 6.749 16.321 1.00 0.00 C ATOM 100 O TYR A 7 -8.196 5.873 16.689 1.00 0.00 O ATOM 101 CB TYR A 7 -5.361 6.837 14.876 1.00 0.00 C ATOM 102 CG TYR A 7 -3.877 6.598 14.723 1.00 0.00 C ATOM 103 CD1 TYR A 7 -2.953 7.412 15.364 1.00 0.00 C ATOM 104 CD2 TYR A 7 -3.401 5.553 13.938 1.00 0.00 C ATOM 105 CE1 TYR A 7 -1.597 7.191 15.231 1.00 0.00 C ATOM 106 CE2 TYR A 7 -2.047 5.328 13.802 1.00 0.00 C ATOM 107 CZ TYR A 7 -1.151 6.148 14.449 1.00 0.00 C ATOM 108 OH TYR A 7 0.196 5.918 14.322 1.00 0.00 O ATOM 0 HA TYR A 7 -5.413 7.130 17.006 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.894 6.245 14.132 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -5.575 7.884 14.663 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.301 8.231 15.976 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -4.102 4.909 13.428 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.890 7.832 15.737 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.692 4.512 13.190 1.00 0.00 H new ATOM 0 HH TYR A 7 0.658 6.766 14.156 1.00 0.00 H new ATOM 118 N THR A 8 -7.791 7.964 15.988 1.00 0.00 N ATOM 119 CA THR A 8 -9.192 8.299 15.854 1.00 0.00 C ATOM 120 C THR A 8 -9.629 8.116 14.409 1.00 0.00 C ATOM 121 O THR A 8 -8.873 8.417 13.478 1.00 0.00 O ATOM 122 CB THR A 8 -9.487 9.743 16.320 1.00 0.00 C ATOM 123 OG1 THR A 8 -10.798 10.144 15.899 1.00 0.00 O ATOM 124 CG2 THR A 8 -8.457 10.724 15.781 1.00 0.00 C ATOM 0 H THR A 8 -7.151 8.737 15.805 1.00 0.00 H new ATOM 0 HA THR A 8 -9.759 7.626 16.497 1.00 0.00 H new ATOM 0 HB THR A 8 -9.434 9.754 17.409 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.973 11.059 16.202 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.695 11.729 16.128 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.466 10.443 16.137 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.471 10.704 14.691 1.00 0.00 H new ATOM 132 N ASP A 9 -10.842 7.612 14.227 1.00 0.00 N ATOM 133 CA ASP A 9 -11.379 7.359 12.896 1.00 0.00 C ATOM 134 C ASP A 9 -11.501 8.661 12.121 1.00 0.00 C ATOM 135 O ASP A 9 -11.424 8.674 10.894 1.00 0.00 O ATOM 136 CB ASP A 9 -12.743 6.671 12.987 1.00 0.00 C ATOM 137 CG ASP A 9 -12.654 5.283 13.587 1.00 0.00 C ATOM 138 OD1 ASP A 9 -12.668 5.164 14.832 1.00 0.00 O ATOM 139 OD2 ASP A 9 -12.572 4.301 12.818 1.00 0.00 O ATOM 0 H ASP A 9 -11.476 7.369 14.988 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.692 6.697 12.369 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.415 7.282 13.590 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.180 6.605 11.991 1.00 0.00 H new ATOM 144 N GLU A 10 -11.670 9.752 12.858 1.00 0.00 N ATOM 145 CA GLU A 10 -11.754 11.082 12.270 1.00 0.00 C ATOM 146 C GLU A 10 -10.467 11.417 11.526 1.00 0.00 C ATOM 147 O GLU A 10 -10.487 11.771 10.348 1.00 0.00 O ATOM 148 CB GLU A 10 -11.979 12.127 13.360 1.00 0.00 C ATOM 149 CG GLU A 10 -13.197 11.868 14.226 1.00 0.00 C ATOM 150 CD GLU A 10 -13.351 12.914 15.305 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.574 14.095 14.959 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.224 12.575 16.497 1.00 0.00 O ATOM 0 H GLU A 10 -11.752 9.740 13.875 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.591 11.092 11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.096 12.167 13.997 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.080 13.107 12.893 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.091 11.855 13.602 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.114 10.883 14.684 1.00 0.00 H new ATOM 159 N GLN A 11 -9.352 11.287 12.237 1.00 0.00 N ATOM 160 CA GLN A 11 -8.037 11.614 11.702 1.00 0.00 C ATOM 161 C GLN A 11 -7.749 10.792 10.455 1.00 0.00 C ATOM 162 O GLN A 11 -7.370 11.333 9.418 1.00 0.00 O ATOM 163 CB GLN A 11 -6.970 11.348 12.764 1.00 0.00 C ATOM 164 CG GLN A 11 -5.577 11.824 12.390 1.00 0.00 C ATOM 165 CD GLN A 11 -4.552 11.476 13.452 1.00 0.00 C ATOM 166 OE1 GLN A 11 -4.876 11.377 14.636 1.00 0.00 O ATOM 167 NE2 GLN A 11 -3.307 11.308 13.046 1.00 0.00 N ATOM 0 H GLN A 11 -9.335 10.952 13.200 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.020 12.669 11.430 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.270 11.835 13.692 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.933 10.277 12.964 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.283 11.374 11.442 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.591 12.904 12.240 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.077 11.398 12.056 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.575 11.088 13.722 1.00 0.00 H new ATOM 176 N VAL A 12 -7.961 9.488 10.559 1.00 0.00 N ATOM 177 CA VAL A 12 -7.697 8.583 9.453 1.00 0.00 C ATOM 178 C VAL A 12 -8.552 8.938 8.239 1.00 0.00 C ATOM 179 O VAL A 12 -8.034 9.105 7.135 1.00 0.00 O ATOM 180 CB VAL A 12 -7.964 7.118 9.850 1.00 0.00 C ATOM 181 CG1 VAL A 12 -7.675 6.185 8.685 1.00 0.00 C ATOM 182 CG2 VAL A 12 -7.134 6.730 11.066 1.00 0.00 C ATOM 0 H VAL A 12 -8.316 9.034 11.400 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.644 8.693 9.196 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.018 7.023 10.111 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.870 5.156 8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.317 6.444 7.843 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.631 6.285 8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.338 5.692 11.329 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.075 6.845 10.835 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.394 7.375 11.905 1.00 0.00 H new ATOM 192 N GLU A 13 -9.857 9.075 8.459 1.00 0.00 N ATOM 193 CA GLU A 13 -10.797 9.340 7.375 1.00 0.00 C ATOM 194 C GLU A 13 -10.477 10.660 6.676 1.00 0.00 C ATOM 195 O GLU A 13 -10.481 10.739 5.449 1.00 0.00 O ATOM 196 CB GLU A 13 -12.229 9.377 7.913 1.00 0.00 C ATOM 197 CG GLU A 13 -13.287 9.489 6.828 1.00 0.00 C ATOM 198 CD GLU A 13 -14.679 9.683 7.389 1.00 0.00 C ATOM 199 OE1 GLU A 13 -15.255 8.708 7.916 1.00 0.00 O ATOM 200 OE2 GLU A 13 -15.212 10.808 7.291 1.00 0.00 O ATOM 0 H GLU A 13 -10.288 9.007 9.381 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.703 8.533 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.412 8.474 8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.330 10.221 8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -13.043 10.326 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.269 8.588 6.214 1.00 0.00 H new ATOM 207 N LYS A 14 -10.185 11.689 7.463 1.00 0.00 N ATOM 208 CA LYS A 14 -9.934 13.015 6.917 1.00 0.00 C ATOM 209 C LYS A 14 -8.659 13.040 6.081 1.00 0.00 C ATOM 210 O LYS A 14 -8.618 13.683 5.030 1.00 0.00 O ATOM 211 CB LYS A 14 -9.866 14.063 8.031 1.00 0.00 C ATOM 212 CG LYS A 14 -11.194 14.768 8.286 1.00 0.00 C ATOM 213 CD LYS A 14 -12.300 13.794 8.665 1.00 0.00 C ATOM 214 CE LYS A 14 -13.659 14.479 8.709 1.00 0.00 C ATOM 215 NZ LYS A 14 -14.082 14.977 7.369 1.00 0.00 N ATOM 0 H LYS A 14 -10.117 11.630 8.479 1.00 0.00 H new ATOM 0 HA LYS A 14 -10.770 13.263 6.263 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -9.537 13.582 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.112 14.807 7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.067 15.499 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.488 15.319 7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.327 12.976 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.081 13.355 9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.405 13.779 9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.621 15.313 9.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -15.104 15.170 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.566 15.852 7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.871 14.257 6.649 1.00 0.00 H new ATOM 229 N ILE A 15 -7.626 12.334 6.535 1.00 0.00 N ATOM 230 CA ILE A 15 -6.373 12.269 5.790 1.00 0.00 C ATOM 231 C ILE A 15 -6.539 11.418 4.533 1.00 0.00 C ATOM 232 O ILE A 15 -6.016 11.761 3.471 1.00 0.00 O ATOM 233 CB ILE A 15 -5.214 11.722 6.653 1.00 0.00 C ATOM 234 CG1 ILE A 15 -5.007 12.614 7.881 1.00 0.00 C ATOM 235 CG2 ILE A 15 -3.932 11.643 5.832 1.00 0.00 C ATOM 236 CD1 ILE A 15 -3.882 12.157 8.783 1.00 0.00 C ATOM 0 H ILE A 15 -7.632 11.804 7.406 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.117 13.288 5.501 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.471 10.717 6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.804 13.632 7.549 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.932 12.645 8.456 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.125 11.256 6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.085 10.979 4.981 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.668 12.638 5.473 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.796 12.837 9.630 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.092 11.151 9.145 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.946 12.153 8.224 1.00 0.00 H new ATOM 248 N LEU A 16 -7.283 10.320 4.651 1.00 0.00 N ATOM 249 CA LEU A 16 -7.591 9.480 3.497 1.00 0.00 C ATOM 250 C LEU A 16 -8.319 10.293 2.437 1.00 0.00 C ATOM 251 O LEU A 16 -8.009 10.200 1.251 1.00 0.00 O ATOM 252 CB LEU A 16 -8.451 8.280 3.899 1.00 0.00 C ATOM 253 CG LEU A 16 -7.755 7.224 4.757 1.00 0.00 C ATOM 254 CD1 LEU A 16 -8.747 6.151 5.168 1.00 0.00 C ATOM 255 CD2 LEU A 16 -6.585 6.607 4.004 1.00 0.00 C ATOM 0 H LEU A 16 -7.682 9.993 5.531 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.649 9.110 3.092 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.322 8.646 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.819 7.800 2.992 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.366 7.705 5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.242 5.403 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.555 6.603 5.743 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.158 5.675 4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.103 5.858 4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.948 6.136 3.091 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.865 7.385 3.750 1.00 0.00 H new ATOM 267 N ALA A 17 -9.279 11.098 2.884 1.00 0.00 N ATOM 268 CA ALA A 17 -10.040 11.966 1.994 1.00 0.00 C ATOM 269 C ALA A 17 -9.114 12.917 1.246 1.00 0.00 C ATOM 270 O ALA A 17 -9.273 13.128 0.046 1.00 0.00 O ATOM 271 CB ALA A 17 -11.086 12.746 2.778 1.00 0.00 C ATOM 0 H ALA A 17 -9.549 11.166 3.865 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.551 11.341 1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.645 13.389 2.098 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.770 12.050 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.593 13.358 3.533 1.00 0.00 H new ATOM 277 N GLU A 18 -8.139 13.471 1.961 1.00 0.00 N ATOM 278 CA GLU A 18 -7.155 14.364 1.360 1.00 0.00 C ATOM 279 C GLU A 18 -6.419 13.666 0.228 1.00 0.00 C ATOM 280 O GLU A 18 -6.371 14.170 -0.894 1.00 0.00 O ATOM 281 CB GLU A 18 -6.151 14.841 2.411 1.00 0.00 C ATOM 282 CG GLU A 18 -6.750 15.752 3.468 1.00 0.00 C ATOM 283 CD GLU A 18 -7.257 17.053 2.888 1.00 0.00 C ATOM 284 OE1 GLU A 18 -6.471 18.013 2.798 1.00 0.00 O ATOM 285 OE2 GLU A 18 -8.448 17.122 2.519 1.00 0.00 O ATOM 0 H GLU A 18 -8.010 13.316 2.961 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.684 15.227 0.957 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.713 13.972 2.901 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.339 15.368 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.570 15.235 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.999 15.965 4.228 1.00 0.00 H new ATOM 292 N VAL A 19 -5.862 12.497 0.525 1.00 0.00 N ATOM 293 CA VAL A 19 -5.129 11.720 -0.466 1.00 0.00 C ATOM 294 C VAL A 19 -6.035 11.351 -1.638 1.00 0.00 C ATOM 295 O VAL A 19 -5.657 11.499 -2.801 1.00 0.00 O ATOM 296 CB VAL A 19 -4.534 10.432 0.148 1.00 0.00 C ATOM 297 CG1 VAL A 19 -3.764 9.634 -0.896 1.00 0.00 C ATOM 298 CG2 VAL A 19 -3.636 10.768 1.328 1.00 0.00 C ATOM 0 H VAL A 19 -5.905 12.066 1.448 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.309 12.344 -0.823 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.360 9.816 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.356 8.733 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.435 9.356 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.949 10.241 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.227 9.849 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.820 11.409 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.216 11.287 2.091 1.00 0.00 H new ATOM 308 N ALA A 20 -7.243 10.900 -1.319 1.00 0.00 N ATOM 309 CA ALA A 20 -8.215 10.501 -2.329 1.00 0.00 C ATOM 310 C ALA A 20 -8.561 11.664 -3.252 1.00 0.00 C ATOM 311 O ALA A 20 -8.717 11.480 -4.458 1.00 0.00 O ATOM 312 CB ALA A 20 -9.471 9.958 -1.667 1.00 0.00 C ATOM 0 H ALA A 20 -7.574 10.801 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.767 9.714 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.188 9.664 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.215 9.091 -1.058 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.911 10.729 -1.035 1.00 0.00 H new ATOM 318 N LEU A 21 -8.672 12.861 -2.688 1.00 0.00 N ATOM 319 CA LEU A 21 -8.983 14.043 -3.479 1.00 0.00 C ATOM 320 C LEU A 21 -7.825 14.402 -4.398 1.00 0.00 C ATOM 321 O LEU A 21 -8.038 14.844 -5.522 1.00 0.00 O ATOM 322 CB LEU A 21 -9.338 15.231 -2.586 1.00 0.00 C ATOM 323 CG LEU A 21 -10.655 15.095 -1.820 1.00 0.00 C ATOM 324 CD1 LEU A 21 -10.963 16.376 -1.066 1.00 0.00 C ATOM 325 CD2 LEU A 21 -11.793 14.749 -2.769 1.00 0.00 C ATOM 0 H LEU A 21 -8.552 13.037 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.853 13.807 -4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.532 15.380 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.385 16.128 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.552 14.284 -1.099 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.903 16.263 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.161 16.583 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -11.047 17.202 -1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.721 14.656 -2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.898 15.538 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.576 13.805 -3.268 1.00 0.00 H new ATOM 337 N VAL A 22 -6.600 14.197 -3.928 1.00 