USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 522 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 31 GLN :FLIP amide:sc= -3.81! C(o=-8.6!,f=-3.8!) USER MOD Set 1.2: A 41 GLN : amide:sc= 0.025 K(o=-3.8,f=-10!) USER MOD Single : A 1 MET CE :methyl -118:sc= -1.97 (180deg=-5.95!) USER MOD Single : A 1 MET N :NH3+ 126:sc= 0.0447 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -170:sc= -0.0507 USER MOD Single : A 9 THR OG1 : rot 12:sc= 0.541! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.869 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 0.00306 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.13 F(o=-3!,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00261 X(o=-0.0026,f=-0.11) USER MOD Single : A 55 THR OG1 : rot 142:sc= -1.82 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 0:sc= -2.19 USER MOD Single : A 60 ASN : amide:sc= -1.13 X(o=-1.1,f=-0.72) USER MOD Single : A 62 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -75:sc= -2.36 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.422 F(o=-2,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.993 -9.195 10.542 1.00 0.00 N ATOM 2 CA MET A 1 0.048 -8.566 9.748 1.00 0.00 C ATOM 3 C MET A 1 -0.095 -7.042 9.765 1.00 0.00 C ATOM 4 O MET A 1 -1.201 -6.521 9.904 1.00 0.00 O ATOM 5 CB MET A 1 -0.036 -9.070 8.305 1.00 0.00 C ATOM 6 CG MET A 1 1.013 -8.387 7.424 1.00 0.00 C ATOM 7 SD MET A 1 1.377 -9.409 6.007 1.00 0.00 S ATOM 8 CE MET A 1 2.180 -10.784 6.815 1.00 0.00 C ATOM 0 H1 MET A 1 -1.492 -9.901 9.964 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.566 -9.663 11.367 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.668 -8.472 10.865 1.00 0.00 H new ATOM 0 HA MET A 1 1.015 -8.827 10.178 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.113 -10.150 8.284 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.032 -8.878 7.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.647 -7.414 7.097 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.922 -8.209 7.998 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.207 -10.865 6.460 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.180 -10.623 7.893 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.643 -11.705 6.586 1.00 0.00 H new ATOM 16 N GLN A 2 1.038 -6.372 9.621 1.00 0.00 N ATOM 17 CA GLN A 2 1.054 -4.918 9.619 1.00 0.00 C ATOM 18 C GLN A 2 1.964 -4.399 8.505 1.00 0.00 C ATOM 19 O GLN A 2 2.823 -5.128 8.010 1.00 0.00 O ATOM 20 CB GLN A 2 1.487 -4.373 10.981 1.00 0.00 C ATOM 21 CG GLN A 2 0.589 -4.910 12.097 1.00 0.00 C ATOM 22 CD GLN A 2 1.178 -4.592 13.473 1.00 0.00 C ATOM 23 OE1 GLN A 2 1.901 -5.378 14.065 1.00 0.00 O ATOM 24 NE2 GLN A 2 0.829 -3.400 13.950 1.00 0.00 N ATOM 0 H GLN A 2 1.953 -6.809 9.505 1.00 0.00 H new ATOM 0 HA GLN A 2 0.041 -4.563 9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.522 -4.653 11.176 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.448 -3.284 10.970 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.405 -4.471 12.012 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.472 -5.988 11.988 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.221 -2.790 13.404 1.00 0.00 H new ATOM 0 HE22 GLN A 2 1.170 -3.096 14.862 1.00 0.00 H new ATOM 31 N ILE A 3 1.747 -3.143 8.143 1.00 0.00 N ATOM 32 CA ILE A 3 2.538 -2.518 7.097 1.00 0.00 C ATOM 33 C ILE A 3 2.628 -1.014 7.362 1.00 0.00 C ATOM 34 O ILE A 3 1.974 -0.499 8.267 1.00 0.00 O ATOM 35 CB ILE A 3 1.973 -2.866 5.718 1.00 0.00 C ATOM 36 CG1 ILE A 3 0.747 -2.010 5.396 1.00 0.00 C ATOM 37 CG2 ILE A 3 1.672 -4.363 5.611 1.00 0.00 C ATOM 38 CD1 ILE A 3 0.446 -2.026 3.896 1.00 0.00 C ATOM 0 H ILE A 3 1.034 -2.541 8.556 1.00 0.00 H new ATOM 0 HA ILE A 3 3.557 -2.906 7.106 1.00 0.00 H new ATOM 0 HB ILE A 3 2.731 -2.636 4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.116 -2.382 