0.00 N ATOM 338 CA VAL A 22 -5.424 14.432 -4.757 1.00 0.00 C ATOM 339 C VAL A 22 -5.435 13.484 -5.951 1.00 0.00 C ATOM 340 O VAL A 22 -5.160 13.880 -7.084 1.00 0.00 O ATOM 341 CB VAL A 22 -4.113 14.249 -3.959 1.00 0.00 C ATOM 342 CG1 VAL A 22 -2.899 14.444 -4.855 1.00 0.00 C ATOM 343 CG2 VAL A 22 -4.064 15.213 -2.785 1.00 0.00 C ATOM 0 H VAL A 22 -6.396 13.871 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.463 15.465 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.092 13.230 -3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.989 14.310 -4.270 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.922 13.713 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.915 15.449 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.134 15.070 -2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.113 16.238 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.910 15.024 -2.124 1.00 0.00 H new ATOM 353 N LEU A 23 -5.783 12.233 -5.685 1.00 0.00 N ATOM 354 CA LEU A 23 -5.883 11.226 -6.731 1.00 0.00 C ATOM 355 C LEU A 23 -7.014 11.572 -7.695 1.00 0.00 C ATOM 356 O LEU A 23 -6.859 11.474 -8.912 1.00 0.00 O ATOM 357 CB LEU A 23 -6.127 9.847 -6.114 1.00 0.00 C ATOM 358 CG LEU A 23 -5.108 9.418 -5.055 1.00 0.00 C ATOM 359 CD1 LEU A 23 -5.470 8.054 -4.488 1.00 0.00 C ATOM 360 CD2 LEU A 23 -3.705 9.401 -5.636 1.00 0.00 C ATOM 0 H LEU A 23 -6.002 11.890 -4.749 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.944 11.206 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.120 9.838 -5.665 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.132 9.105 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.131 10.145 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.735 7.765 -3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.458 8.101 -4.030 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.477 7.317 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.996 9.094 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.664 8.699 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.446 10.399 -5.990 1.00 0.00 H new ATOM 372 N GLU A 24 -8.141 11.997 -7.134 1.00 0.00 N ATOM 373 CA GLU A 24 -9.323 12.344 -7.915 1.00 0.00 C ATOM 374 C GLU A 24 -9.042 13.558 -8.804 1.00 0.00 C ATOM 375 O GLU A 24 -9.316 13.536 -10.005 1.00 0.00 O ATOM 376 CB GLU A 24 -10.499 12.625 -6.964 1.00 0.00 C ATOM 377 CG GLU A 24 -11.874 12.319 -7.547 1.00 0.00 C ATOM 378 CD GLU A 24 -12.298 13.289 -8.628 1.00 0.00 C ATOM 379 OE1 GLU A 24 -12.528 14.473 -8.309 1.00 0.00 O ATOM 380 OE2 GLU A 24 -12.409 12.875 -9.801 1.00 0.00 O ATOM 0 H GLU A 24 -8.261 12.110 -6.127 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.583 11.508 -8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.364 12.036 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.469 13.674 -6.670 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.870 11.309 -7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.612 12.335 -6.745 1.00 0.00 H new ATOM 387 N LYS A 25 -8.465 14.602 -8.213 1.00 0.00 N ATOM 388 CA LYS A 25 -8.173 15.839 -8.934 1.00 0.00 C ATOM 389 C LYS A 25 -7.132 15.625 -10.031 1.00 0.00 C ATOM 390 O LYS A 25 -7.064 16.393 -10.986 1.00 0.00 O ATOM 391 CB LYS A 25 -7.697 16.927 -7.963 1.00 0.00 C ATOM 392 CG LYS A 25 -8.794 17.434 -7.034 1.00 0.00 C ATOM 393 CD LYS A 25 -8.248 18.361 -5.955 1.00 0.00 C ATOM 394 CE LYS A 25 -7.624 19.621 -6.536 1.00 0.00 C ATOM 395 NZ LYS A 25 -8.593 20.414 -7.339 1.00 0.00 N ATOM 0 H LYS A 25 -8.189 14.615 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.098 16.163 -9.411 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.876 16.534 -7.363 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.300 17.765 -8.535 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.548 17.962 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.292 16.586 -6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.054 18.638 -5.275 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.502 17.828 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.236 20.238 -5.726 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.775 19.347 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.177 21.338 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.815 19.904 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.465 20.555 -6.790 1.00 0.00 H new ATOM 409 N HIS A 26 -6.318 14.585 -9.896 1.00 0.00 N ATOM 410 CA HIS A 26 -5.314 14.276 -10.911 1.00 0.00 C ATOM 411 C HIS A 26 -5.758 13.112 -11.791 1.00 0.00 C ATOM 412 O HIS A 26 -4.996 12.649 -12.643 1.00 0.00 O ATOM 413 CB HIS A 26 -3.960 13.962 -10.269 1.00 0.00 C ATOM 414 CG HIS A 26 -3.238 15.171 -9.754 1.00 0.00 C ATOM 415 ND1 HIS A 26 -2.499 16.009 -10.560 1.00 0.00 N ATOM 416 CD2 HIS A 26 -3.132 15.672 -8.502 1.00 0.00 C ATOM 417 CE1 HIS A 26 -1.971 16.968 -9.826 1.00 0.00 C ATOM 418 NE2 HIS A 26 -2.338 16.789 -8.573 1.00 0.00 N ATOM 0 H HIS A 26 -6.331 13.945 -9.102 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.204 15.160 -11.539 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.112 13.264 -9.446 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.329 13.459 -11.002 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -3.588 15.267 -7.611 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.343 17.767 -10.191 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.075 17.383 -7.786 1.00 0.00 H new ATOM 427 N ALA A 27 -6.992 12.649 -11.576 1.00 0.00 N ATOM 428 CA ALA A 27 -7.578 11.561 -12.366 1.00 0.00 C ATOM 429 C ALA A 27 -6.697 10.312 -12.342 1.00 0.00 C ATOM 430 O ALA A 27 -6.490 9.663 -13.370 1.00 0.00 O ATOM 431 CB ALA A 27 -7.812 12.020 -13.799 1.00 0.00 C ATOM 0 H ALA A 27 -7.611 13.015 -10.853 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.535 11.298 -11.916 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.247 11.204 -14.376 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.494 12.870 -13.802 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.863 12.315 -14.246 1.00 0.00 H new ATOM 437 N ALA A 28 -6.197 9.972 -11.162 1.00 0.00 N ATOM 438 CA ALA A 28 -5.294 8.837 -11.008 1.00 0.00 C ATOM 439 C ALA A 28 -6.030 7.512 -11.180 1.00 0.00 C ATOM 440 O ALA A 28 -7.021 7.244 -10.497 1.00 0.00 O ATOM 441 CB ALA A 28 -4.612 8.891 -9.649 1.00 0.00 C ATOM 0 H ALA A 28 -6.402 10.467 -10.294 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.537 8.901 -11.790 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.940 8.039 -9.545 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.041 9.816 -9.565 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.366 8.857 -8.862 1.00 0.00 H new ATOM 447 N SER A 29 -5.543 6.695 -12.102 1.00 0.00 N ATOM 448 CA SER A 29 -6.116 5.378 -12.343 1.00 0.00 C ATOM 449 C SER A 29 -5.705 4.402 -11.234 1.00 0.00 C ATOM 450 O SER A 29 -4.785 4.690 -10.462 1.00 0.00 O ATOM 451 CB SER A 29 -5.669 4.870 -13.718 1.00 0.00 C ATOM 452 OG SER A 29 -6.107 5.748 -14.746 1.00 0.00 O ATOM 0 H SER A 29 -4.748 6.922 -12.699 1.00 0.00 H new ATOM 0 HA SER A 29 -7.204 5.451 -12.333 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.583 4.785 -13.744 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.071 3.872 -13.890 1.00 0.00 H new ATOM 0 HG SER A 29 -5.810 5.407 -15.616 1.00 0.00 H new ATOM 458 N PRO A 30 -6.396 3.248 -11.125 1.00 0.00 N ATOM 459 CA PRO A 30 -6.135 2.247 -10.080 1.00 0.00 C ATOM 460 C PRO A 30 -4.664 1.852 -9.967 1.00 0.00 C ATOM 461 O PRO A 30 -4.098 1.866 -8.872 1.00 0.00 O ATOM 462 CB PRO A 30 -6.973 1.048 -10.520 1.00 0.00 C ATOM 463 CG PRO A 30 -8.086 1.637 -11.309 1.00 0.00 C ATOM 464 CD PRO A 30 -7.506 2.831 -12.010 1.00 0.00 C ATOM 0 HA PRO A 30 -6.388 2.634 -9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.386 0.353 -11.121 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.348 0.490 -9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.481 0.917 -12.026 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.913 1.928 -10.661 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.149 2.576 -13.008 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.244 3.624 -12.128 1.00 0.00 H new ATOM 472 N GLU A 31 -4.054 1.501 -11.093 1.00 0.00 N ATOM 473 CA GLU A 31 -2.656 1.088 -11.111 1.00 0.00 C ATOM 474 C GLU A 31 -1.759 2.187 -10.552 1.00 0.00 C ATOM 475 O GLU A 31 -0.894 1.924 -9.718 1.00 0.00 O ATOM 476 CB GLU A 31 -2.198 0.726 -12.526 1.00 0.00 C ATOM 477 CG GLU A 31 -3.112 -0.249 -13.252 1.00 0.00 C ATOM 478 CD GLU A 31 -4.244 0.447 -13.983 1.00 0.00 C ATOM 479 OE1 GLU A 31 -5.262 0.769 -13.344 1.00 0.00 O ATOM 480 OE2 GLU A 31 -4.114 0.673 -15.204 1.00 0.00 O ATOM 0 H GLU A 31 -4.507 1.494 -12.007 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.574 0.202 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.121 1.640 -13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.198 0.296 -12.472 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.526 -0.828 -13.965 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.528 -0.955 -12.533 1.00 0.00 H new ATOM 487 N LEU A 32 -1.981 3.415 -11.010 1.00 0.00 N ATOM 488 CA LEU A 32 -1.223 4.563 -10.529 1.00 0.00 C ATOM 489 C LEU A 32 -1.437 4.753 -9.032 1.00 0.00 C ATOM 490 O LEU A 32 -0.482 4.918 -8.277 1.00 0.00 O ATOM 491 CB LEU A 32 -1.636 5.832 -11.283 1.00 0.00 C ATOM 492 CG LEU A 32 -0.942 7.116 -10.823 1.00 0.00 C ATOM 493 CD1 LEU A 32 0.564 6.997 -10.980 1.00 0.00 C ATOM 494 CD2 LEU A 32 -1.466 8.311 -11.601 1.00 0.00 C ATOM 0 H LEU A 32 -2.682 3.640 -11.716 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.165 4.375 -10.711 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.433 5.688 -12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.713 5.963 -11.180 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.165 7.267 -9.767 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.039 7.920 -10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.928 6.165 -10.378 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.808 6.821 -12.028 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.962 9.216 -11.261 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.274 8.166 -12.664 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.539 8.410 -11.437 1.00 0.00 H new ATOM 506 N THR A 33 -2.696 4.713 -8.619 1.00 0.00 N ATOM 507 CA THR A 33 -3.061 4.849 -7.216 1.00 0.00 C ATOM 508 C THR A 33 -2.328 3.825 -6.351 1.00 0.00 C ATOM 509 O THR A 33 -1.707 4.169 -5.342 1.00 0.00 O ATOM 510 CB THR A 33 -4.580 4.658 -7.041 1.00 0.00 C ATOM 511 OG1 THR A 33 -5.290 5.695 -7.729 1.00 0.00 O ATOM 512 CG2 THR A 33 -4.967 4.649 -5.572 1.00 0.00 C ATOM 0 H THR A 33 -3.491 4.586 -9.245 1.00 0.00 H new ATOM 0 HA THR A 33 -2.773 5.850 -6.896 1.00 0.00 H new ATOM 0 HB THR A 33 -4.850 3.693 -7.469 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.226 5.549 -8.696 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.045 4.513 -5.480 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.453 3.832 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.681 5.596 -5.115 1.00 0.00 H new ATOM 520 N LEU A 34 -2.389 2.573 -6.772 1.00 0.00 N ATOM 521 CA LEU A 34 -1.812 1.484 -6.011 1.00 0.00 C ATOM 522 C LEU A 34 -0.284 1.552 -6.049 1.00 0.00 C ATOM 523 O LEU A 34 0.386 1.202 -5.076 1.00 0.00 O ATOM 524 CB LEU A 34 -2.336 0.152 -6.558 1.00 0.00 C ATOM 525 CG LEU A 34 -2.002 -1.075 -5.720 1.00 0.00 C ATOM 526 CD1 LEU A 34 -3.162 -2.057 -5.727 1.00 0.00 C ATOM 527 CD2 LEU A 34 -0.751 -1.748 -6.252 1.00 0.00 C ATOM 0 H LEU A 34 -2.836 2.287 -7.643 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.110 1.568 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.419 0.220 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.934 0.007 -7.561 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.823 -0.753 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.905 -2.927 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.048 -1.576 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.365 -2.372 -6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.523 -2.624 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.914 -2.055 -7.285 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.084 -1.049 -6.209 1.00 0.00 H new ATOM 539 N MET A 35 0.264 2.025 -7.166 1.00 0.00 N ATOM 540 CA MET A 35 1.707 2.210 -7.286 1.00 0.00 C ATOM 541 C MET A 35 2.171 3.337 -6.365 1.00 0.00 C ATOM 542 O MET A 35 3.280 3.306 -5.828 1.00 0.00 O ATOM 543 CB MET A 35 2.099 2.511 -8.736 1.00 0.00 C ATOM 544 CG MET A 35 3.603 2.626 -8.949 1.00 0.00 C ATOM 545 SD MET A 35 4.053 2.876 -10.677 1.00 0.00 S ATOM 546 CE MET A 35 3.277 4.456 -11.007 1.00 0.00 C ATOM 0 H MET A 35 -0.267 2.286 -7.997 1.00 0.00 H new ATOM 0 HA MET A 35 2.199 1.284 -6.986 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.708 1.723 -9.380 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.624 3.442 -9.046 1.00 0.00 H new ATOM 0 HG2 MET A 35 3.986 3.456 -8.356 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.087 1.721 -8.581 1.00 0.00 H new ATOM 0 HE1 MET A 35 3.703 4.888 -11.912 1.00 0.00 H new ATOM 0 HE2 MET A 35 2.205 4.314 -11.142 1.00 0.00 H new ATOM 0 HE3 MET A 35 3.450 5.129 -10.167 1.00 0.00 H new ATOM 556 N ILE A 36 1.311 4.329 -6.186 1.00 0.00 N ATOM 557 CA ILE A 36 1.570 5.415 -5.252 1.00 0.00 C ATOM 558 C ILE A 36 1.692 4.877 -3.832 1.00 0.00 C ATOM 559 O ILE A 36 2.585 5.280 -3.087 1.00 0.00 O ATOM 560 CB ILE A 36 0.469 6.497 -5.338 1.00 0.00 C ATOM 561 CG1 ILE A 36 0.664 7.319 -6.616 1.00 0.00 C ATOM 562 CG2 ILE A 36 0.462 7.393 -4.101 1.00 0.00 C ATOM 563 CD1 ILE A 36 -0.388 8.380 -6.828 1.00 0.00 C ATOM 0 H ILE A 36 0.421 4.404 -6.679 1.00 0.00 H new ATOM 0 HA ILE A 36 2.516 5.882 -5.526 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.503 6.004 -5.374 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.644 7.795 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.664 6.645 -7.473 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.325 8.141 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.279 6.787 -3.214 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.427 7.892 -4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.181 8.918 -7.753 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.370 7.911 -6.893 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.375 9.078 -5.991 1.00 0.00 H new ATOM 575 N ALA A 37 0.816 3.942 -3.480 1.00 0.00 N ATOM 576 CA ALA A 37 0.884 3.279 -2.181 1.00 0.00 C ATOM 577 C ALA A 37 2.236 2.590 -2.000 1.00 0.00 C ATOM 578 O ALA A 37 2.827 2.629 -0.918 1.00 0.00 O ATOM 579 CB ALA A 37 -0.248 2.274 -2.035 1.00 0.00 C ATOM 0 H ALA A 37 0.050 3.626 -4.075 1.00 0.00 H new ATOM 0 HA ALA A 37 0.776 4.036 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.181 1.790 -1.061 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.205 2.789 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.170 1.522 -2.820 1.00 0.00 H new ATOM 585 N GLY A 38 2.723 1.971 -3.074 1.00 0.00 N ATOM 586 CA GLY A 38 4.030 1.340 -3.045 1.00 0.00 C ATOM 587 C GLY A 38 5.139 2.342 -2.814 1.00 0.00 C ATOM 588 O GLY A 38 6.064 2.089 -2.042 1.00 0.00 O ATOM 0 H GLY A 38 2.233 1.896 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.052 0.587 -2.257 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.202 0.820 -3.987 1.00 0.00 H new ATOM 592 N ASN A 39 5.038 3.488 -3.477 1.00 0.00 N ATOM 593 CA ASN A 39 6.002 4.566 -3.295 1.00 0.00 C ATOM 594 C ASN A 39 5.999 5.045 -1.850 1.00 0.00 C ATOM 595 O ASN A 39 7.056 5.289 -1.269 1.00 0.00 O ATOM 596 CB ASN A 39 5.698 5.738 -4.235 1.00 0.00 C ATOM 597 CG ASN A 39 6.245 5.534 -5.638 1.00 0.00 C ATOM 598 OD1 ASN A 39 7.377 5.915 -5.934 1.00 0.00 O ATOM 599 ND2 ASN A 39 5.449 4.938 -6.516 1.00 0.00 N ATOM 0 H ASN A 39 4.297 3.695 -4.147 1.00 0.00 H new ATOM 0 HA ASN A 39 6.991 4.176 -3.537 1.00 0.00 H new ATOM 0 HB2 ASN A 39 4.619 5.882 -4.290 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.121 6.651 -3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.770 4.783 -7.472 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.516 4.635 -6.235 1.00 0.00 H new ATOM 606 N ILE A 40 4.805 5.159 -1.273 1.00 0.00 N ATOM 607 CA ILE A 40 4.658 5.563 0.121 1.00 0.00 C ATOM 608 C ILE A 40 5.416 4.610 1.043 1.00 0.00 C ATOM 609 O ILE A 40 6.319 5.028 1.768 1.00 0.00 O ATOM 610 CB ILE A 40 3.173 5.609 0.548 1.00 0.00 C ATOM 611 CG1 ILE A 40 2.411 6.660 -0.264 1.00 0.00 C ATOM 612 CG2 ILE A 40 3.051 5.900 2.041 1.00 0.00 C ATOM 613 CD1 ILE A 40 0.926 6.705 0.035 1.00 0.00 C ATOM 0 H ILE A 40 3.923 4.976 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 40 5.076 6.566 0.208 1.00 0.00 H new ATOM 0 HB ILE A 40 2.731 4.632 0.350 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.842 7.641 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.552 6.458 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.998 5.928 2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.556 5.117 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.511 6.863 2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.455 7.473 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.480 5.736 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.774 6.938 1.089 1.00 0.00 H new ATOM 625 N ALA A 41 5.056 3.329 0.993 1.00 0.00 N ATOM 626 CA ALA A 41 5.675 2.316 1.842 1.00 0.00 C ATOM 627 C ALA A 41 7.193 2.293 1.674 1.00 0.00 C ATOM 628 O ALA A 41 7.931 2.278 2.659 1.00 0.00 O ATOM 629 CB ALA A 41 5.087 0.947 1.531 1.00 0.00 C ATOM 0 H ALA A 41 4.334 2.968 0.369 1.00 0.00 H new ATOM 0 HA ALA A 41 5.463 2.571 2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.554 0.197 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.013 0.962 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.272 0.700 0.486 1.00 0.00 H new ATOM 635 N THR A 42 7.648 2.317 0.426 1.00 0.00 N ATOM 636 CA THR A 42 9.074 2.255 0.126 1.00 0.00 C ATOM 637 C THR A 42 9.836 3.414 0.775 1.00 0.00 C ATOM 638 O THR A 42 10.815 3.194 1.483 1.00 0.00 O ATOM 639 CB THR A 42 9.323 2.261 -1.398 1.00 0.00 C ATOM 640 OG1 THR A 42 8.593 1.193 -2.015 1.00 0.00 O ATOM 641 CG2 THR A 42 10.805 2.108 -1.712 1.00 0.00 C ATOM 0 H THR A 42 7.048 2.379 -0.396 1.00 0.00 H new ATOM 0 HA THR A 42 9.446 1.319 0.543 1.00 0.00 H new ATOM 0 HB THR A 42 8.982 3.218 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.644 1.433 -2.067 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.951 2.116 -2.792 1.00 0.00 H new ATOM 0 HG22 THR A 42 11.359 2.934 -1.265 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.168 1.165 -1.304 1.00 0.00 H new ATOM 649 N ASN A 43 9.360 4.640 0.561 1.00 0.00 N ATOM 650 CA ASN A 43 10.030 5.829 1.097 1.00 0.00 C ATOM 651 C ASN A 43 10.036 5.826 2.621 1.00 0.00 C ATOM 652 O ASN A 43 10.971 6.336 3.250 1.00 0.00 O ATOM 653 CB ASN A 43 9.367 7.113 0.587 1.00 0.00 C ATOM 654 CG ASN A 43 9.807 7.485 -0.815 1.00 0.00 C ATOM 655 OD1 ASN A 43 10.790 8.203 -0.997 1.00 0.00 O ATOM 656 ND2 ASN A 43 9.080 7.010 -1.812 1.00 0.00 N ATOM 0 H ASN A 43 8.516 4.838 0.023 1.00 0.00 H new ATOM 0 HA ASN A 43 11.061 5.800 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.284 6.988 0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.602 7.932 1.266 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.327 7.236 -2.776 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.273 6.418 -1.617 1.00 0.00 H new ATOM 663 N VAL A 44 8.995 5.255 3.214 1.00 0.00 N ATOM 664 CA VAL A 44 8.939 5.108 4.660 1.00 0.00 C ATOM 665 C VAL A 44 9.972 4.086 5.116 1.00 0.00 C ATOM 666 O VAL A 44 10.729 4.337 6.051 1.00 0.00 O ATOM 667 CB VAL A 44 7.533 4.686 5.148 1.00 0.00 C ATOM 668 CG1 VAL A 44 7.525 4.423 6.648 1.00 0.00 C ATOM 669 CG2 VAL A 44 6.504 5.749 4.794 1.00 0.00 C ATOM 0 H VAL A 44 8.183 4.888 2.718 1.00 0.00 H new ATOM 0 HA VAL A 44 9.161 6.081 5.098 1.00 0.00 H new ATOM 0 HB VAL A 44 7.269 3.758 4.641 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.523 4.128 6.960 1.00 0.00 H new ATOM 0 HG12 VAL A 44 8.228 3.623 6.881 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.819 5.329 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 44 5.521 5.435 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.775 6.691 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.477 5.884 3.713 1.00 0.00 H new ATOM 679 N LEU A 45 10.018 2.950 4.426 1.00 0.00 N ATOM 680 CA LEU A 45 10.995 1.910 4.725 1.00 0.00 C ATOM 681 C LEU A 45 12.418 2.448 4.586 1.00 0.00 C ATOM 682 O LEU A 45 13.330 2.024 5.296 1.00 0.00 O ATOM 683 CB LEU A 45 10.801 0.704 3.803 1.00 0.00 C ATOM 684 CG LEU A 45 9.473 -0.039 3.969 1.00 0.00 C ATOM 685 CD1 LEU A 45 9.354 -1.148 2.936 1.00 0.00 C ATOM 686 CD2 LEU A 45 9.353 -0.605 5.374 1.00 0.00 C ATOM 0 H LEU A 45 9.389 2.727 3.655 1.00 0.00 H new ATOM 0 HA LEU A 45 10.841 1.592 5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.883 1.041 2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.616 0.001 3.975 1.00 0.00 H new ATOM 0 HG LEU A 45 8.658 0.668 3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.404 -1.667 3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 45 9.398 -0.719 1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.174 -1.854 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.403 -1.130 5.475 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.173 -1.300 5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.397 0.208 6.099 1.00 0.00 H new ATOM 698 N ASN A 46 12.590 3.387 3.667 1.00 0.00 N ATOM 699 CA ASN A 46 13.879 4.025 3.445 1.00 0.00 C ATOM 700 C ASN A 46 14.282 4.893 4.632 1.00 0.00 C ATOM 701 O ASN A 46 15.219 4.570 5.361 1.00 0.00 O ATOM 702 CB ASN A 46 13.848 4.893 2.177 1.00 0.00 C ATOM 703 CG ASN A 46 13.711 4.093 0.893 1.00 0.00 C ATOM 704 OD1 ASN A 46 13.084 4.543 -0.064 1.00 0.00 O ATOM 705 ND2 ASN A 46 14.316 2.917 0.851 1.00 0.00 N ATOM 0 H ASN A 46 11.845 3.726 3.058 1.00 0.00 H new ATOM 0 HA ASN A 46 14.613 3.229 3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.017 5.595 2.248 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.762 5.485 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.271 2.351 0.004 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.827 2.577 1.666 1.00 0.00 H new ATOM 712 N GLN A 47 13.550 5.985 4.842 1.00 0.00 N ATOM 713 CA GLN A 47 14.007 7.036 5.747 1.00 0.00 C ATOM 714 C GLN A 47 12.921 7.524 6.706 1.00 0.00 C ATOM 715 O GLN A 47 13.001 8.644 7.208 1.00 0.00 O ATOM 716 CB GLN A 47 14.520 8.213 4.919 1.00 0.00 C ATOM 717 CG GLN A 47 15.765 7.892 4.109 1.00 0.00 C ATOM 718 CD GLN A 47 16.129 8.978 3.115 1.00 0.00 C ATOM 719 OE1 GLN A 47 15.127 9.656 2.573 1.00 0.00 O flip ATOM 720 NE2 GLN A 47 17.304 9.197 2.827 1.00 0.00 N flip ATOM 0 H GLN A 47 12.647 6.164 4.403 1.00 0.00 H new ATOM 0 HA GLN A 47 14.799 6.610 6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.731 8.541 4.242 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.736 9.048 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.602 7.736 4.789 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.610 6.955 3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.047 8.653 3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.536 9.923 2.149 1.00 0.00 H new ATOM 729 N ARG A 48 11.918 6.702 6.973 1.00 0.00 N ATOM 730 CA ARG A 48 10.878 7.072 7.933 1.00 0.00 C ATOM 731 C ARG A 48 10.429 5.871 8.750 1.00 0.00 C ATOM 732 O ARG A 48 9.292 5.813 9.215 1.00 0.00 O ATOM 733 CB ARG A 48 9.683 7.722 7.228 1.00 0.00 C ATOM 734 CG ARG A 48 9.785 9.241 7.164 1.00 0.00 C ATOM 735 CD ARG A 48 8.602 9.874 6.446 1.00 0.00 C ATOM 736 NE ARG A 48 7.314 9.517 7.052 1.00 0.00 N ATOM 737 CZ ARG A 48 6.667 10.276 7.943 1.00 0.00 C ATOM 738 NH1 ARG A 48 7.243 11.361 8.448 1.00 0.00 N ATOM 739 NH2 ARG A 48 5.446 9.938 8.345 1.00 0.00 N ATOM 0 H ARG A 48 11.798 5.783 6.546 1.00 0.00 H new ATOM 0 HA ARG A 48 11.309 7.803 8.617 1.00 0.00 H new ATOM 0 HB2 ARG A 48 9.605 7.325 6.216 1.00 0.00 H new ATOM 0 HB3 ARG A 48 8.766 7.446 7.749 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.848 9.641 8.176 1.00 0.00 H new ATOM 0 HG3 ARG A 48 10.707 9.519 6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.715 10.958 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.607 9.561 5.402 1.00 0.00 H new ATOM 0 HE ARG A 48 6.885 8.634 6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 48 8.185 11.621 8.157 1.00 0.00 H new ATOM 0 HH12 ARG A 48 6.743 11.935 9.127 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.001 9.099 7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 48 4.954 10.518 9.025 1.00 0.00 H new ATOM 753 N VAL A 49 11.336 4.928 8.946 1.00 0.00 N ATOM 754 CA VAL A 49 11.055 3.758 9.759 1.00 0.00 C ATOM 755 C VAL A 49 12.347 3.252 10.396 1.00 0.00 C ATOM 756 O VAL A 49 13.445 3.552 9.916 1.00 0.00 O ATOM 757 CB VAL A 49 10.401 2.627 8.925 1.00 0.00 C ATOM 758 CG1 VAL A 49 11.437 1.888 8.099 1.00 0.00 C ATOM 759 CG2 VAL A 49 9.633 1.659 9.812 1.00 0.00 C ATOM 0 H VAL A 49 12.276 4.951 8.551 1.00 0.00 H new ATOM 0 HA VAL A 49 10.349 4.050 10.537 1.00 0.00 H new ATOM 0 HB VAL A 49 9.691 3.093 8.242 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.950 1.100 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.924 2.586 7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 49 12.182 1.446 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.186 0.878 9.197 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.314 1.208 10.533 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.847 2.197 10.342 1.00 0.00 H new ATOM 769 N ALA A 50 12.220 2.502 11.479 1.00 0.00 N ATOM 770 CA ALA A 50 13.375 1.922 12.139 1.00 0.00 C ATOM 771 C ALA A 50 13.906 0.741 11.344 1.00 0.00 C ATOM 772 O ALA A 50 13.129 -0.036 10.794 1.00 0.00 O ATOM 773 CB ALA A 50 13.014 1.485 13.547 1.00 0.00 C ATOM 0 H ALA A 50 11.327 2.281 11.919 1.00 0.00 H new ATOM 0 HA ALA A 50 14.155 2.681 12.196 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.890 1.052 14.029 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.674 2.348 14.120 1.00 0.00 H new ATOM 0 HB3 ALA A 50 12.218 0.741 13.504 1.00 0.00 H new ATOM 779 N ALA A 51 15.225 0.622 11.276 1.00 0.00 N ATOM 780 CA ALA A 51 15.870 -0.508 10.615 1.00 0.00 C ATOM 781 C ALA A 51 15.327 -1.837 11.137 1.00 0.00 C ATOM 782 O ALA A 51 15.047 -2.751 10.363 1.00 0.00 O ATOM 783 CB ALA A 51 17.373 -0.438 10.818 1.00 0.00 C ATOM 0 H ALA A 51 15.875 1.300 11.674 1.00 0.00 H new ATOM 0 HA ALA A 51 15.649 -0.451 9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 51 17.847 -1.285 10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.755 0.491 10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.598 -0.470 11.884 1.00 0.00 H new ATOM 789 N SER A 52 15.157 -1.923 12.448 1.00 0.00 N ATOM 790 CA SER A 52 14.650 -3.132 13.083 1.00 0.00 C ATOM 791 C SER A 52 13.170 -3.341 12.767 1.00 0.00 C ATOM 792 O SER A 52 12.664 -4.464 12.811 1.00 0.00 O ATOM 793 CB SER A 52 14.854 -3.035 14.592 1.00 0.00 C ATOM 794 OG SER A 52 16.179 -2.626 14.884 1.00 0.00 O ATOM 0 H SER A 52 15.364 -1.164 13.097 1.00 0.00 H new ATOM 0 HA SER A 52 15.201 -3.987 12.692 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.145 -2.324 15.017 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.654 -4.001 15.056 1.00 0.00 H new ATOM 0 HG SER A 52 16.296 -2.566 15.855 1.00 0.00 H new ATOM 800 N GLN A 53 12.481 -2.257 12.433 1.00 0.00 N ATOM 801 CA GLN A 53 11.053 -2.313 12.159 1.00 0.00 C ATOM 802 C GLN A 53 10.792 -2.644 10.694 1.00 0.00 C ATOM 803 O GLN A 53 9.743 -3.181 10.360 1.00 0.00 O ATOM 804 CB GLN A 53 10.385 -0.977 12.512 1.00 0.00 C ATOM 805 CG GLN A 53 8.861 -1.012 12.460 1.00 0.00 C ATOM 806 CD GLN A 53 8.228 -1.675 13.675 1.00 0.00 C ATOM 807 OE1 GLN A 53 8.943 -2.597 14.305 1.00 0.00 O flip ATOM 808 NE2 GLN A 53 7.104 -1.349 14.053 1.00 0.00 N flip ATOM 0 H GLN A 53 12.890 -1.327 12.346 1.00 0.00 H new ATOM 0 HA GLN A 53 10.625 -3.102 12.778 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.697 -0.680 13.513 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.744 -0.210 11.825 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.485 0.007 12.375 1.00 0.00 H new ATOM 0 HG3 GLN A 53 8.548 -1.544 11.561 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.582 -0.636 13.544 1.00 0.00 H new ATOM 0 HE22 GLN A 53 6.694 -1.792 14.875 1.00 0.00 H new ATOM 817 N ARG A 54 11.767 -2.339 9.836 1.00 0.00 N ATOM 818 CA ARG A 54 11.614 -2.454 8.381 1.00 0.00 C ATOM 819 C ARG A 54 10.971 -3.773 7.946 1.00 0.00 C ATOM 820 O ARG A 54 9.974 -3.769 7.226 1.00 0.00 O ATOM 821 CB ARG A 54 12.971 -2.274 7.690 1.00 0.00 C ATOM 822 CG ARG A 54 13.454 -0.831 7.690 1.00 0.00 C ATOM 823 CD ARG A 54 14.827 -0.682 7.056 1.00 0.00 C ATOM 