5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.918 -0.985 5.725 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.272 -4.584 4.622 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.590 -4.931 5.766 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.940 -4.642 6.369 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.430 -1.410 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.302 -1.630 3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.252 -3.049 3.575 1.00 0.00 H new ATOM 49 N PHE A 4 3.445 -0.351 6.556 1.00 0.00 N ATOM 50 CA PHE A 4 3.630 1.083 6.693 1.00 0.00 C ATOM 51 C PHE A 4 3.635 1.768 5.324 1.00 0.00 C ATOM 52 O PHE A 4 3.359 1.133 4.307 1.00 0.00 O ATOM 53 CB PHE A 4 4.988 1.298 7.362 1.00 0.00 C ATOM 54 CG PHE A 4 5.180 0.498 8.652 1.00 0.00 C ATOM 55 CD1 PHE A 4 4.592 0.915 9.805 1.00 0.00 C ATOM 56 CD2 PHE A 4 5.937 -0.632 8.646 1.00 0.00 C ATOM 57 CE1 PHE A 4 4.769 0.172 11.002 1.00 0.00 C ATOM 58 CE2 PHE A 4 6.115 -1.374 9.842 1.00 0.00 C ATOM 59 CZ PHE A 4 5.527 -0.957 10.996 1.00 0.00 C ATOM 0 H PHE A 4 3.986 -0.781 5.806 1.00 0.00 H new ATOM 0 HA PHE A 4 2.816 1.508 7.280 1.00 0.00 H new ATOM 0 HB2 PHE A 4 5.775 1.027 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.109 2.359 7.583 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.990 1.812 9.810 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.403 -0.965 7.730 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.302 0.504 11.917 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.718 -2.270 9.836 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.662 -1.522 11.906 1.00 0.00 H new ATOM 68 N VAL A 5 3.951 3.054 5.343 1.00 0.00 N ATOM 69 CA VAL A 5 3.996 3.833 4.116 1.00 0.00 C ATOM 70 C VAL A 5 4.837 5.090 4.345 1.00 0.00 C ATOM 71 O VAL A 5 4.955 5.565 5.474 1.00 0.00 O ATOM 72 CB VAL A 5 2.575 4.142 3.641 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.678 4.539 4.815 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.582 5.228 2.564 1.00 0.00 C ATOM 0 H VAL A 5 4.179 3.577 6.189 1.00 0.00 H new ATOM 0 HA VAL A 5 4.474 3.264 3.319 1.00 0.00 H new ATOM 0 HB VAL A 5 2.164 3.234 3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.674 4.753 4.449 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.636 3.720 5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.085 5.427 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.560 5.429 2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.021 6.140 2.969 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.170 4.890 1.711 1.00 0.00 H new ATOM 84 N LYS A 6 5.399 5.593 3.256 1.00 0.00 N ATOM 85 CA LYS A 6 6.226 6.787 3.325 1.00 0.00 C ATOM 86 C LYS A 6 5.637 7.862 2.410 1.00 0.00 C ATOM 87 O LYS A 6 5.641 7.713 1.189 1.00 0.00 O ATOM 88 CB LYS A 6 7.684 6.446 3.015 1.00 0.00 C ATOM 89 CG LYS A 6 8.520 6.395 4.295 1.00 0.00 C ATOM 90 CD LYS A 6 9.972 6.026 3.988 1.00 0.00 C ATOM 91 CE LYS A 6 10.667 5.457 5.227 1.00 0.00 C ATOM 92 NZ LYS A 6 12.093 5.853 5.249 1.00 0.00 N ATOM 0 H LYS A 6 5.299 5.197 2.322 1.00 0.00 H new ATOM 0 HA LYS A 6 6.226 7.194 4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.735 5.484 2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.099 7.190 2.335 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.485 7.363 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.093 5.665 4.983 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.002 5.294 3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.509 6.908 3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.170 5.817 6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.585 4.370 5.