824 NE ARG A 54 15.198 0.727 6.904 1.00 0.00 N ATOM 825 CZ ARG A 54 16.453 1.176 6.834 1.00 0.00 C ATOM 826 NH1 ARG A 54 17.474 0.330 6.923 1.00 0.00 N ATOM 827 NH2 ARG A 54 16.682 2.472 6.659 1.00 0.00 N ATOM 0 H ARG A 54 12.686 -2.005 10.128 1.00 0.00 H new ATOM 0 HA ARG A 54 10.934 -1.659 8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.712 -2.899 8.189 1.00 0.00 H new ATOM 0 HB3 ARG A 54 12.898 -2.626 6.661 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.738 -0.211 7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 54 13.488 -0.461 8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.570 -1.191 7.670 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.833 -1.168 6.081 1.00 0.00 H new ATOM 0 HE ARG A 54 14.445 1.413 6.848 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.300 -0.668 7.045 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.431 0.678 6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.900 3.122 6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.640 2.818 6.605 1.00 0.00 H new ATOM 841 N LYS A 55 11.522 -4.896 8.386 1.00 0.00 N ATOM 842 CA LYS A 55 11.001 -6.192 7.966 1.00 0.00 C ATOM 843 C LYS A 55 9.658 -6.495 8.632 1.00 0.00 C ATOM 844 O LYS A 55 8.743 -7.005 7.986 1.00 0.00 O ATOM 845 CB LYS A 55 12.012 -7.307 8.255 1.00 0.00 C ATOM 846 CG LYS A 55 11.524 -8.689 7.842 1.00 0.00 C ATOM 847 CD LYS A 55 12.647 -9.714 7.865 1.00 0.00 C ATOM 848 CE LYS A 55 13.682 -9.431 6.787 1.00 0.00 C ATOM 849 NZ LYS A 55 14.789 -10.423 6.808 1.00 0.00 N ATOM 0 H LYS A 55 12.317 -4.938 9.024 1.00 0.00 H new ATOM 0 HA LYS A 55 10.837 -6.148 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.943 -7.087 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.239 -7.314 9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.726 -9.008 8.513 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.097 -8.640 6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.128 -9.707 8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.233 -10.712 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.201 -9.445 5.809 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.089 -8.430 6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.473 -10.195 6.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.265 -10.393 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.404 -11.376 6.648 1.00 0.00 H new ATOM 863 N LEU A 56 9.536 -6.163 9.914 1.00 0.00 N ATOM 864 CA LEU A 56 8.300 -6.415 10.651 1.00 0.00 C ATOM 865 C LEU A 56 7.138 -5.622 10.073 1.00 0.00 C ATOM 866 O LEU A 56 6.059 -6.165 9.845 1.00 0.00 O ATOM 867 CB LEU A 56 8.458 -6.060 12.131 1.00 0.00 C ATOM 868 CG LEU A 56 8.582 -7.250 13.083 1.00 0.00 C ATOM 869 CD1 LEU A 56 8.470 -6.777 14.520 1.00 0.00 C ATOM 870 CD2 LEU A 56 7.516 -8.295 12.780 1.00 0.00 C ATOM 0 H LEU A 56 10.274 -5.721 10.463 1.00 0.00 H new ATOM 0 HA LEU A 56 8.087 -7.480 10.556 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.342 -5.433 12.244 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.601 -5.460 12.437 1.00 0.00 H new ATOM 0 HG LEU A 56 9.559 -7.712 12.939 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.559 -7.631 15.192 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.267 -6.064 14.731 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.503 -6.296 14.671 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.622 -9.133 13.469 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.527 -7.851 12.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.635 -8.649 11.756 1.00 0.00 H new ATOM 882 N ILE A 57 7.367 -4.341 9.829 1.00 0.00 N ATOM 883 CA ILE A 57 6.316 -3.452 9.362 1.00 0.00 C ATOM 884 C ILE A 57 5.926 -3.788 7.924 1.00 0.00 C ATOM 885 O ILE A 57 4.781 -3.588 7.520 1.00 0.00 O ATOM 886 CB ILE A 57 6.743 -1.966 9.492 1.00 0.00 C ATOM 887 CG1 ILE A 57 5.532 -1.041 9.363 1.00 0.00 C ATOM 888 CG2 ILE A 57 7.801 -1.603 8.457 1.00 0.00 C ATOM 889 CD1 ILE A 57 5.851 0.411 9.651 1.00 0.00 C ATOM 0 H ILE A 57 8.276 -3.893 9.947 1.00 0.00 H new ATOM 0 HA ILE A 57 5.441 -3.601 9.994 1.00 0.00 H new ATOM 0 HB ILE A 57 7.179 -1.832 10.482 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.127 -1.123 8.354 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.753 -1.377 10.047 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.080 -0.556 8.573 1.00 0.00 H new ATOM 0 HG22 ILE A 57 8.681 -2.231 8.600 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.401 -1.763 7.456 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.947 1.011 9.541 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.228 0.506 10.669 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.608 0.763 8.950 1.00 0.00 H new ATOM 901 N ALA A 58 6.877 -4.330 7.168 1.00 0.00 N ATOM 902 CA ALA A 58 6.614 -4.775 5.807 1.00 0.00 C ATOM 903 C ALA A 58 5.765 -6.040 5.810 1.00 0.00 C ATOM 904 O ALA A 58 4.787 -6.150 5.067 1.00 0.00 O ATOM 905 CB ALA A 58 7.918 -5.019 5.066 1.00 0.00 C ATOM 0 H ALA A 58 7.838 -4.471 7.478 1.00 0.00 H new ATOM 0 HA ALA A 58 6.062 -3.989 5.292 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.703 -5.351 4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.495 -4.095 5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.493 -5.786 5.584 1.00 0.00 H new ATOM 911 N GLU A 59 6.143 -6.995 6.656 1.00 0.00 N ATOM 912 CA GLU A 59 5.396 -8.241 6.796 1.00 0.00 C ATOM 913 C GLU A 59 3.999 -7.938 7.331 1.00 0.00 C ATOM 914 O GLU A 59 3.000 -8.446 6.819 1.00 0.00 O ATOM 915 CB GLU A 59 6.154 -9.194 7.732 1.00 0.00 C ATOM 916 CG GLU A 59 5.809 -10.667 7.555 1.00 0.00 C ATOM 917 CD GLU A 59 4.563 -11.097 8.303 1.00 0.00 C ATOM 918 OE1 GLU A 59 4.649 -11.303 9.533 1.00 0.00 O ATOM 919 OE2 GLU A 59 3.505 -11.261 7.663 1.00 0.00 O ATOM 0 H GLU A 59 6.965 -6.929 7.256 1.00 0.00 H new ATOM 0 HA GLU A 59 5.295 -8.726 5.825 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.224 -9.064 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.949 -8.908 8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.674 -10.874 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.651 -11.271 7.893 1.00 0.00 H new ATOM 926 N LYS A 60 3.949 -7.074 8.339 1.00 0.00 N ATOM 927 CA LYS A 60 2.693 -6.609 8.924 1.00 0.00 C ATOM 928 C LYS A 60 1.792 -6.010 7.847 1.00 0.00 C ATOM 929 O LYS A 60 0.601 -6.308 7.779 1.00 0.00 O ATOM 930 CB LYS A 60 2.986 -5.553 9.998 1.00 0.00 C ATOM 931 CG LYS A 60 1.773 -5.134 10.815 1.00 0.00 C ATOM 932 CD LYS A 60 2.086 -3.947 11.717 1.00 0.00 C ATOM 933 CE LYS A 60 2.256 -2.663 10.913 1.00 0.00 C ATOM 934 NZ LYS A 60 2.386 -1.465 11.789 1.00 0.00 N ATOM 0 H LYS A 60 4.780 -6.674 8.776 1.00 0.00 H new ATOM 0 HA LYS A 60 2.180 -7.458 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.748 -5.942 10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.407 -4.670 9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.954 -4.876 10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.435 -5.974 11.422 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.283 -3.819 12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.997 -4.148 12.281 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.140 -2.746 10.281 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.400 -2.535 10.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.500 -0.615 11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.532 -1.369 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.217 -1.573 12.404 1.00 0.00 H new ATOM 948 N PHE A 61 2.387 -5.167 7.010 1.00 0.00 N ATOM 949 CA PHE A 61 1.680 -4.525 5.910 1.00 0.00 C ATOM 950 C PHE A 61 1.099 -5.561 4.961 1.00 0.00 C ATOM 951 O PHE A 61 -0.095 -5.545 4.664 1.00 0.00 O ATOM 952 CB PHE A 61 2.641 -3.604 5.155 1.00 0.00 C ATOM 953 CG PHE A 61 2.051 -2.940 3.945 1.00 0.00 C ATOM 954 CD1 PHE A 61 1.310 -1.779 4.067 1.00 0.00 C ATOM 955 CD2 PHE A 61 2.244 -3.479 2.684 1.00 0.00 C ATOM 956 CE1 PHE A 61 0.776 -1.163 2.954 1.00 0.00 C ATOM 957 CE2 PHE A 61 1.713 -2.867 1.568 1.00 0.00 C ATOM 958 CZ PHE A 61 0.975 -1.708 1.702 1.00 0.00 C ATOM 0 H PHE A 61 3.372 -4.910 7.076 1.00 0.00 H new ATOM 0 HA PHE A 61 0.857 -3.939 6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.997 -2.833 5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.511 -4.183 4.847 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.147 -1.350 5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.816 -4.388 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.202 -0.254 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 61 1.874 -3.294 0.589 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.555 -1.229 0.830 1.00 0.00 H new ATOM 968 N ALA A 62 1.951 -6.462 4.495 1.00 0.00 N ATOM 969 CA ALA A 62 1.538 -7.487 3.553 1.00 0.00 C ATOM 970 C ALA A 62 0.458 -8.382 4.149 1.00 0.00 C ATOM 971 O ALA A 62 -0.527 -8.690 3.483 1.00 0.00 O ATOM 972 CB ALA A 62 2.736 -8.315 3.116 1.00 0.00 C ATOM 0 H ALA A 62 2.936 -6.502 4.756 1.00 0.00 H new ATOM 0 HA ALA A 62 1.115 -6.992 2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.412 -9.080 2.410 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.471 -7.667 2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.185 -8.792 3.987 1.00 0.00 H new ATOM 978 N GLN A 63 0.634 -8.785 5.407 1.00 0.00 N ATOM 979 CA GLN A 63 -0.340 -9.642 6.073 1.00 0.00 C ATOM 980 C GLN A 63 -1.688 -8.942 6.124 1.00 0.00 C ATOM 981 O GLN A 63 -2.713 -9.524 5.768 1.00 0.00 O ATOM 982 CB GLN A 63 0.126 -10.002 7.495 1.00 0.00 C ATOM 983 CG GLN A 63 -0.585 -11.201 8.120 1.00 0.00 C ATOM 984 CD GLN A 63 -1.810 -10.832 8.946 1.00 0.00 C ATOM 985 OE1 GLN A 63 -2.488 -9.840 8.685 1.00 0.00 O ATOM 986 NE2 GLN A 63 -2.101 -11.632 9.958 1.00 0.00 N ATOM 0 H GLN A 63 1.438 -8.532 5.981 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.435 -10.567 5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.197 -10.205 7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.019 -9.135 8.140 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.887 -11.886 7.327 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.120 -11.739 8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.518 -12.447 10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.908 -11.434 10.549 1.00 0.00 H new ATOM 995 N ALA A 64 -1.673 -7.682 6.549 1.00 0.00 N ATOM 996 CA ALA A 64 -2.891 -6.893 6.662 1.00 0.00 C ATOM 997 C ALA A 64 -3.540 -6.703 5.298 1.00 0.00 C ATOM 998 O ALA A 64 -4.765 -6.722 5.175 1.00 0.00 O ATOM 999 CB ALA A 64 -2.594 -5.545 7.300 1.00 0.00 C ATOM 0 H ALA A 64 -0.825 -7.185 6.822 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.589 -7.434 7.301 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.516 -4.968 7.377 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.177 -5.698 8.296 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.876 -5.002 6.685 1.00 0.00 H new ATOM 1005 N LEU A 65 -2.714 -6.536 4.275 1.00 0.00 N ATOM 1006 CA LEU A 65 -3.213 -6.355 2.923 1.00 0.00 C ATOM 1007 C LEU A 65 -3.878 -7.634 2.423 1.00 0.00 C ATOM 1008 O LEU A 65 -4.915 -7.585 1.766 1.00 0.00 O ATOM 1009 CB LEU A 65 -2.079 -5.943 1.982 1.00 0.00 C ATOM 1010 CG LEU A 65 -2.534 -5.430 0.615 1.00 0.00 C ATOM 1011 CD1 LEU A 65 -3.537 -4.307 0.787 1.00 0.00 C ATOM 1012 CD2 LEU A 65 -1.345 -4.950 -0.197 1.00 0.00 C ATOM 0 H LEU A 65 -1.697 -6.522 4.357 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.958 -5.559 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.487 -5.167 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.421 -6.799 1.832 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.010 -6.250 0.078 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.854 -3.949 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.403 -4.674 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.076 -3.489 1.340 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.688 -4.589 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.844 -4.141 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.648 -5.775 -0.343 1.00 0.00 H new ATOM 1024 N MET A 66 -3.292 -8.779 2.762 1.00 0.00 N ATOM 1025 CA MET A 66 -3.841 -10.068 2.350 1.00 0.00 C ATOM 1026 C MET A 66 -5.071 -10.418 3.176 1.00 0.00 C ATOM 1027 O MET A 66 -5.994 -11.064 2.687 1.00 0.00 O ATOM 1028 CB MET A 66 -2.797 -11.183 2.486 1.00 0.00 C ATOM 1029 CG MET A 66 -1.510 -10.917 1.728 1.00 0.00 C ATOM 1030 SD MET A 66 -1.775 -10.634 -0.030 1.00 0.00 S ATOM 1031 CE MET A 66 -0.133 -10.112 -0.513 1.00 0.00 C ATOM 0 H MET A 66 -2.440 -8.841 3.319 1.00 0.00 H new ATOM 0 HA MET A 66 -4.127 -9.983 1.302 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.563 -11.321 3.542 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.230 -12.118 2.130 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.014 -10.048 2.160 1.00 0.00 H new ATOM 0 HG3 MET A 66 -0.837 -11.765 1.857 1.00 0.00 H new ATOM 0 HE1 MET A 66 -0.120 -9.895 -1.581 1.00 0.00 H new ATOM 0 HE2 MET A 66 0.142 -9.216 0.043 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.580 -10.907 -0.295 1.00 0.00 H new ATOM 1041 N SER A 67 -5.091 -9.984 4.432 1.00 0.00 N ATOM 1042 CA SER A 67 -6.226 -10.248 5.307 1.00 0.00 C ATOM 1043 C SER A 67 -7.371 -9.276 5.006 1.00 0.00 C ATOM 1044 O SER A 67 -8.484 -9.428 5.511 1.00 0.00 O ATOM 1045 CB SER A 67 -5.796 -10.175 6.779 1.00 0.00 C ATOM 1046 OG SER A 67 -5.088 -8.978 7.056 1.00 0.00 O ATOM 0 H SER A 67 -4.337 -9.450 4.865 1.00 0.00 H new ATOM 0 HA SER A 67 -6.590 -11.258 5.118 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.676 -10.235 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.169 -11.034 7.019 1.00 0.00 H new ATOM 0 HG SER A 67 -4.162 -9.067 6.749 1.00 0.00 H new ATOM 1052 N SER A 68 -7.079 -8.269 4.191 1.00 0.00 N ATOM 1053 CA SER A 68 -8.106 -7.379 3.666 1.00 0.00 C ATOM 1054 C SER A 68 -8.279 -7.601 2.166 1.00 0.00 C ATOM 1055 O SER A 68 -8.992 -6.858 1.490 1.00 0.00 O ATOM 1056 CB SER A 68 -7.745 -5.923 3.950 1.00 0.00 C ATOM 1057 OG SER A 68 -7.692 -5.679 5.346 1.00 0.00 O ATOM 0 H SER A 68 -6.134 -8.048 3.878 1.00 0.00 H new ATOM 0 HA SER A 68 -9.050 -7.604 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.781 -5.688 3.499 1.00 0.00 H new ATOM 0 HB3 SER A 68 -8.481 -5.265 3.489 1.00 0.00 H new ATOM 0 HG SER A 68 -6.801 -5.908 5.684 1.00 0.00 H new ATOM 1063 N LEU A 69 -7.620 -8.632 1.655 1.00 0.00 N ATOM 1064 CA LEU A 69 -7.711 -8.982 0.247 1.00 0.00 C ATOM 1065 C LEU A 69 -8.970 -9.795 -0.004 1.00 0.00 C ATOM 1066 O LEU A 69 -9.003 -11.001 0.255 1.00 0.00 O ATOM 1067 CB LEU A 69 -6.477 -9.779 -0.195 1.00 0.00 C ATOM 1068 CG LEU A 69 -6.508 -10.294 -1.637 1.00 0.00 C ATOM 1069 CD1 LEU A 69 -6.422 -9.142 -2.626 1.00 0.00 C ATOM 1070 CD2 LEU A 69 -5.384 -11.289 -1.871 1.00 0.00 C ATOM 0 H LEU A 69 -7.013 -9.244 2.200 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.755 -8.062 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.596 -9.150 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.357 -10.631 0.474 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.458 -10.804 -1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.446 -9.533 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.267 -8.470 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.492 -8.596 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.421 -11.645 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.425 -10.804 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.498 -12.133 -1.191 1.00 0.00 H new ATOM 1440 N THR B 8 3.166 9.219 -16.906 1.00 0.00 N ATOM 1441 CA THR B 8 3.938 10.440 -16.987 1.00 0.00 C ATOM 1442 C THR B 8 4.628 10.675 -15.646 1.00 0.00 C ATOM 1443 O THR B 8 3.969 10.968 -14.644 1.00 0.00 O ATOM 1444 CB THR B 8 3.044 11.640 -17.350 1.00 0.00 C ATOM 1445 OG1 THR B 8 2.379 11.380 -18.593 1.00 0.00 O ATOM 1446 CG2 THR B 8 3.862 12.918 -17.468 1.00 0.00 C ATOM 0 HA THR B 8 4.684 10.339 -17.775 1.00 0.00 H new ATOM 0 HB THR B 8 2.311 11.776 -16.555 1.00 0.00 H new ATOM 0 HG1 THR B 8 2.303 10.412 -18.727 1.00 0.00 H new ATOM 0 HG21 THR B 8 3.204 13.748 -17.725 1.00 0.00 H new ATOM 0 HG22 THR B 8 4.353 13.125 -16.517 1.00 0.00 H new ATOM 0 HG23 THR B 8 4.615 12.797 -18.246 1.00 0.00 H new ATOM 1454 N ASP B 9 5.949 10.518 -15.629 1.00 0.00 N ATOM 1455 CA ASP B 9 6.726 10.565 -14.388 1.00 0.00 C ATOM 1456 C ASP B 9 6.500 11.865 -13.624 1.00 0.00 C ATOM 1457 O ASP B 9 6.334 11.849 -12.405 1.00 0.00 O ATOM 1458 CB ASP B 9 8.219 10.385 -14.681 1.00 0.00 C ATOM 1459 CG ASP B 9 9.066 10.358 -13.420 1.00 0.00 C ATOM 1460 OD1 ASP B 9 9.047 9.336 -12.707 1.00 0.00 O ATOM 1461 OD2 ASP B 9 9.770 11.357 -13.149 1.00 0.00 O ATOM 0 H ASP B 9 6.509 10.356 -16.466 1.00 0.00 H new ATOM 0 HA ASP B 9 6.380 9.744 -13.760 1.00 0.00 H new ATOM 0 HB2 ASP B 9 8.367 9.457 -15.233 1.00 0.00 H new ATOM 0 HB3 ASP B 9 8.559 11.196 -15.325 1.00 0.00 H new ATOM 1466 N GLU B 10 6.469 12.987 -14.341 1.00 0.00 N ATOM 1467 CA GLU B 10 6.259 14.287 -13.709 1.00 0.00 C ATOM 1468 C GLU B 10 4.916 14.326 -12.986 1.00 0.00 C ATOM 1469 O GLU B 10 4.799 14.913 -11.913 1.00 0.00 O ATOM 1470 CB GLU B 10 6.314 15.433 -14.724 1.00 0.00 C ATOM 1471 CG GLU B 10 7.463 15.348 -15.708 1.00 0.00 C ATOM 1472 CD GLU B 10 7.099 14.536 -16.928 1.00 0.00 C ATOM 1473 OE1 GLU B 10 6.477 15.102 -17.848 1.00 0.00 O ATOM 1474 OE2 GLU B 10 7.409 13.328 -16.963 1.00 0.00 O ATOM 0 H GLU B 10 6.586 13.022 -15.354 1.00 0.00 H new ATOM 0 HA GLU B 10 7.068 14.421 -12.991 1.00 0.00 H new ATOM 0 HB2 GLU B 10 5.377 15.454 -15.280 1.00 0.00 H new ATOM 0 HB3 GLU B 10 6.385 16.377 -14.183 1.00 0.00 H new ATOM 0 HG2 GLU B 10 7.754 16.353 -16.014 1.00 0.00 H new ATOM 0 HG3 GLU B 10 8.328 14.901 -15.219 1.00 0.00 H new ATOM 1481 N GLN B 11 3.907 13.693 -13.581 1.00 0.00 N ATOM 1482 CA GLN B 11 2.584 13.628 -12.976 1.00 0.00 C ATOM 1483 C GLN B 11 2.650 12.853 -11.664 1.00 0.00 C ATOM 1484 O GLN B 11 2.178 13.327 -10.631 1.00 0.00 O ATOM 1485 CB GLN B 11 1.586 12.969 -13.933 1.00 0.00 C ATOM 1486 CG GLN B 11 0.189 12.818 -13.353 1.00 0.00 C ATOM 1487 CD GLN B 11 -0.770 12.131 -14.303 1.00 0.00 C ATOM 1488 OE1 GLN B 11 -1.445 12.780 -15.101 1.00 0.00 O ATOM 1489 NE2 GLN B 11 -0.836 10.812 -14.223 1.00 0.00 N ATOM 0 H GLN B 11 3.983 13.219 -14.481 1.00 0.00 H new ATOM 0 HA GLN B 11 2.243 14.643 -12.772 1.00 0.00 H new ATOM 0 HB2 GLN B 11 1.528 13.560 -14.847 1.00 0.00 H new ATOM 0 HB3 GLN B 11 1.961 11.985 -14.214 1.00 0.00 H new ATOM 0 HG2 GLN B 11 0.245 12.248 -12.426 1.00 0.00 H new ATOM 0 HG3 GLN B 11 -0.202 13.803 -13.098 1.00 0.00 H new ATOM 0 HE21 GLN B 11 -0.258 10.313 -13.547 1.00 0.00 H new ATOM 0 HE22 GLN B 11 -1.464 10.295 -14.838 1.00 0.00 H new ATOM 1498 N VAL B 12 3.260 11.673 -11.715 1.00 0.00 N ATOM 1499 CA VAL B 12 3.433 10.840 -10.530 1.00 0.00 C ATOM 1500 C VAL B 12 4.213 11.597 -9.462 1.00 0.00 C ATOM 1501 O VAL B 12 3.835 11.612 -8.291 1.00 0.00 O ATOM 1502 CB VAL B 12 4.183 9.531 -10.859 1.00 0.00 C ATOM 1503 CG1 VAL B 12 4.304 8.654 -9.622 1.00 0.00 C ATOM 1504 CG2 VAL B 12 3.491 8.775 -11.980 1.00 0.00 C ATOM 0 H VAL B 12 3.645 11.270 -12.570 1.00 0.00 H new ATOM 0 HA VAL B 12 2.438 10.591 -10.162 1.00 0.00 H new ATOM 0 HB VAL B 12 5.186 9.795 -11.194 1.00 0.00 H new ATOM 0 HG11 VAL B 12 4.836 7.737 -9.877 1.00 0.00 H new ATOM 0 HG12 VAL B 12 4.854 9.190 -8.849 1.00 0.00 H new ATOM 0 HG13 VAL B 12 3.309 8.406 -9.253 1.00 0.00 H new ATOM 0 HG21 VAL B 12 4.039 7.857 -12.192 1.00 0.00 H new ATOM 0 HG22 VAL B 12 2.473 8.528 -11.678 1.00 0.00 H new ATOM 0 HG23 VAL B 12 3.463 9.396 -12.875 1.00 0.00 H new ATOM 1514 N GLU B 13 5.290 12.239 -9.898 1.00 0.00 N ATOM 1515 CA GLU B 13 6.166 13.001 -9.019 1.00 0.00 C ATOM 1516 C GLU B 13 5.382 14.049 -8.230 1.00 0.00 C ATOM 1517 O GLU B 13 5.572 14.202 -7.024 1.00 0.00 O ATOM 1518 CB GLU B 13 7.249 13.689 -9.854 1.00 0.00 C ATOM 1519 CG GLU B 13 8.388 14.271 -9.038 1.00 0.00 C ATOM 1520 CD GLU B 13 9.238 13.200 -8.388 1.00 0.00 C ATOM 1521 OE1 GLU B 13 10.134 12.652 -9.065 1.00 0.00 O ATOM 1522 OE2 GLU B 13 9.029 12.908 -7.194 1.00 0.00 O ATOM 0 H GLU B 13 5.581 12.245 -10.876 1.00 0.00 H new ATOM 0 HA GLU B 13 6.624 12.313 -8.308 1.00 0.00 H new ATOM 0 HB2 GLU B 13 7.656 12.969 -10.564 1.00 0.00 H new ATOM 0 HB3 GLU B 13 6.790 14.487 -10.437 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.015 14.887 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU B 13 7.982 14.926 -8.267 1.00 0.00 H new ATOM 1529 N LYS B 14 4.488 14.754 -8.916 1.00 0.00 N ATOM 1530 CA LYS B 14 3.721 15.827 -8.292 1.00 0.00 C ATOM 1531 C LYS B 14 2.637 15.278 -7.376 1.00 0.00 C ATOM 1532 O LYS B 14 2.393 15.827 -6.303 1.00 0.00 O ATOM 1533 CB LYS B 14 3.103 16.742 -9.347 1.00 0.00 C ATOM 1534 CG LYS B 14 4.127 17.512 -10.159 1.00 0.00 C ATOM 1535 CD LYS B 14 3.461 18.541 -11.051 1.00 0.00 C ATOM 1536 CE LYS B 14 4.483 19.284 -11.890 1.00 0.00 C ATOM 1537 NZ LYS B 14 3.853 20.325 -12.743 1.00 0.00 N ATOM 0 H LYS B 14 4.277 14.602 -9.902 1.00 0.00 H new ATOM 0 HA LYS B 14 4.415 16.410 -7.686 1.00 0.00 H new ATOM 0 HB2 LYS B 14 2.492 16.143 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS B 14 2.435 17.449 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.828 18.008 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.706 16.819 -10.769 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.740 18.048 -11.703 1.00 0.00 H new ATOM 0 HD3 LYS B 14 2.904 19.251 -10.439 1.00 0.00 H new ATOM 0 HE2 LYS B 14 5.220 19.749 -11.235 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.019 18.575 -12.520 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.587 20.808 -13.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.168 19.879 -13.386 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.363 21.017 -12.141 1.00 0.00 H new ATOM 1551 N ILE B 15 1.989 14.196 -7.791 1.00 0.00 N ATOM 1552 CA ILE B 15 0.972 13.570 -6.955 1.00 0.00 C ATOM 1553 C ILE B 15 1.605 13.071 -5.663 1.00 0.00 C ATOM 1554 O ILE B 15 1.088 13.314 -4.572 1.00 0.00 O ATOM 1555 CB ILE B 15 0.266 12.396 -7.665 1.00 0.00 C ATOM 1556 CG1 ILE B 15 -0.339 12.857 -8.993 1.00 0.00 C ATOM 1557 CG2 ILE B 15 -0.815 11.818 -6.763 1.00 0.00 C ATOM 1558 CD1 ILE B 15 -0.962 11.735 -9.797 1.00 0.00 C ATOM 0 H ILE B 15 2.146 13.739 -8.689 1.00 0.00 H new ATOM 0 HA ILE B 15 0.218 14.328 -6.742 1.00 0.00 H new ATOM 0 HB ILE B 15 1.003 11.621 -7.875 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -1.097 13.614 -8.794 1.00 0.00 H new ATOM 0 HG13 ILE B 15 0.438 13.333 -9.591 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -1.309 10.990 -7.271 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -0.364 11.459 -5.838 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -1.548 12.591 -6.532 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -1.370 12.136 -10.725 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -0.203 10.988 -10.027 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -1.762 11.273 -9.218 1.00 0.00 H new ATOM 1570 N LEU B 16 2.746 12.402 -5.793 1.00 0.00 N ATOM 1571 CA LEU B 16 3.491 11.932 -4.633 1.00 0.00 C ATOM 1572 C LEU B 16 3.894 13.105 -3.749 1.00 0.00 C ATOM 1573 O LEU B 16 3.827 13.021 -2.525 1.00 0.00 O ATOM 1574 CB LEU B 16 4.740 11.161 -5.064 1.00 0.00 C ATOM 1575 CG LEU B 16 4.481 9.838 -5.787 1.00 0.00 C ATOM 1576 CD1 LEU B 16 5.795 9.210 -6.226 1.00 0.00 C ATOM 1577 CD2 LEU B 16 3.703 8.883 -4.896 1.00 0.00 C ATOM 0 H LEU B 16 3.174 12.174 -6.690 1.00 0.00 H new ATOM 0 HA LEU B 16 2.843 11.262 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU B 16 5.334 11.801 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU B 16 5.344 10.959 -4.180 1.00 0.00 H new ATOM 0 HG LEU B 16 3.881 10.041 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU B 16 5.595 8.269 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU B 16 6.315 9.889 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU B 16 6.418 9.021 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU B 16 3.529 7.948 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU B 16 4.275 8.683 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU B 16 2.746 9.332 -4.629 1.00 0.00 H new ATOM 1589 N ALA B 17 4.296 14.202 -4.385 1.00 0.00 N ATOM 1590 CA ALA B 17 4.691 15.412 -3.675 1.00 0.00 C ATOM 1591 C ALA B 17 3.552 15.933 -2.806 1.00 0.00 C ATOM 1592 O ALA B 17 3.741 16.207 -1.619 1.00 0.00 O ATOM 1593 CB ALA B 17 5.133 16.482 -4.664 1.00 0.00 C ATOM 0 H ALA B 17 4.357 14.276 -5.401 1.00 0.00 H new ATOM 0 HA ALA B 17 5.529 15.165 -3.023 1.00 0.00 H new ATOM 0 HB1 ALA B 17 5.425 17.381 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA B 17 5.981 16.115 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA B 17 4.309 16.717 -5.338 1.00 0.00 H new ATOM 1599 N GLU B 18 2.368 16.051 -3.403 1.00 0.00 N ATOM 1600 CA GLU B 18 1.196 16.547 -2.694 1.00 0.00 C ATOM 1601 C GLU B 18 0.768 15.583 -1.592 1.00 0.00 C ATOM 1602 O GLU B 18 0.526 15.998 -0.459 1.00 0.00 O ATOM 1603 CB GLU B 18 0.040 16.784 -3.667 1.00 0.00 C ATOM 1604 CG GLU B 18 0.309 17.899 -4.664 1.00 0.00 C ATOM 1605 CD GLU B 18 -0.861 18.152 -5.592 1.00 0.00 C ATOM 1606 OE1 GLU B 18 -1.854 18.767 -5.152 1.00 0.00 O ATOM 1607 OE2 GLU B 18 -0.786 17.759 -6.773 1.00 0.00 O ATOM 0 H GLU B 18 2.197 15.808 -4.379 1.00 0.00 H new ATOM 0 HA GLU B 18 1.465 17.496 -2.229 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -0.162 15.861 -4.211 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -0.859 17.023 -3.100 1.00 0.00 H new ATOM 0 HG2 GLU B 18 0.542 18.816 -4.123 1.00 0.00 H new ATOM 0 HG3 GLU B 18 1.188 17.646 -5.256 1.00 0.00 H new ATOM 1614 N VAL B 19 0.693 14.296 -1.922 1.00 0.00 N ATOM 1615 CA VAL B 19 0.308 13.277 -0.948 1.00 0.00 C ATOM 1616 C VAL B 19 1.278 13.258 0.231 1.00 0.00 C ATOM 1617 O VAL B 19 0.859 13.256 1.390 1.00 0.00 O ATOM 1618 CB VAL B 19 0.241 11.870 -1.589 1.00 0.00 C ATOM 1619 CG1 VAL B 19 -0.017 10.801 -0.536 1.00 0.00 C ATOM 1620 CG2 VAL B 19 -0.839 11.823 -2.658 1.00 0.00 C ATOM 0 H VAL B 19 0.893 13.934 -2.854 1.00 0.00 H new ATOM 0 HA VAL B 19 -0.688 13.538 -0.589 1.00 0.00 H new ATOM 0 HB VAL B 19 1.206 11.667 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -0.059 9.822 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL B 19 0.788 10.812 0.198 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -0.965 11.003 -0.038 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -0.872 10.826 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -1.805 12.054 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -0.615 12.555 -3.434 1.00 0.00 H new ATOM 1630 N ALA B 20 2.573 13.272 -0.068 1.00 0.00 N ATOM 1631 CA ALA B 20 3.594 13.277 0.973 1.00 0.00 C ATOM 1632 C ALA B 20 3.522 14.557 1.796 1.00 0.00 C ATOM 1633 O ALA B 20 3.796 14.550 2.998 1.00 0.00 O ATOM 1634 CB ALA B 20 4.979 13.111 0.365 1.00 0.00 C ATOM 0 H ALA B 20 2.939 13.280 -1.020 1.00 0.00 H new ATOM 0 HA ALA B 20 3.405 12.434 1.637 1.00 0.00 H new ATOM 0 HB1 ALA B 20 5.727 13.117 1.157 1.00 0.00 H new ATOM 0 HB2 ALA B 20 5.029 12.165 -0.174 1.00 0.00 H new ATOM 0 HB3 ALA B 20 5.174 13.932 -0.325 1.00 0.00 H new ATOM 1640 N LEU B 21 3.139 15.656 1.150 1.00 0.00 N ATOM 1641 CA LEU B 21 2.993 16.921 1.848 1.00 0.00 C ATOM 1642 C LEU B 21 1.824 16.855 2.813 1.00 0.00 C ATOM 1643 O LEU B 21 1.911 17.357 3.926 1.00 0.00 O ATOM 1644 CB LEU B 21 2.785 18.086 0.882 1.00 0.00 C ATOM 1645 CG LEU B 21 2.775 19.458 1.555 1.00 0.00 C ATOM 1646 CD1 LEU B 21 4.189 19.905 1.890 1.00 0.00 C ATOM 1647 CD2 LEU B 21 2.068 20.480 0.683 1.00 0.00 C ATOM 0 H LEU B 21 2.927 15.692 0.153 1.00 0.00 H new ATOM 0 HA LEU B 21 3.919 17.096 2.396 1.00 0.00 H new ATOM 0 HB2 LEU B 21 3.575 18.067 0.131 1.00 0.00 H new ATOM 0 HB3 LEU B 21 1.841 17.944 0.356 1.00 0.00 H new ATOM 0 HG LEU B 21 2.221 19.376 2.490 1.00 0.00 H new ATOM 0 HD11 LEU B 21 4.157 20.884 2.368 1.00 0.00 H new ATOM 0 HD12 LEU B 21 4.647 19.185 2.568 1.00 0.00 H new ATOM 0 HD13 LEU B 21 4.777 19.967 0.975 1.00 0.00 H new ATOM 0 HD21 LEU B 21 2.073 21.449 1.182 1.00 0.00 H new ATOM 0 HD22 LEU B 21 2.584 20.562 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU B 21 1.039 20.164 0.514 1.00 0.00 H new ATOM 1659 N VAL B 22 0.732 16.229 2.384 1.00 0.00 N ATOM 1660 CA VAL B 22 -0.440 16.059 3.238 1.00 0.00 C ATOM 1661 C VAL B 22 -0.069 15.281 4.494 1.00 0.00 C ATOM 1662 O VAL B 22 -0.502 15.614 5.599 1.00 0.00 O ATOM 1663 CB VAL B 22 -1.585 15.326 2.499 1.00 0.00 C ATOM 1664 CG1 VAL B 22 -2.744 15.034 3.440 1.00 0.00 C ATOM 1665 CG2 VAL B 22 -2.063 16.145 1.310 1.00 0.00 C ATOM 0 H VAL B 22 0.634 15.831 1.450 1.00 0.00 H new ATOM 0 HA VAL B 22 -0.791 17.054 3.511 1.00 0.00 H new ATOM 0 HB VAL B 22 -1.195 14.375 2.135 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -3.535 