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.550 5.459 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.568 5.489 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 12.165 6.890 5.268 1.00 0.00 H new ATOM 102 N THR A 7 5.145 8.922 3.035 1.00 0.00 N ATOM 103 CA THR A 7 4.554 10.022 2.291 1.00 0.00 C ATOM 104 C THR A 7 5.636 11.008 1.849 1.00 0.00 C ATOM 105 O THR A 7 6.827 10.717 1.954 1.00 0.00 O ATOM 106 CB THR A 7 3.474 10.659 3.169 1.00 0.00 C ATOM 107 OG1 THR A 7 4.195 11.191 4.277 1.00 0.00 O ATOM 108 CG2 THR A 7 2.541 9.621 3.795 1.00 0.00 C ATOM 0 H THR A 7 5.143 9.043 4.048 1.00 0.00 H new ATOM 0 HA THR A 7 4.083 9.671 1.373 1.00 0.00 H new ATOM 0 HB THR A 7 2.889 11.360 2.573 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.564 11.481 4.969 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.794 10.126 4.408 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.043 9.057 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.121 8.939 4.418 1.00 0.00 H new ATOM 116 N LEU A 8 5.184 12.154 1.361 1.00 0.00 N ATOM 117 CA LEU A 8 6.099 13.185 0.902 1.00 0.00 C ATOM 118 C LEU A 8 6.930 13.688 2.084 1.00 0.00 C ATOM 119 O LEU A 8 8.121 13.957 1.940 1.00 0.00 O ATOM 120 CB LEU A 8 5.335 14.293 0.172 1.00 0.00 C ATOM 121 CG LEU A 8 5.096 14.068 -1.323 1.00 0.00 C ATOM 122 CD1 LEU A 8 6.296 14.540 -2.147 1.00 0.00 C ATOM 123 CD2 LEU A 8 4.743 12.608 -1.609 1.00 0.00 C ATOM 0 H LEU A 8 4.196 12.391 1.274 1.00 0.00 H new ATOM 0 HA LEU A 8 6.798 12.776 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.369 14.423 0.659 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.882 15.227 0.296 1.00 0.00 H new ATOM 0 HG LEU A 8 4.240 14.671 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.100 14.369 -3.206 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.459 15.604 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.184 13.984 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.578 12.476 -2.678 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.562 11.966 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.836 12.340 -1.067 1.00 0.00 H new ATOM 134 N THR A 9 6.267 13.800 3.226 1.00 0.00 N ATOM 135 CA THR A 9 6.930 14.266 4.433 1.00 0.00 C ATOM 136 C THR A 9 7.737 13.133 5.070 1.00 0.00 C ATOM 137 O THR A 9 8.521 13.364 5.988 1.00 0.00 O ATOM 138 CB THR A 9 5.865 14.850 5.362 1.00 0.00 C ATOM 139 OG1 THR A 9 6.493 14.871 6.641 1.00 0.00 O ATOM 140 CG2 THR A 9 4.672 13.910 5.549 1.00 0.00 C ATOM 0 H THR A 9 5.279 13.576 3.341 1.00 0.00 H new ATOM 0 HA THR A 9 7.652 15.051 4.209 1.00 0.00 H new ATOM 0 HB THR A 9 5.518 15.803 4.962 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.453 14.704 6.537 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.946 14.373 6.217 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.205 13.718 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.014 12.969 5.980 1.00 0.00 H new ATOM 148 N GLY A 10 7.517 11.931 4.555 1.00 0.00 N ATOM 149 CA GLY A 10 8.213 10.761 5.062 1.00 0.00 C ATOM 150 C GLY A 10 7.428 10.106 6.201 1.00 0.00 C ATOM 151 O GLY A 10 7.669 8.948 6.540 1.00 0.00 O ATOM 0 H GLY A 10 6.867 11.743 3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.358 10.042 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.203 11.048 5.416 1.00 0.00 H new ATOM 155 N LYS A 11 6.505 10.874 6.759 1.00 0.00 N ATOM 156 CA LYS A 11 5.682 10.383 7.852 1.00 0.00 C ATOM 157 C LYS A 11 5.369 8.903 7.622 1.00 0.00 C ATOM 158 O LYS A 11 4.777 8.540 6.607 1.00 0.00 O ATOM 159 CB LYS A 11 4.436 11.256 8.020 1.00 0.00 C ATOM 160 CG LYS A 11 4.409 11.911 9.403 1.00 0.00 C ATOM 161 CD LYS A 11 2.982 11.966 9.953 1.00 0.00 C ATOM 162 CE LYS A 11 2.266 13.237 9.492 1.00 0.00 C ATOM 163 NZ LYS A 11 2.611 14.375 10.374 1.00 0.00 N ATOM 0 H LYS A 11 6.308 11.834 6.475 1.00 0.00 H new ATOM 0 HA LYS A 11 6.221 10.453 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.420 12.026 7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.541 10.649 7.883 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.046 11.351 10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.818 12.919 9.340 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.426 11.090 9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.007 11.933 11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.547 13.467 8.464 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.188 13.077 9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.117 15.230 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.321 14.159 11.