14.519 2.895 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -2.398 14.404 4.259 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -3.131 15.970 3.842 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -2.868 15.614 0.802 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -2.428 17.112 1.657 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -1.236 16.297 0.617 1.00 0.00 H new ATOM 1675 N LEU B 23 0.754 14.256 4.313 1.00 0.00 N ATOM 1676 CA LEU B 23 1.237 13.448 5.423 1.00 0.00 C ATOM 1677 C LEU B 23 2.030 14.314 6.396 1.00 0.00 C ATOM 1678 O LEU B 23 1.801 14.279 7.605 1.00 0.00 O ATOM 1679 CB LEU B 23 2.110 12.307 4.896 1.00 0.00 C ATOM 1680 CG LEU B 23 1.458 11.433 3.821 1.00 0.00 C ATOM 1681 CD1 LEU B 23 2.433 10.382 3.320 1.00 0.00 C ATOM 1682 CD2 LEU B 23 0.191 10.780 4.359 1.00 0.00 C ATOM 0 H LEU B 23 1.103 13.964 3.400 1.00 0.00 H new ATOM 0 HA LEU B 23 0.383 13.023 5.951 1.00 0.00 H new ATOM 0 HB2 LEU B 23 3.028 12.731 4.490 1.00 0.00 H new ATOM 0 HB3 LEU B 23 2.396 11.672 5.734 1.00 0.00 H new ATOM 0 HG LEU B 23 1.184 12.070 2.980 1.00 0.00 H new ATOM 0 HD11 LEU B 23 1.950 9.772 2.557 1.00 0.00 H new ATOM 0 HD12 LEU B 23 3.308 10.872 2.893 1.00 0.00 H new ATOM 0 HD13 LEU B 23 2.742 9.747 4.150 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -0.259 10.163 3.581 1.00 0.00 H new ATOM 0 HD22 LEU B 23 0.439 10.157 5.218 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.516 11.552 4.663 1.00 0.00 H new ATOM 1694 N GLU B 24 2.944 15.106 5.852 1.00 0.00 N ATOM 1695 CA GLU B 24 3.763 16.008 6.652 1.00 0.00 C ATOM 1696 C GLU B 24 2.898 17.087 7.309 1.00 0.00 C ATOM 1697 O GLU B 24 2.981 17.323 8.513 1.00 0.00 O ATOM 1698 CB GLU B 24 4.824 16.659 5.766 1.00 0.00 C ATOM 1699 CG GLU B 24 5.823 17.514 6.526 1.00 0.00 C ATOM 1700 CD GLU B 24 6.698 18.335 5.605 1.00 0.00 C ATOM 1701 OE1 GLU B 24 7.725 17.814 5.126 1.00 0.00 O ATOM 1702 OE2 GLU B 24 6.365 19.510 5.363 1.00 0.00 O ATOM 0 H GLU B 24 3.138 15.142 4.851 1.00 0.00 H new ATOM 0 HA GLU B 24 4.250 15.432 7.439 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.363 15.878 5.229 1.00 0.00 H new ATOM 0 HB3 GLU B 24 4.328 17.277 5.017 1.00 0.00 H new ATOM 0 HG2 GLU B 24 5.287 18.180 7.202 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.452 16.872 7.143 1.00 0.00 H new ATOM 1709 N LYS B 25 2.061 17.724 6.497 1.00 0.00 N ATOM 1710 CA LYS B 25 1.175 18.795 6.942 1.00 0.00 C ATOM 1711 C LYS B 25 0.273 18.344 8.093 1.00 0.00 C ATOM 1712 O LYS B 25 -0.001 19.114 9.011 1.00 0.00 O ATOM 1713 CB LYS B 25 0.331 19.253 5.751 1.00 0.00 C ATOM 1714 CG LYS B 25 -0.530 20.478 6.002 1.00 0.00 C ATOM 1715 CD LYS B 25 -1.217 20.914 4.717 1.00 0.00 C ATOM 1716 CE LYS B 25 -2.055 22.168 4.906 1.00 0.00 C ATOM 1717 NZ LYS B 25 -2.624 22.647 3.615 1.00 0.00 N ATOM 0 H LYS B 25 1.977 17.510 5.503 1.00 0.00 H new ATOM 0 HA LYS B 25 1.780 19.621 7.317 1.00 0.00 H new ATOM 0 HB2 LYS B 25 0.997 19.462 4.913 1.00 0.00 H new ATOM 0 HB3 LYS B 25 -0.316 18.430 5.447 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -1.277 20.256 6.764 1.00 0.00 H new ATOM 0 HG3 LYS B 25 0.086 21.291 6.387 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -0.465 21.095 3.949 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -1.853 20.106 4.356 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.864 21.963 5.607 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -1.441 22.953 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -3.190 23.504 3.782 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -1.851 22.866 2.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -3.229 21.907 3.206 1.00 0.00 H new ATOM 1731 N HIS B 26 -0.176 17.094 8.048 1.00 0.00 N ATOM 1732 CA HIS B 26 -1.067 16.563 9.083 1.00 0.00 C ATOM 1733 C HIS B 26 -0.287 15.867 10.191 1.00 0.00 C ATOM 1734 O HIS B 26 -0.885 15.327 11.126 1.00 0.00 O ATOM 1735 CB HIS B 26 -2.083 15.584 8.484 1.00 0.00 C ATOM 1736 CG HIS B 26 -3.187 16.242 7.717 1.00 0.00 C ATOM 1737 ND1 HIS B 26 -4.511 16.150 8.083 1.00 0.00 N ATOM 1738 CD2 HIS B 26 -3.164 16.985 6.588 1.00 0.00 C ATOM 1739 CE1 HIS B 26 -5.253 16.807 7.211 1.00 0.00 C ATOM 1740 NE2 HIS B 26 -4.459 17.326 6.294 1.00 0.00 N ATOM 0 H HIS B 26 0.059 16.429 7.311 1.00 0.00 H new ATOM 0 HA HIS B 26 -1.597 17.413 9.512 1.00 0.00 H new ATOM 0 HB2 HIS B 26 -1.559 14.892 7.825 1.00 0.00 H new ATOM 0 HB3 HIS B 26 -2.518 14.991 9.288 1.00 0.00 H new ATOM 0 HD2 HIS B 26 -2.286 17.260 6.021 1.00 0.00 H new ATOM 0 HE1 HIS B 26 -6.328 16.903 7.243 1.00 0.00 H new ATOM 0 HE2 HIS B 26 -4.759 17.888 5.498 1.00 0.00 H new ATOM 1749 N ALA B 27 1.040 15.885 10.081 1.00 0.00 N ATOM 1750 CA ALA B 27 1.919 15.239 11.054 1.00 0.00 C ATOM 1751 C ALA B 27 1.578 13.756 11.203 1.00 0.00 C ATOM 1752 O ALA B 27 1.404 13.249 12.314 1.00 0.00 O ATOM 1753 CB ALA B 27 1.848 15.952 12.398 1.00 0.00 C ATOM 0 H ALA B 27 1.535 16.346 9.318 1.00 0.00 H new ATOM 0 HA ALA B 27 2.942 15.309 10.685 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.509 15.456 13.108 1.00 0.00 H new ATOM 0 HB2 ALA B 27 2.159 16.990 12.276 1.00 0.00 H new ATOM 0 HB3 ALA B 27 0.825 15.921 12.772 1.00 0.00 H new ATOM 1759 N ALA B 28 1.465 13.071 10.074 1.00 0.00 N ATOM 1760 CA ALA B 28 1.170 11.644 10.061 1.00 0.00 C ATOM 1761 C ALA B 28 2.390 10.834 10.483 1.00 0.00 C ATOM 1762 O ALA B 28 3.471 10.981 9.913 1.00 0.00 O ATOM 1763 CB ALA B 28 0.701 11.212 8.678 1.00 0.00 C ATOM 0 H ALA B 28 1.574 13.484 9.148 1.00 0.00 H new ATOM 0 HA ALA B 28 0.370 11.455 10.777 1.00 0.00 H new ATOM 0 HB1 ALA B 28 0.485 10.144 8.684 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.201 11.763 8.411 1.00 0.00 H new ATOM 0 HB3 ALA B 28 1.483 11.419 7.947 1.00 0.00 H new ATOM 1769 N SER B 29 2.210 9.991 11.488 1.00 0.00 N ATOM 1770 CA SER B 29 3.271 9.119 11.964 1.00 0.00 C ATOM 1771 C SER B 29 3.547 8.011 10.948 1.00 0.00 C ATOM 1772 O SER B 29 2.685 7.698 10.123 1.00 0.00 O ATOM 1773 CB SER B 29 2.859 8.518 13.309 1.00 0.00 C ATOM 1774 OG SER B 29 1.576 7.922 13.219 1.00 0.00 O ATOM 0 H SER B 29 1.330 9.893 11.994 1.00 0.00 H new ATOM 0 HA SER B 29 4.186 9.698 12.090 1.00 0.00 H new ATOM 0 HB2 SER B 29 3.591 7.772 13.619 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.852 9.295 14.073 1.00 0.00 H new ATOM 0 HG SER B 29 1.353 7.767 12.277 1.00 0.00 H new ATOM 1780 N PRO B 30 4.749 7.407 10.986 1.00 0.00 N ATOM 1781 CA PRO B 30 5.115 6.299 10.094 1.00 0.00 C ATOM 1782 C PRO B 30 4.078 5.181 10.110 1.00 0.00 C ATOM 1783 O PRO B 30 3.728 4.628 9.065 1.00 0.00 O ATOM 1784 CB PRO B 30 6.443 5.804 10.668 1.00 0.00 C ATOM 1785 CG PRO B 30 7.020 6.988 11.360 1.00 0.00 C ATOM 1786 CD PRO B 30 5.853 7.768 11.896 1.00 0.00 C ATOM 0 HA PRO B 30 5.179 6.616 9.053 1.00 0.00 H new ATOM 0 HB2 PRO B 30 6.291 4.976 11.360 1.00 0.00 H new ATOM 0 HB3 PRO B 30 7.105 5.444 9.881 1.00 0.00 H new ATOM 0 HG2 PRO B 30 7.687 6.682 12.166 1.00 0.00 H new ATOM 0 HG3 PRO B 30 7.610 7.593 10.671 1.00 0.00 H new ATOM 0 HD2 PRO B 30 5.628 7.496 12.927 1.00 0.00 H new ATOM 0 HD3 PRO B 30 6.048 8.840 11.885 1.00 0.00 H new ATOM 1794 N GLU B 31 3.582 4.870 11.305 1.00 0.00 N ATOM 1795 CA GLU B 31 2.540 3.863 11.472 1.00 0.00 C ATOM 1796 C GLU B 31 1.323 4.224 10.635 1.00 0.00 C ATOM 1797 O GLU B 31 0.821 3.406 9.861 1.00 0.00 O ATOM 1798 CB GLU B 31 2.108 3.739 12.942 1.00 0.00 C ATOM 1799 CG GLU B 31 3.223 3.394 13.918 1.00 0.00 C ATOM 1800 CD GLU B 31 4.188 4.538 14.131 1.00 0.00 C ATOM 1801 OE1 GLU B 31 3.787 5.559 14.726 1.00 0.00 O ATOM 1802 OE2 GLU B 31 5.347 4.429 13.682 1.00 0.00 O ATOM 0 H GLU B 31 3.888 5.304 12.176 1.00 0.00 H new ATOM 0 HA GLU B 31 2.953 2.909 11.144 1.00 0.00 H new ATOM 0 HB2 GLU B 31 1.655 4.681 13.251 1.00 0.00 H new ATOM 0 HB3 GLU B 31 1.335 2.974 13.014 1.00 0.00 H new ATOM 0 HG2 GLU B 31 2.787 3.109 14.875 1.00 0.00 H new ATOM 0 HG3 GLU B 31 3.770 2.527 13.547 1.00 0.00 H new ATOM 1809 N LEU B 32 0.872 5.463 10.785 1.00 0.00 N ATOM 1810 CA LEU B 32 -0.310 5.945 10.088 1.00 0.00 C ATOM 1811 C LEU B 32 -0.056 6.004 8.587 1.00 0.00 C ATOM 1812 O LEU B 32 -0.862 5.520 7.799 1.00 0.00 O ATOM 1813 CB LEU B 32 -0.698 7.330 10.609 1.00 0.00 C ATOM 1814 CG LEU B 32 -1.957 7.941 9.991 1.00 0.00 C ATOM 1815 CD1 LEU B 32 -3.179 7.096 10.315 1.00 0.00 C ATOM 1816 CD2 LEU B 32 -2.148 9.369 10.479 1.00 0.00 C ATOM 0 H LEU B 32 1.313 6.157 11.389 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.131 5.252 10.275 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -0.839 7.266 11.688 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.136 8.010 10.436 1.00 0.00 H new ATOM 0 HG LEU B 32 -1.834 7.960 8.908 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -4.063 7.548 9.866 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -3.043 6.091 9.915 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -3.308 7.042 11.396 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -3.048 9.790 10.030 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -2.248 9.372 11.564 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.285 9.970 10.193 1.00 0.00 H new ATOM 1828 N THR B 33 1.081 6.582 8.216 1.00 0.00 N ATOM 1829 CA THR B 33 1.475 6.721 6.819 1.00 0.00 C ATOM 1830 C THR B 33 1.420 5.385 6.082 1.00 0.00 C ATOM 1831 O THR B 33 0.792 5.265 5.028 1.00 0.00 O ATOM 1832 CB THR B 33 2.907 7.285 6.720 1.00 0.00 C ATOM 1833 OG1 THR B 33 2.978 8.558 7.371 1.00 0.00 O ATOM 1834 CG2 THR B 33 3.343 7.423 5.271 1.00 0.00 C ATOM 0 H THR B 33 1.756 6.968 8.876 1.00 0.00 H new ATOM 0 HA THR B 33 0.769 7.407 6.352 1.00 0.00 H new ATOM 0 HB THR B 33 3.581 6.586 7.215 1.00 0.00 H new ATOM 0 HG1 THR B 33 2.954 8.430 8.342 1.00 0.00 H new ATOM 0 HG21 THR B 33 4.356 7.823 5.232 1.00 0.00 H new ATOM 0 HG22 THR B 33 3.320 6.445 4.789 1.00 0.00 H new ATOM 0 HG23 THR B 33 2.666 8.100 4.750 1.00 0.00 H new ATOM 1842 N LEU B 34 2.066 4.384 6.656 1.00 0.00 N ATOM 1843 CA LEU B 34 2.190 3.094 6.011 1.00 0.00 C ATOM 1844 C LEU B 34 0.853 2.349 6.023 1.00 0.00 C ATOM 1845 O LEU B 34 0.543 1.596 5.101 1.00 0.00 O ATOM 1846 CB LEU B 34 3.295 2.286 6.698 1.00 0.00 C ATOM 1847 CG LEU B 34 3.770 1.049 5.937 1.00 0.00 C ATOM 1848 CD1 LEU B 34 5.286 0.936 6.000 1.00 0.00 C ATOM 1849 CD2 LEU B 34 3.125 -0.201 6.510 1.00 0.00 C ATOM 0 H LEU B 34 2.513 4.444 7.571 1.00 0.00 H new ATOM 0 HA LEU B 34 2.465 3.237 4.966 1.00 0.00 H new ATOM 0 HB2 LEU B 34 4.151 2.940 6.864 1.00 0.00 H new ATOM 0 HB3 LEU B 34 2.937 1.973 7.679 1.00 0.00 H new ATOM 0 HG LEU B 34 3.473 1.149 4.893 1.00 0.00 H new ATOM 0 HD11 LEU B 34 5.608 0.050 5.453 1.00 0.00 H new ATOM 0 HD12 LEU B 34 5.736 1.822 5.552 1.00 0.00 H new ATOM 0 HD13 LEU B 34 5.602 0.855 7.040 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.472 -1.075 5.959 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.398 -0.303 7.560 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.041 -0.124 6.423 1.00 0.00 H new ATOM 1861 N MET B 35 0.051 2.584 7.058 1.00 0.00 N ATOM 1862 CA MET B 35 -1.271 1.974 7.139 1.00 0.00 C ATOM 1863 C MET B 35 -2.209 2.604 6.111 1.00 0.00 C ATOM 1864 O MET B 35 -3.073 1.933 5.548 1.00 0.00 O ATOM 1865 CB MET B 35 -1.854 2.103 8.553 1.00 0.00 C ATOM 1866 CG MET B 35 -3.230 1.464 8.702 1.00 0.00 C ATOM 1867 SD MET B 35 -3.780 1.360 10.417 1.00 0.00 S ATOM 1868 CE MET B 35 -3.785 3.088 10.887 1.00 0.00 C ATOM 0 H MET B 35 0.291 3.187 7.845 1.00 0.00 H new ATOM 0 HA MET B 35 -1.170 0.912 6.915 1.00 0.00 H new ATOM 0 HB2 MET B 35 -1.169 1.642 9.264 1.00 0.00 H new ATOM 0 HB3 MET B 35 -1.922 3.159 8.815 1.00 0.00 H new ATOM 0 HG2 MET B 35 -3.956 2.040 8.128 1.00 0.00 H new ATOM 0 HG3 MET B 35 -3.207 0.462 8.273 1.00 0.00 H new ATOM 0 HE1 MET B 35 -4.301 3.204 11.840 1.00 0.00 H new ATOM 0 HE2 MET B 35 -2.759 3.442 10.984 1.00 0.00 H new ATOM 0 HE3 MET B 35 -4.299 3.671 10.123 1.00 0.00 H new ATOM 1878 N ILE B 36 -2.021 3.897 5.862 1.00 0.00 N ATOM 1879 CA ILE B 36 -2.769 4.597 4.828 1.00 0.00 C ATOM 1880 C ILE B 36 -2.496 3.971 3.464 1.00 0.00 C ATOM 1881 O ILE B 36 -3.421 3.734 2.687 1.00 0.00 O ATOM 1882 CB ILE B 36 -2.422 6.107 4.800 1.00 0.00 C ATOM 1883 CG1 ILE B 36 -3.029 6.808 6.020 1.00 0.00 C ATOM 1884 CG2 ILE B 36 -2.904 6.758 3.509 1.00 0.00 C ATOM 1885 CD1 ILE B 36 -2.713 8.286 6.092 1.00 0.00 C ATOM 0 H ILE B 36 -1.354 4.481 6.366 1.00 0.00 H new ATOM 0 HA ILE B 36 -3.829 4.501 5.061 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.338 6.211 4.838 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -4.111 6.677 6.002 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -2.664 6.323 6.925 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.647 7.817 3.518 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.425 6.275 2.657 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.985 6.648 3.428 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -3.176 8.714 6.981 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -1.633 8.425 6.142 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -3.102 8.785 5.205 1.00 0.00 H new ATOM 1897 N ALA B 37 -1.226 3.682 3.192 1.00 0.00 N ATOM 1898 CA ALA B 37 -0.842 3.023 1.949 1.00 0.00 C ATOM 1899 C ALA B 37 -1.576 1.693 1.799 1.00 0.00 C ATOM 1900 O ALA B 37 -2.038 1.340 0.712 1.00 0.00 O ATOM 1901 CB ALA B 37 0.666 2.814 1.905 1.00 0.00 C ATOM 0 H ALA B 37 -0.447 3.894 3.815 1.00 0.00 H new ATOM 0 HA ALA B 37 -1.125 3.664 1.114 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.938 2.321 0.972 1.00 0.00 H new ATOM 0 HB2 ALA B 37 1.169 3.779 1.966 1.00 0.00 H new ATOM 0 HB3 ALA B 37 0.972 2.192 2.746 1.00 0.00 H new ATOM 1907 N GLY B 38 -1.697 0.969 2.907 1.00 0.00 N ATOM 1908 CA GLY B 38 -2.418 -0.290 2.898 1.00 0.00 C ATOM 1909 C GLY B 38 -3.901 -0.104 2.641 1.00 0.00 C ATOM 1910 O GLY B 38 -4.519 -0.898 1.927 1.00 0.00 O ATOM 0 H GLY B 38 -1.308 1.233 3.812 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -1.998 -0.941 2.131 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -2.278 -0.793 3.855 1.00 0.00 H new ATOM 1914 N ASN B 39 -4.472 0.949 3.214 1.00 0.00 N ATOM 1915 CA ASN B 39 -5.889 1.246 3.029 1.00 0.00 C ATOM 1916 C ASN B 39 -6.155 1.610 1.571 1.00 0.00 C ATOM 1917 O ASN B 39 -7.143 1.169 0.984 1.00 0.00 O ATOM 1918 CB ASN B 39 -6.330 2.379 3.963 1.00 0.00 C ATOM 1919 CG ASN B 39 -7.842 2.473 4.115 1.00 0.00 C ATOM 1920 OD1 ASN B 39 -8.600 2.213 3.182 1.00 0.00 O ATOM 1921 ND2 ASN B 39 -8.290 2.831 5.308 1.00 0.00 N ATOM 0 H ASN B 39 -3.977 1.612 3.810 1.00 0.00 H new ATOM 0 HA ASN B 39 -6.472 0.360 3.280 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -5.881 2.228 4.945 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -5.950 3.326 3.580 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -9.294 2.899 5.477 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -7.632 3.039 6.059 1.00 0.00 H new ATOM 1928 N ILE B 40 -5.253 2.396 0.983 1.00 0.00 N ATOM 1929 CA ILE B 40 -5.338 2.724 -0.438 1.00 0.00 C ATOM 1930 C ILE B 40 -5.363 1.446 -1.272 1.00 0.00 C ATOM 1931 O ILE B 40 -6.259 1.262 -2.097 1.00 0.00 O ATOM 1932 CB ILE B 40 -4.172 3.651 -0.904 1.00 0.00 C ATOM 1933 CG1 ILE B 40 -4.579 5.128 -0.816 1.00 0.00 C ATOM 1934 CG2 ILE B 40 -3.728 3.325 -2.328 1.00 0.00 C ATOM 1935 CD1 ILE B 40 -4.888 5.606 0.581 1.00 0.00 C ATOM 0 H ILE B 40 -4.459 2.815 1.467 1.00 0.00 H new ATOM 0 HA ILE B 40 -6.267 3.275 -0.588 1.00 0.00 H new ATOM 0 HB ILE B 40 -3.332 3.471 -0.233 1.00 0.00 H new ATOM 0 HG12 ILE B 40 -3.775 5.739 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE B 40 -5.455 5.289 -1.444 1.00 0.00 H new ATOM 0 HG21 ILE B 40 -2.915 3.991 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE B 40 -3.385 2.292 -2.374 1.00 0.00 H new ATOM 0 HG23 ILE B 40 -4.567 3.459 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE B 40 -5.166 6.659 0.552 1.00 0.00 H new ATOM 0 HD12 ILE B 40 -5.713 5.024 0.991 1.00 0.00 H new ATOM 0 HD13 ILE B 40 -4.008 5.481 1.211 1.00 0.00 H new ATOM 1947 N ALA B 41 -4.407 0.550 -1.028 1.00 0.00 N ATOM 1948 CA ALA B 41 -4.336 -0.706 -1.759 1.00 0.00 C ATOM 1949 C ALA B 41 -5.616 -1.513 -1.572 1.00 0.00 C ATOM 1950 O ALA B 41 -6.164 -2.046 -2.532 1.00 0.00 O ATOM 1951 CB ALA B 41 -3.121 -1.507 -1.323 1.00 0.00 C ATOM 0 H ALA B 41 -3.674 0.674 -0.330 1.00 0.00 H new ATOM 0 HA ALA B 41 -4.233 -0.481 -2.821 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -3.084 -2.443 -1.880 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -2.216 -0.932 -1.519 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -3.190 -1.722 -0.257 1.00 0.00 H new ATOM 1957 N THR B 42 -6.098 -1.570 -0.334 1.00 0.00 N ATOM 1958 CA THR B 42 -7.333 -2.283 -0.019 1.00 0.00 C ATOM 1959 C THR B 42 -8.519 -1.683 -0.782 1.00 0.00 C ATOM 1960 O THR B 42 -9.336 -2.403 -1.360 1.00 0.00 O ATOM 1961 CB THR B 42 -7.624 -2.244 1.499 1.00 0.00 C ATOM 1962 OG1 THR B 42 -6.496 -2.748 2.233 1.00 0.00 O ATOM 1963 CG2 THR B 42 -8.859 -3.067 1.840 1.00 0.00 C ATOM 0 H THR B 42 -5.651 -1.130 0.470 1.00 0.00 H new ATOM 0 HA THR B 42 -7.200 -3.320 -0.326 1.00 0.00 H new ATOM 0 HB THR B 42 -7.808 -1.207 1.779 1.00 0.00 H new ATOM 0 HG1 THR B 42 -5.782 -2.077 2.237 1.00 0.00 H new ATOM 0 HG21 THR B 42 -9.041 -3.022 2.914 1.00 0.00 H new ATOM 0 HG22 THR B 42 -9.722 -2.665 1.309 1.00 0.00 H new ATOM 0 HG23 THR B 42 -8.699 -4.103 1.542 1.00 0.00 H new ATOM 1971 N ASN B 43 -8.594 -0.359 -0.793 1.00 0.00 N ATOM 1972 CA ASN B 43 -9.674 0.344 -1.473 1.00 0.00 C ATOM 1973 C ASN B 43 -9.579 0.121 -2.979 1.00 0.00 C ATOM 1974 O ASN B 43 -10.593 0.014 -3.671 1.00 0.00 O ATOM 1975 CB ASN B 43 -9.621 1.840 -1.149 1.00 0.00 C ATOM 1976 CG ASN B 43 -10.919 2.553 -1.468 1.00 0.00 C ATOM 1977 OD1 ASN B 43 -11.825 2.604 -0.640 1.00 0.00 O ATOM 1978 ND2 ASN B 43 -11.014 3.123 -2.660 1.00 0.00 N ATOM 0 H ASN B 43 -7.917 0.252 -0.337 1.00 0.00 H new ATOM 0 HA ASN B 43 -10.627 -0.052 -1.122 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -9.390 1.971 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -8.810 2.301 -1.712 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -11.862 3.627 -2.918 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -10.239 3.058 -3.320 1.00 0.00 H new ATOM 1985 N VAL B 44 -8.352 0.039 -3.478 1.00 0.00 N ATOM 1986 CA VAL B 44 -8.113 -0.295 -4.874 1.00 0.00 C ATOM 1987 C VAL B 44 -8.573 -1.723 -5.155 1.00 0.00 C ATOM 1988 O VAL B 44 -9.267 -1.979 -6.139 1.00 0.00 O ATOM 1989 CB VAL B 44 -6.622 -0.142 -5.254 1.00 0.00 C ATOM 1990 CG1 VAL B 44 -6.366 -0.638 -6.670 1.00 0.00 C ATOM 1991 CG2 VAL B 44 -6.184 1.307 -5.116 1.00 0.00 C ATOM 0 H VAL B 44 -7.505 0.200 -2.933 1.00 0.00 H new ATOM 0 HA VAL B 44 -8.687 0.403 -5.483 1.00 0.00 H new ATOM 0 HB VAL B 44 -6.035 -0.753 -4.568 1.00 0.00 H new ATOM 0 HG11 VAL B 44 -5.310 -0.519 -6.912 1.00 0.00 H new ATOM 0 HG12 VAL B 44 -6.638 -1.691 -6.741 1.00 0.00 H new ATOM 0 HG13 VAL B 44 -6.966 -0.060 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL B 44 -5.132 1.397 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL B 44 -6.784 1.933 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL B 44 -6.322 1.632 -4.085 1.00 0.00 H new ATOM 2001 N LEU B 45 -8.212 -2.641 -4.267 1.00 0.00 N ATOM 2002 CA LEU B 45 -8.594 -4.040 -4.413 1.00 0.00 C ATOM 2003 C LEU B 45 -10.112 -4.205 -4.386 1.00 0.00 C ATOM 2004 O LEU B 45 -10.641 -5.202 -4.871 1.00 0.00 O ATOM 2005 CB LEU B 45 -7.956 -4.891 -3.310 1.00 0.00 C ATOM 2006 CG LEU B 45 -6.426 -4.910 -3.298 1.00 0.00 C ATOM 2007 CD1 LEU B 45 -5.907 -5.638 -2.067 1.00 0.00 C ATOM 2008 CD2 LEU B 45 -5.890 -5.558 -4.568 1.00 0.00 C ATOM 0 H LEU B 45 -7.654 -2.441 -3.437 1.00 0.00 H new ATOM 0 HA LEU B 45 -8.229 -4.383 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -8.306 -4.525 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -8.314 -5.915 -3.412 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.071 -3.880 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.817 -5.640 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -6.260 -5.131 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.272 -6.665 -2.071 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.800 -5.563 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -6.256 -6.583 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -6.230 -4.993 -5.436 1.00 0.00 H new ATOM 2020 N ASN B 46 -10.812 -3.232 -3.820 1.00 0.00 N ATOM 2021 CA ASN B 46 -12.268 -3.300 -3.744 1.00 0.00 C ATOM 2022 C ASN B 46 -12.956 -2.528 -4.874 1.00 0.00 C ATOM 2023 O ASN B 46 -13.739 -3.104 -5.632 1.00 0.00 O ATOM 2024 CB ASN B 46 -12.765 -2.791 -2.387 1.00 0.00 C ATOM 2025 CG ASN B 46 -12.661 -3.842 -1.293 1.00 0.00 C ATOM 2026 OD1 ASN B 46 -13.597 -4.607 -1.065 1.00 0.00 O ATOM 2027 ND2 ASN B 46 -11.526 -3.888 -0.607 1.00 0.00 N ATOM 0 H ASN B 46 -10.402 -2.393 -3.410 1.00 0.00 H new ATOM 0 HA ASN B 46 -12.535 -4.351 -3.858 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -12.186 -1.913 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.803 -2.472 -2.481 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -11.408 -4.574 0.138 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -10.772 -3.237 -0.825 1.00 0.00 H new ATOM 2034 N GLN B 47 -12.642 -1.241 -5.020 1.00 0.00 N ATOM 2035 CA GLN B 47 -13.450 -0.359 -5.860 1.00 0.00 C ATOM 2036 C GLN B 47 -12.711 0.049 -7.124 1.00 0.00 C ATOM 2037 O GLN B 47 -13.149 0.940 -7.847 1.00 0.00 O ATOM 2038 CB GLN B 47 -13.830 0.902 -5.080 1.00 0.00 C ATOM 2039 CG GLN B 47 -14.672 0.643 -3.843 1.00 0.00 C ATOM 2040 CD GLN B 47 -14.842 1.887 -2.991 1.00 0.00 C ATOM 2041 OE1 GLN B 47 -14.825 3.010 -3.497 1.00 0.00 O ATOM 2042 NE2 GLN B 47 -15.005 1.699 -1.691 1.00 0.00 N ATOM 0 H GLN B 47 -11.843 -0.790 -4.573 1.00 0.00 H new ATOM 0 HA GLN B 47 -14.345 -0.912 -6.146 1.00 0.00 H new ATOM 0 HB2 GLN B 47 -12.918 1.419 -4.782 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -14.376 1.574 -5.742 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -15.653 0.275 -4.144 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -14.206 -0.142 -3.247 1.00 0.00 H new ATOM 0 HE21 GLN B 47 -15.013 0.753 -1.310 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -15.122 2.500 -1.071 1.00 0.00 H new ATOM 2051 N ARG B 48 -11.590 -0.591 -7.385 1.00 0.00 N ATOM 2052 CA ARG B 48 -10.740 -0.193 -8.495 1.00 0.00 C ATOM 2053 C ARG B 48 -10.381 -1.380 -9.383 1.00 0.00 C ATOM 2054 O ARG B 48 -10.539 -1.329 -10.602 1.00 0.00 O ATOM 2055 CB ARG B 48 -9.459 0.446 -7.958 1.00 0.00 C ATOM 2056 CG ARG B 48 -9.446 1.967 -7.935 1.00 0.00 C ATOM 2057 CD ARG B 48 -10.563 2.572 -7.103 1.00 0.00 C ATOM 2058 NE ARG B 48 -10.411 4.025 -7.002 1.00 0.00 N ATOM 2059 CZ ARG B 48 -11.415 4.890 -6.858 1.00 0.00 C ATOM 2060 NH1 ARG B 48 -12.674 4.462 -6.819 1.00 0.00 N ATOM 2061 NH2 ARG B 48 -11.154 6.188 -6.766 1.00 0.00 N ATOM 0 H ARG B 48 -11.245 -1.386 -6.848 1.00 0.00 H new ATOM 0 HA ARG B 48 -11.294 0.526 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG B 48 -9.290 0.083 -6.944 1.00 0.00 H new ATOM 0 HB3 ARG B 48 -8.621 0.102 -8.564 1.00 0.00 H new ATOM 0 HG2 ARG B 48 -8.487 2.308 -7.544 1.00 0.00 H new ATOM 0 HG3 ARG B 48 -9.524 2.338 -8.957 1.00 0.00 H new ATOM 0 HD2 ARG B 48 -11.527 2.334 -7.553 1.00 0.00 H new ATOM 0 HD3 ARG B 48 -10.559 2.132 -6.106 1.00 0.00 H new ATOM 0 HE ARG B 48 -9.465 4.404 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG B 48 -12.877 3.466 -6.900 1.00 0.00 H new ATOM 0 HH12 ARG B 48 -13.437 5.130 -6.709 1.00 0.00 H new ATOM 0 HH21 ARG B 48 -10.190 6.518 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG B 48 -11.918 6.855 -6.656 1.00 0.00 H new ATOM 2075 N VAL B 49 -9.895 -2.443 -8.760 1.00 0.00 N ATOM 2076 CA VAL B 49 -9.366 -3.586 -9.491 1.00 0.00 C ATOM 2077 C VAL B 49 -10.474 -4.577 -9.852 1.00 0.00 C ATOM 2078 O VAL B 49 -11.545 -4.584 -9.237 1.00 0.00 O ATOM 2079 CB VAL B 49 -8.270 -4.303 -8.666 1.00 0.00 C ATOM 2080 CG1 VAL B 49 -8.876 -5.173 -7.582 1.00 0.00 C ATOM 2081 CG2 VAL B 49 -7.360 -5.120 -9.560 1.00 0.00 C ATOM 0 H VAL B 49 -9.856 -2.538 -7.745 1.00 0.00 H new ATOM 0 HA VAL B 49 -8.927 -3.209 -10.415 1.00 0.00 H new ATOM 0 HB VAL B 49 -7.669 -3.533 -8.182 1.00 0.00 H new ATOM 0 HG11 VAL B 49 -8.080 -5.662 -7.021 1.00 0.00 H new ATOM 0 HG12 VAL B 49 -9.468 -4.554 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL B 49 -9.516 -5.928 -8.037 1.00 0.00 H new ATOM 0 HG21 VAL B 49 -6.600 -5.612 -8.953 1.00 0.00 H new ATOM 0 HG22 VAL B 49 -7.947 -5.872 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL B 49 -6.877 -4.464 -10.284 1.00 0.00 H new ATOM 2091 N ALA B 50 -10.209 -5.399 -10.861 1.00 0.00 N ATOM 2092 CA ALA B 50 -11.128 -6.453 -11.264 1.00 0.00 C ATOM 2093 C ALA B 50 -10.990 -7.660 -10.342 1.00 0.00 C ATOM 2094 O ALA B 50 -9.938 -7.865 -9.735 1.00 0.00 O ATOM 2095 CB ALA B 50 -10.868 -6.854 -12.710 1.00 0.00 C ATOM 0 H ALA B 50 -9.356 -5.353 -11.419 1.00 0.00 H new ATOM 0 HA ALA B 50 -12.148 -6.076 -11.186 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.562 -7.643 -12.999 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -11.011 -5.990 -13.359 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.845 -7.217 -12.809 1.00 0.00 H new ATOM 2101 N ALA B 51 -12.049 -8.455 -10.243 1.00 0.00 N ATOM 2102 CA ALA B 51 -12.063 -9.633 -9.377 1.00 0.00 C ATOM 2103 C ALA B 51 -10.950 -10.615 -9.738 1.00 0.00 C ATOM 2104 O ALA B 51 -10.264 -11.135 -8.861 1.00 0.00 O ATOM 2105 CB ALA B 51 -13.416 -10.324 -9.450 1.00 0.00 C ATOM 0 H ALA B 51 -12.918 -8.305 -10.756 1.00 0.00 H new ATOM 0 HA ALA B 51 -11.887 -9.294 -8.356 1.00 0.00 H new ATOM 0 HB1 ALA B 51 -13.413 -11.199 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA B 51 -14.195 -9.634 -9.125 1.00 0.00 H new ATOM 0 HB3 ALA B 51 -13.611 -10.634 -10.476 1.00 0.00 H new ATOM 2111 N SER B 52 -10.768 -10.852 -11.032 1.00 0.00 N ATOM 2112 CA SER B 52 -9.760 -11.795 -11.508 1.00 0.00 C ATOM 2113 C SER B 52 -8.355 -11.205 -11.388 1.00 0.00 C ATOM 2114 O SER B 52 -7.355 -11.909 -11.521 1.00 0.00 O ATOM 2115 CB SER B 52 -10.047 -12.163 -12.964 1.00 0.00 C ATOM 2116 OG SER B 52 -11.421 -12.476 -13.147 1.00 0.00 O ATOM 0 H SER B 52 -11.306 -10.403 -11.773 1.00 0.00 H new ATOM 0 HA SER B 52 -9.806 -12.690 -10.888 1.00 0.00 H new ATOM 0 HB2 SER B 52 -9.769 -11.334 -13.614 1.00 0.00 H new ATOM 0 HB3 SER B 52 -9.434 -13.016 -13.255 1.00 0.00 H new ATOM 0 HG SER B 52 -11.582 -12.707 -14.086 1.00 0.00 H new ATOM 2122 N GLN B 53 -8.290 -9.909 -11.122 1.00 0.00 N ATOM 2123 CA GLN B 53 -7.020 -9.201 -11.039 1.00 0.00 C ATOM 2124 C GLN B 53 -6.609 -9.024 -9.577 1.00 0.00 C ATOM 2125 O GLN B 53 -5.517 -8.554 -9.280 1.00 0.00 O ATOM 2126 CB GLN B 53 -7.157 -7.831 -11.717 1.00 0.00 C ATOM 2127 CG GLN B 53 -5.835 -7.155 -12.048 1.00 0.00 C ATOM 2128 CD GLN B 53 -4.965 -7.985 -12.965 1.00 0.00 C ATOM 2129 OE1 GLN B 53 -4.130 -8.762 -12.512 1.00 0.00 O ATOM 2130 NE2 GLN B 53 -5.162 -7.830 -14.263 1.00 0.00 N ATOM 0 H GLN B 53 -9.108 -9.322 -10.959 1.00 0.00 H new ATOM 0 HA GLN B 53 -6.250 -9.782 -11.547 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -7.729 -7.951 -12.637 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -7.734 -7.174 -11.066 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -6.033 -6.191 -12.517 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -5.293 -6.955 -11.124 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -5.867 -7.173 -14.597 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -4.609 -8.368 -14.931 1.00 0.00 H new ATOM 2139 N ARG B 54 -7.492 -9.448 -8.680 1.00 0.00 N ATOM 2140 CA ARG B 54 -7.368 -9.172 -7.251 1.00 0.00 C ATOM 2141 C ARG B 54 -6.023 -9.630 -6.677 1.00 0.00 C ATOM 2142 O ARG B 54 -5.226 -8.819 -6.205 1.00 0.00 O ATOM 2143 CB ARG B 54 -8.498 -9.882 -6.503 1.00 0.00 C ATOM 2144 CG ARG B 54 -8.931 -9.188 -5.226 1.00 0.00 C ATOM 2145 CD ARG B 54 -10.020 -8.163 -5.498 1.00 0.00 C ATOM 2146 NE ARG B 54 -11.256 -8.795 -5.973 1.00 0.00 N ATOM 2147 CZ ARG B 54 -12.449 -8.192 -5.993 1.00 0.00 C ATOM 2148 NH1 ARG B 54 -12.570 -6.924 -5.624 1.00 0.00 N ATOM 2149 NH2 ARG B 54 -13.527 -8.858 -6.385 1.00 0.00 N ATOM 0 H ARG B 54 -8.318 -9.995 -8.923 1.00 0.00 H new ATOM 0 HA ARG B 54 -7.430 -8.092 -7.121 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -9.359 -9.969 -7.166 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -8.178 -10.896 -6.262 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -9.294 -9.928 -4.513 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -8.073 -8.697 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -10.226 -7.601 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -9.668 -7.448 -6.241 1.00 0.00 H new ATOM 0 HE ARG B 54 -11.202 -9.756 -6.310 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -11.749 -6.400 -5.322 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -13.484 -6.472 -5.643 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -13.447 -9.833 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -14.436 -8.395 -6.399 1.00 0.00 H new ATOM 2163 N LYS B 55 -5.775 -10.932 -6.730 1.00 0.00 N ATOM 2164 CA LYS B 55 -4.606 -11.511 -6.080 1.00 0.00 C ATOM 2165 C LYS B 55 -3.363 -11.278 -6.932 1.00 0.00 C ATOM 2166 O LYS B 55 -2.259 -11.121 -6.410 1.00 0.00 O ATOM 2167 CB LYS B 55 -4.830 -13.012 -5.831 1.00 0.00 C ATOM 2168 CG LYS B 55 -4.061 -13.582 -4.638 1.00 0.00 C ATOM 2169 CD LYS B 55 -2.597 -13.855 -4.955 1.00 0.00 C ATOM 2170 CE LYS B 55 -1.871 -14.445 -3.755 1.00 0.00 C ATOM 2171 NZ LYS B 55 -0.497 -14.902 -4.097 1.00 0.00 N ATOM 0 H LYS B 55 -6.366 -11.607 -7.215 1.00 0.00 H new ATOM 0 HA LYS B 55 -4.454 -11.024 -5.117 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -5.895 -13.186 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -4.544 -13.562 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -4.123 -12.883 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -4.537 -14.508 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.528 -14.542 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.110 -12.928 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -1.817 -13.699 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -2.444 -15.285 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -0.091 -15.417 -3.