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.638 14.537 10.346 1.00 0.00 H new ATOM 173 N THR A 12 5.781 8.089 8.583 1.00 0.00 N ATOM 174 CA THR A 12 5.551 6.657 8.499 1.00 0.00 C ATOM 175 C THR A 12 4.215 6.292 9.149 1.00 0.00 C ATOM 176 O THR A 12 4.090 6.304 10.372 1.00 0.00 O ATOM 177 CB THR A 12 6.749 5.948 9.135 1.00 0.00 C ATOM 178 OG1 THR A 12 7.778 6.057 8.154 1.00 0.00 O ATOM 179 CG2 THR A 12 6.529 4.440 9.278 1.00 0.00 C ATOM 0 H THR A 12 6.272 8.394 9.423 1.00 0.00 H new ATOM 0 HA THR A 12 5.473 6.329 7.462 1.00 0.00 H new ATOM 0 HB THR A 12 6.948 6.380 10.116 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.593 5.625 8.485 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.408 3.986 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 12 5.658 4.257 9.908 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.363 4.002 8.294 1.00 0.00 H new ATOM 187 N ILE A 13 3.248 5.973 8.300 1.00 0.00 N ATOM 188 CA ILE A 13 1.925 5.605 8.776 1.00 0.00 C ATOM 189 C ILE A 13 1.793 4.082 8.773 1.00 0.00 C ATOM 190 O ILE A 13 2.015 3.437 7.749 1.00 0.00 O ATOM 191 CB ILE A 13 0.845 6.318 7.959 1.00 0.00 C ATOM 192 CG1 ILE A 13 0.617 7.741 8.474 1.00 0.00 C ATOM 193 CG2 ILE A 13 -0.449 5.502 7.934 1.00 0.00 C ATOM 194 CD1 ILE A 13 1.602 8.719 7.833 1.00 0.00 C ATOM 0 H ILE A 13 3.355 5.962 7.286 1.00 0.00 H new ATOM 0 HA ILE A 13 1.784 5.935 9.805 1.00 0.00 H new ATOM 0 HB ILE A 13 1.193 6.402 6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -0.404 8.052 8.255 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.731 7.762 9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -1.201 6.030 7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.256 4.528 7.485 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.813 5.366 8.952 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.419 9.723 8.216 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.622 8.419 8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.469 8.713 6.751 1.00 0.00 H new ATOM 205 N THR A 14 1.433 3.549 9.931 1.00 0.00 N ATOM 206 CA THR A 14 1.269 2.112 10.077 1.00 0.00 C ATOM 207 C THR A 14 -0.095 1.674 9.539 1.00 0.00 C ATOM 208 O THR A 14 -1.045 2.457 9.533 1.00 0.00 O ATOM 209 CB THR A 14 1.483 1.758 11.549 1.00 0.00 C ATOM 210 OG1 THR A 14 2.675 2.453 11.904 1.00 0.00 O ATOM 211 CG2 THR A 14 1.838 0.284 11.751 1.00 0.00 C ATOM 0 H THR A 14 1.250 4.087 10.778 1.00 0.00 H new ATOM 0 HA THR A 14 2.007 1.568 9.487 1.00 0.00 H new ATOM 0 HB THR A 14 0.581 1.995 12.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.443 2.029 11.467 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.979 0.086 12.814 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.030 -0.340 11.370 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.758 0.054 11.214 1.00 0.00 H new ATOM 219 N LEU A 15 -0.148 0.426 9.099 1.00 0.00 N ATOM 220 CA LEU A 15 -1.380 -0.126 8.560 1.00 0.00 C ATOM 221 C LEU A 15 -1.508 -1.589 8.986 1.00 0.00 C ATOM 222 O LEU A 15 -0.505 -2.263 9.212 1.00 0.00 O ATOM 223 CB LEU A 15 -1.442 0.081 7.045 1.00 0.00 C ATOM 224 CG LEU A 15 -1.091 1.485 6.544 1.00 0.00 C ATOM 225 CD1 LEU A 15 -0.611 1.444 5.093 1.00 0.00 C ATOM 226 CD2 LEU A 15 -2.267 2.444 6.733 1.00 0.00 C ATOM 0 H LEU A 15 0.642 -0.219 9.104 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.243 0.401 8.966 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.765 -0.631 6.573 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.449 -0.163 6.706 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.266 1.867 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.368 2.454 4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.276 0.815 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.399 1.034 4.461 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.991 3.434 6.369 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.128 2.079 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.521 2.504 7.791 1.00 0.00 H new ATOM 237 N GLU A 16 -2.751 -2.037 9.083 1.00 0.00 N ATOM 238 CA GLU A 16 -3.023 -3.409 9.479 1.00 0.00 C ATOM 239 C GLU A 16 -3.834 -4.122 8.395 1.00 0.00 C ATOM 240 O GLU A 16 -5.029 -4.362 8.566 1.00 0.00 O ATOM 241 CB GLU A 16 -3.746 -3.458 10.826 1.00 0.00 C ATOM 242 CG GLU A 16 -3.227 -4.611 11.686 1.00 0.00 C ATOM 243 CD GLU A 16 -4.319 -5.136 12.619 1.00 0.00 C ATOM 244 OE1 GLU A 16 -4.964 -4.286 13.273 1.00 0.00 O ATOM 245 OE2 GLU A 16 -4.486 -6.374 12.659 1.00 0.00 O ATOM 0 H GLU A 16 -3.581 -1.475 8.894 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.072 -3.929 9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.605 -2.514 11.353 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.817 -3.575 10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.874 -5.418 11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.373 -4.275 12.274 1.00 0.00 H new ATOM 250 N VAL A 17 -3.152 -4.442 7.305 1.00 0.00 N ATOM 251 CA VAL A 17 -3.794 -5.124 6.194 1.00 0.00 C ATOM 252 C VAL A 17 -3.275 -6.560 6.113 1.00 0.00 C ATOM 253 O VAL A 17 -2.255 -6.891 6.718 1.00 0.00 O ATOM 254 CB VAL A 17 -3.577 -4.335 4.900 1.00 0.00 C ATOM 255 CG1 VAL A 17 -4.391 -3.040 4.904 1.00 0.00 C ATOM 256 CG2 VAL A 17 -2.091 -4.049 4.676 1.00 0.00 C ATOM 0 H VAL A 17 -2.161 -4.242 7.168 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.871 -5.177 6.350 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.929 -4.948 4.070 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -4.219 -2.499 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.451 -3.277 4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.084 -2.420 5.746 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.964 -3.488 3.750 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.703 -3.465 5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.546 -4.990 4.607 1.00 0.00 H new ATOM 266 N GLU A 18 -3.998 -7.376 5.361 1.00 0.00 N ATOM 267 CA GLU A 18 -3.622 -8.770 5.194 1.00 0.00 C ATOM 268 C GLU A 18 -2.886 -8.966 3.866 1.00 0.00 C ATOM 269 O GLU A 18 -2.911 -8.089 3.004 1.00 0.00 O ATOM 270 CB GLU A 18 -4.847 -9.683 5.280 1.00 0.00 C ATOM 271 CG GLU A 18 -4.970 -10.305 6.672 1.00 0.00 C ATOM 272 CD GLU A 18 -5.853 -9.446 7.581 1.00 0.00 C ATOM 273 OE1 GLU A 18 -7.082 -9.459 7.355 1.00 0.00 O ATOM 274 OE2 GLU A 18 -5.278 -8.796 8.480 1.00 0.00 O ATOM 0 H GLU A 18 -4.842 -7.099 4.860 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.948 -9.043 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.747 -9.112 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.771 -10.471 4.531 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.392 -11.307 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.980 -10.411 7.116 1.00 0.00 H new ATOM 279 N PRO A 19 -2.230 -10.151 3.742 1.00 0.00 N ATOM 280 CA PRO A 19 -1.488 -10.472 2.536 1.00 0.00 C ATOM 281 C PRO A 19 -2.434 -10.836 1.390 1.00 0.00 C ATOM 282 O PRO A 19 -2.020 -10.902 0.233 1.00 0.00 O ATOM 283 CB PRO A 19 -0.569 -11.616 2.932 1.00 0.00 C ATOM 284 CG PRO A 19 -1.155 -12.199 4.207 1.00 0.00 C ATOM 285 CD PRO A 19 -2.179 -11.212 4.744 1.00 0.00 C ATOM 0 HA PRO A 19 -0.912 -9.627 2.160 