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.536 -15.531 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 0.098 -14.078 -4.316 1.00 0.00 H new ATOM 2185 N LEU B 56 -3.549 -11.240 -8.246 1.00 0.00 N ATOM 2186 CA LEU B 56 -2.445 -10.999 -9.169 1.00 0.00 C ATOM 2187 C LEU B 56 -1.863 -9.610 -8.929 1.00 0.00 C ATOM 2188 O LEU B 56 -0.651 -9.455 -8.763 1.00 0.00 O ATOM 2189 CB LEU B 56 -2.926 -11.142 -10.623 1.00 0.00 C ATOM 2190 CG LEU B 56 -1.829 -11.324 -11.690 1.00 0.00 C ATOM 2191 CD1 LEU B 56 -2.447 -11.749 -13.011 1.00 0.00 C ATOM 2192 CD2 LEU B 56 -1.028 -10.046 -11.898 1.00 0.00 C ATOM 0 H LEU B 56 -4.454 -11.373 -8.697 1.00 0.00 H new ATOM 0 HA LEU B 56 -1.665 -11.739 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -3.601 -11.996 -10.678 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -3.509 -10.257 -10.879 1.00 0.00 H new ATOM 0 HG LEU B 56 -1.152 -12.099 -11.331 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -1.662 -11.874 -13.756 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -2.975 -12.693 -12.878 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -3.148 -10.985 -13.347 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.265 -10.215 -12.658 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.695 -9.248 -12.225 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -0.551 -9.759 -10.961 1.00 0.00 H new ATOM 2204 N ILE B 57 -2.729 -8.605 -8.885 1.00 0.00 N ATOM 2205 CA ILE B 57 -2.283 -7.230 -8.720 1.00 0.00 C ATOM 2206 C ILE B 57 -1.681 -7.021 -7.331 1.00 0.00 C ATOM 2207 O ILE B 57 -0.734 -6.246 -7.172 1.00 0.00 O ATOM 2208 CB ILE B 57 -3.427 -6.218 -8.975 1.00 0.00 C ATOM 2209 CG1 ILE B 57 -2.860 -4.837 -9.304 1.00 0.00 C ATOM 2210 CG2 ILE B 57 -4.358 -6.126 -7.774 1.00 0.00 C ATOM 2211 CD1 ILE B 57 -3.919 -3.848 -9.739 1.00 0.00 C ATOM 0 H ILE B 57 -3.740 -8.717 -8.961 1.00 0.00 H new ATOM 0 HA ILE B 57 -1.511 -7.047 -9.467 1.00 0.00 H new ATOM 0 HB ILE B 57 -4.003 -6.577 -9.828 1.00 0.00 H new ATOM 0 HG12 ILE B 57 -2.343 -4.445 -8.428 1.00 0.00 H new ATOM 0 HG13 ILE B 57 -2.117 -4.935 -10.095 1.00 0.00 H new ATOM 0 HG21 ILE B 57 -5.151 -5.408 -7.983 1.00 0.00 H new ATOM 0 HG22 ILE B 57 -4.797 -7.104 -7.578 1.00 0.00 H new ATOM 0 HG23 ILE B 57 -3.794 -5.800 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE B 57 -3.452 -2.888 -9.958 1.00 0.00 H new ATOM 0 HD12 ILE B 57 -4.419 -4.220 -10.633 1.00 0.00 H new ATOM 0 HD13 ILE B 57 -4.650 -3.722 -8.940 1.00 0.00 H new ATOM 2223 N ALA B 58 -2.220 -7.732 -6.340 1.00 0.00 N ATOM 2224 CA ALA B 58 -1.690 -7.683 -4.983 1.00 0.00 C ATOM 2225 C ALA B 58 -0.306 -8.321 -4.930 1.00 0.00 C ATOM 2226 O ALA B 58 0.615 -7.785 -4.313 1.00 0.00 O ATOM 2227 CB ALA B 58 -2.636 -8.380 -4.016 1.00 0.00 C ATOM 0 H ALA B 58 -3.024 -8.349 -6.455 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.601 -6.639 -4.684 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.225 -8.334 -3.008 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -3.606 -7.884 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -2.756 -9.422 -4.312 1.00 0.00 H new ATOM 2233 N GLU B 59 -0.169 -9.457 -5.601 1.00 0.00 N ATOM 2234 CA GLU B 59 1.104 -10.162 -5.689 1.00 0.00 C ATOM 2235 C GLU B 59 2.141 -9.285 -6.382 1.00 0.00 C ATOM 2236 O GLU B 59 3.257 -9.109 -5.895 1.00 0.00 O ATOM 2237 CB GLU B 59 0.922 -11.466 -6.467 1.00 0.00 C ATOM 2238 CG GLU B 59 2.149 -12.358 -6.466 1.00 0.00 C ATOM 2239 CD GLU B 59 2.498 -12.853 -5.080 1.00 0.00 C ATOM 2240 OE1 GLU B 59 1.819 -13.778 -4.595 1.00 0.00 O ATOM 2241 OE2 GLU B 59 3.452 -12.324 -4.477 1.00 0.00 O ATOM 0 H GLU B 59 -0.933 -9.915 -6.098 1.00 0.00 H new ATOM 0 HA GLU B 59 1.452 -10.392 -4.682 1.00 0.00 H new ATOM 0 HB2 GLU B 59 0.083 -12.017 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU B 59 0.658 -11.229 -7.498 1.00 0.00 H new ATOM 0 HG2 GLU B 59 1.975 -13.212 -7.121 1.00 0.00 H new ATOM 0 HG3 GLU B 59 2.996 -11.808 -6.877 1.00 0.00 H new ATOM 2248 N LYS B 60 1.738 -8.723 -7.516 1.00 0.00 N ATOM 2249 CA LYS B 60 2.592 -7.840 -8.301 1.00 0.00 C ATOM 2250 C LYS B 60 3.070 -6.666 -7.451 1.00 0.00 C ATOM 2251 O LYS B 60 4.221 -6.240 -7.546 1.00 0.00 O ATOM 2252 CB LYS B 60 1.810 -7.324 -9.516 1.00 0.00 C ATOM 2253 CG LYS B 60 2.663 -6.599 -10.543 1.00 0.00 C ATOM 2254 CD LYS B 60 1.829 -6.116 -11.725 1.00 0.00 C ATOM 2255 CE LYS B 60 1.374 -4.672 -11.563 1.00 0.00 C ATOM 2256 NZ LYS B 60 0.440 -4.488 -10.420 1.00 0.00 N ATOM 0 H LYS B 60 0.811 -8.867 -7.917 1.00 0.00 H new ATOM 0 HA LYS B 60 3.465 -8.398 -8.640 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.316 -8.166 -10.000 1.00 0.00 H new ATOM 0 HB3 LYS B 60 1.026 -6.650 -9.170 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.155 -5.748 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS B 60 3.449 -7.265 -10.899 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.413 -6.209 -12.641 1.00 0.00 H new ATOM 0 HD3 LYS B 60 0.956 -6.759 -11.837 1.00 0.00 H new ATOM 0 HE2 LYS B 60 2.247 -4.035 -11.420 1.00 0.00 H new ATOM 0 HE3 LYS B 60 0.887 -4.344 -12.481 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.199 -3.692 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -0.119 -5.355 -10.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 0.984 -4.289 -9.556 1.00 0.00 H new ATOM 2270 N PHE B 61 2.172 -6.157 -6.621 1.00 0.00 N ATOM 2271 CA PHE B 61 2.483 -5.049 -5.732 1.00 0.00 C ATOM 2272 C PHE B 61 3.452 -5.485 -4.639 1.00 0.00 C ATOM 2273 O PHE B 61 4.506 -4.875 -4.448 1.00 0.00 O ATOM 2274 CB PHE B 61 1.194 -4.513 -5.105 1.00 0.00 C ATOM 2275 CG PHE B 61 1.421 -3.482 -4.039 1.00 0.00 C ATOM 2276 CD1 PHE B 61 2.013 -2.270 -4.341 1.00 0.00 C ATOM 2277 CD2 PHE B 61 1.042 -3.730 -2.730 1.00 0.00 C ATOM 2278 CE1 PHE B 61 2.224 -1.325 -3.361 1.00 0.00 C ATOM 2279 CE2 PHE B 61 1.252 -2.788 -1.745 1.00 0.00 C ATOM 2280 CZ PHE B 61 1.843 -1.582 -2.061 1.00 0.00 C ATOM 0 H PHE B 61 1.214 -6.498 -6.545 1.00 0.00 H new ATOM 0 HA PHE B 61 2.958 -4.260 -6.315 1.00 0.00 H new ATOM 0 HB2 PHE B 61 0.573 -4.080 -5.889 1.00 0.00 H new ATOM 0 HB3 PHE B 61 0.635 -5.346 -4.678 1.00 0.00 H new ATOM 0 HD1 PHE B 61 2.314 -2.061 -5.357 1.00 0.00 H new ATOM 0 HD2 PHE B 61 0.577 -4.672 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE B 61 2.688 -0.382 -3.611 1.00 0.00 H new ATOM 0 HE2 PHE B 61 0.954 -2.994 -0.728 1.00 0.00 H new ATOM 0 HZ PHE B 61 2.007 -0.841 -1.292 1.00 0.00 H new ATOM 2290 N ALA B 62 3.089 -6.550 -3.937 1.00 0.00 N ATOM 2291 CA ALA B 62 3.886 -7.052 -2.828 1.00 0.00 C ATOM 2292 C ALA B 62 5.289 -7.433 -3.280 1.00 0.00 C ATOM 2293 O ALA B 62 6.269 -7.113 -2.611 1.00 0.00 O ATOM 2294 CB ALA B 62 3.193 -8.244 -2.187 1.00 0.00 C ATOM 0 H ALA B 62 2.240 -7.086 -4.119 1.00 0.00 H new ATOM 0 HA ALA B 62 3.981 -6.255 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA B 62 3.797 -8.613 -1.358 1.00 0.00 H new ATOM 0 HB2 ALA B 62 2.214 -7.940 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA B 62 3.071 -9.035 -2.927 1.00 0.00 H new ATOM 2300 N GLN B 63 5.380 -8.104 -4.422 1.00 0.00 N ATOM 2301 CA GLN B 63 6.664 -8.549 -4.947 1.00 0.00 C ATOM 2302 C GLN B 63 7.549 -7.352 -5.293 1.00 0.00 C ATOM 2303 O GLN B 63 8.753 -7.359 -5.027 1.00 0.00 O ATOM 2304 CB GLN B 63 6.457 -9.431 -6.179 1.00 0.00 C ATOM 2305 CG GLN B 63 7.716 -10.155 -6.623 1.00 0.00 C ATOM 2306 CD GLN B 63 7.467 -11.088 -7.789 1.00 0.00 C ATOM 2307 OE1 GLN B 63 7.610 -10.705 -8.949 1.00 0.00 O ATOM 2308 NE2 GLN B 63 7.079 -12.316 -7.488 1.00 0.00 N ATOM 0 H GLN B 63 4.579 -8.352 -5.002 1.00 0.00 H new ATOM 0 HA GLN B 63 7.166 -9.136 -4.177 1.00 0.00 H new ATOM 0 HB2 GLN B 63 5.681 -10.166 -5.964 1.00 0.00 H new ATOM 0 HB3 GLN B 63 6.093 -8.814 -7.001 1.00 0.00 H new ATOM 0 HG2 GLN B 63 8.473 -9.422 -6.903 1.00 0.00 H new ATOM 0 HG3 GLN B 63 8.118 -10.725 -5.785 1.00 0.00 H new ATOM 0 HE21 GLN B 63 6.973 -12.592 -6.512 1.00 0.00 H new ATOM 0 HE22 GLN B 63 6.886 -12.987 -8.232 1.00 0.00 H new ATOM 2317 N ALA B 64 6.944 -6.318 -5.869 1.00 0.00 N ATOM 2318 CA ALA B 64 7.670 -5.099 -6.198 1.00 0.00 C ATOM 2319 C ALA B 64 8.119 -4.388 -4.927 1.00 0.00 C ATOM 2320 O ALA B 64 9.225 -3.851 -4.862 1.00 0.00 O ATOM 2321 CB ALA B 64 6.811 -4.179 -7.049 1.00 0.00 C ATOM 0 H ALA B 64 5.955 -6.301 -6.117 1.00 0.00 H new ATOM 0 HA ALA B 64 8.555 -5.370 -6.773 1.00 0.00 H new ATOM 0 HB1 ALA B 64 7.370 -3.274 -7.285 1.00 0.00 H new ATOM 0 HB2 ALA B 64 6.538 -4.688 -7.973 1.00 0.00 H new ATOM 0 HB3 ALA B 64 5.907 -3.914 -6.500 1.00 0.00 H new ATOM 2327 N LEU B 65 7.256 -4.398 -3.916 1.00 0.00 N ATOM 2328 CA LEU B 65 7.573 -3.787 -2.633 1.00 0.00 C ATOM 2329 C LEU B 65 8.729 -4.529 -1.964 1.00 0.00 C ATOM 2330 O LEU B 65 9.619 -3.912 -1.385 1.00 0.00 O ATOM 2331 CB LEU B 65 6.341 -3.786 -1.722 1.00 0.00 C ATOM 2332 CG LEU B 65 6.498 -2.990 -0.423 1.00 0.00 C ATOM 2333 CD1 LEU B 65 6.834 -1.541 -0.725 1.00 0.00 C ATOM 2334 CD2 LEU B 65 5.229 -3.072 0.413 1.00 0.00 C ATOM 0 H LEU B 65 6.330 -4.824 -3.962 1.00 0.00 H new ATOM 0 HA LEU B 65 7.876 -2.754 -2.806 1.00 0.00 H new ATOM 0 HB2 LEU B 65 5.496 -3.381 -2.279 1.00 0.00 H new ATOM 0 HB3 LEU B 65 6.092 -4.817 -1.471 1.00 0.00 H new ATOM 0 HG LEU B 65 7.318 -3.427 0.148 1.00 0.00 H new ATOM 0 HD11 LEU B 65 6.942 -0.990 0.209 1.00 0.00 H new ATOM 0 HD12 LEU B 65 7.768 -1.493 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU B 65 6.033 -1.098 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU B 65 5.361 -2.500 1.332 1.00 0.00 H new ATOM 0 HD22 LEU B 65 4.393 -2.661 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU B 65 5.023 -4.113 0.660 1.00 0.00 H new ATOM 2346 N MET B 66 8.716 -5.857 -2.065 1.00 0.00 N ATOM 2347 CA MET B 66 9.798 -6.677 -1.526 1.00 0.00 C ATOM 2348 C MET B 66 11.109 -6.364 -2.239 1.00 0.00 C ATOM 2349 O MET B 66 12.164 -6.276 -1.614 1.00 0.00 O ATOM 2350 CB MET B 66 9.483 -8.168 -1.676 1.00 0.00 C ATOM 2351 CG MET B 66 8.270 -8.654 -0.888 1.00 0.00 C ATOM 2352 SD MET B 66 8.475 -8.546 0.904 1.00 0.00 S ATOM 2353 CE MET B 66 8.026 -6.838 1.214 1.00 0.00 C ATOM 0 H MET B 66 7.969 -6.387 -2.514 1.00 0.00 H new ATOM 0 HA MET B 66 9.896 -6.442 -0.466 1.00 0.00 H new ATOM 0 HB2 MET B 66 9.322 -8.385 -2.732 1.00 0.00 H new ATOM 0 HB3 MET B 66 10.355 -8.741 -1.362 1.00 0.00 H new ATOM 0 HG2 MET B 66 7.399 -8.068 -1.181 1.00 0.00 H new ATOM 0 HG3 MET B 66 8.063 -9.689 -1.159 1.00 0.00 H new ATOM 0 HE1 MET B 66 7.693 -6.731 2.246 1.00 0.00 H new ATOM 0 HE2 MET B 66 8.891 -6.198 1.044 1.00 0.00 H new ATOM 0 HE3 MET B 66 7.220 -6.546 0.541 1.00 0.00 H new ATOM 2363 N SER B 67 11.027 -6.181 -3.551 1.00 0.00 N ATOM 2364 CA SER B 67 12.200 -5.890 -4.363 1.00 0.00 C ATOM 2365 C SER B 67 12.719 -4.474 -4.094 1.00 0.00 C ATOM 2366 O SER B 67 13.869 -4.157 -4.402 1.00 0.00 O ATOM 2367 CB SER B 67 11.862 -6.061 -5.849 1.00 0.00 C ATOM 2368 OG SER B 67 13.010 -5.893 -6.665 1.00 0.00 O ATOM 0 H SER B 67 10.155 -6.230 -4.077 1.00 0.00 H new ATOM 0 HA SER B 67 12.988 -6.593 -4.093 1.00 0.00 H new ATOM 0 HB2 SER B 67 11.438 -7.051 -6.015 1.00 0.00 H new ATOM 0 HB3 SER B 67 11.101 -5.336 -6.136 1.00 0.00 H new ATOM 0 HG SER B 67 12.762 -6.009 -7.606 1.00 0.00 H new ATOM 2374 N SER B 68 11.868 -3.627 -3.532 1.00 0.00 N ATOM 2375 CA SER B 68 12.257 -2.261 -3.207 1.00 0.00 C ATOM 2376 C SER B 68 12.606 -2.128 -1.726 1.00 0.00 C ATOM 2377 O SER B 68 13.026 -1.064 -1.265 1.00 0.00 O ATOM 2378 CB SER B 68 11.129 -1.299 -3.582 1.00 0.00 C ATOM 2379 OG SER B 68 10.785 -1.446 -4.951 1.00 0.00 O ATOM 0 H SER B 68 10.905 -3.861 -3.292 1.00 0.00 H new ATOM 0 HA SER B 68 13.147 -2.007 -3.782 1.00 0.00 H new ATOM 0 HB2 SER B 68 10.256 -1.492 -2.959 1.00 0.00 H new ATOM 0 HB3 SER B 68 11.439 -0.272 -3.387 1.00 0.00 H new ATOM 0 HG SER B 68 10.239 -2.251 -5.066 1.00 0.00 H new ATOM 2385 N LEU B 69 12.446 -3.218 -0.988 1.00 0.00 N ATOM 2386 CA LEU B 69 12.718 -3.222 0.439 1.00 0.00 C ATOM 2387 C LEU B 69 14.214 -3.386 0.674 1.00 0.00 C ATOM 2388 O LEU B 69 14.758 -4.483 0.545 1.00 0.00 O ATOM 2389 CB LEU B 69 11.942 -4.361 1.119 1.00 0.00 C ATOM 2390 CG LEU B 69 11.637 -4.188 2.618 1.00 0.00 C ATOM 2391 CD1 LEU B 69 10.822 -5.367 3.120 1.00 0.00 C ATOM 2392 CD2 LEU B 69 12.908 -4.044 3.444 1.00 0.00 C ATOM 0 H LEU B 69 12.128 -4.114 -1.358 1.00 0.00 H new ATOM 0 HA LEU B 69 12.393 -2.275 0.871 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.997 -4.492 0.592 1.00 0.00 H new ATOM 0 HB3 LEU B 69 12.509 -5.283 0.991 1.00 0.00 H new ATOM 0 HG LEU B 69 11.063 -3.269 2.735 1.00 0.00 H new ATOM 0 HD11 LEU B 69 10.610 -5.237 4.181 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.884 -5.423 2.567 1.00 0.00 H new ATOM 0 HD13 LEU B 69 11.386 -6.288 2.972 1.00 0.00 H new ATOM 0 HD21 LEU B 69 12.647 -3.924 4.495 1.00 0.00 H new ATOM 0 HD22 LEU B 69 13.524 -4.935 3.322 1.00 0.00 H new ATOM 0 HD23 LEU B 69 13.464 -3.170 3.106 1.00 0.00 H new