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.521 -12.368 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 19 0.448 -11.261 3.097 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.623 -13.163 4.006 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.370 -12.373 4.943 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.154 -11.683 4.873 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.882 -10.823 5.718 1.00 0.00 H new ATOM 290 N SER A 20 -3.690 -11.063 1.751 1.00 0.00 N ATOM 291 CA SER A 20 -4.698 -11.418 0.768 1.00 0.00 C ATOM 292 C SER A 20 -5.489 -10.175 0.357 1.00 0.00 C ATOM 293 O SER A 20 -6.194 -10.188 -0.651 1.00 0.00 O ATOM 294 CB SER A 20 -5.643 -12.492 1.312 1.00 0.00 C ATOM 295 OG SER A 20 -4.959 -13.710 1.596 1.00 0.00 O ATOM 0 H SER A 20 -4.031 -11.008 2.711 1.00 0.00 H new ATOM 0 HA SER A 20 -4.193 -11.826 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.124 -12.126 2.219 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.434 -12.681 0.586 1.00 0.00 H new ATOM 0 HG SER A 20 -5.596 -14.370 1.943 1.00 0.00 H new ATOM 300 N ASP A 21 -5.347 -9.130 1.159 1.00 0.00 N ATOM 301 CA ASP A 21 -6.040 -7.881 0.892 1.00 0.00 C ATOM 302 C ASP A 21 -5.612 -7.349 -0.477 1.00 0.00 C ATOM 303 O ASP A 21 -4.901 -8.027 -1.217 1.00 0.00 O ATOM 304 CB ASP A 21 -5.691 -6.823 1.940 1.00 0.00 C ATOM 305 CG ASP A 21 -6.765 -6.589 3.005 1.00 0.00 C ATOM 306 OD1 ASP A 21 -7.320 -7.602 3.483 1.00 0.00 O ATOM 307 OD2 ASP A 21 -7.007 -5.403 3.315 1.00 0.00 O ATOM 0 H ASP A 21 -4.762 -9.123 1.994 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.112 -8.077 0.920 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.766 -7.116 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.494 -5.880 1.431 1.00 0.00 H new ATOM 311 N THR A 22 -6.064 -6.139 -0.774 1.00 0.00 N ATOM 312 CA THR A 22 -5.736 -5.508 -2.041 1.00 0.00 C ATOM 313 C THR A 22 -5.135 -4.121 -1.807 1.00 0.00 C ATOM 314 O THR A 22 -5.202 -3.590 -0.699 1.00 0.00 O ATOM 315 CB THR A 22 -7.003 -5.484 -2.898 1.00 0.00 C ATOM 316 OG1 THR A 22 -7.371 -6.856 -3.012 1.00 0.00 O ATOM 317 CG2 THR A 22 -6.726 -5.052 -4.340 1.00 0.00 C ATOM 0 H THR A 22 -6.655 -5.579 -0.159 1.00 0.00 H new ATOM 0 HA THR A 22 -4.973 -6.072 -2.578 1.00 0.00 H new ATOM 0 HB THR A 22 -7.732 -4.808 -2.450 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.185 -6.933 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.658 -5.052 -4.905 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.299 -4.049 -4.344 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.023 -5.747 -4.799 1.00 0.00 H new ATOM 325 N ILE A 23 -4.562 -3.572 -2.868 1.00 0.00 N ATOM 326 CA ILE A 23 -3.950 -2.257 -2.791 1.00 0.00 C ATOM 327 C ILE A 23 -5.035 -1.207 -2.542 1.00 0.00 C ATOM 328 O ILE A 23 -4.889 -0.354 -1.668 1.00 0.00 O ATOM 329 CB ILE A 23 -3.107 -1.985 -4.039 1.00 0.00 C ATOM 330 CG1 ILE A 23 -1.793 -2.767 -3.995 1.00 0.00 C ATOM 331 CG2 ILE A 23 -2.875 -0.484 -4.227 1.00 0.00 C ATOM 332 CD1 ILE A 23 -1.057 -2.527 -2.675 1.00 0.00 C ATOM 0 H ILE A 23 -4.509 -4.014 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.259 -2.208 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.661 -2.337 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.995 -3.831 -4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.159 -2.467 -4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.273 -0.318 -5.121 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.834 0.022 -4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.352 -0.085 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.126 -3.094 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.835 -1.465 -2.570 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.684 -2.851 -1.845 1.00 0.00 H new ATOM 343 N GLU A 24 -6.099 -1.304 -3.326 1.00 0.00 N ATOM 344 CA GLU A 24 -7.209 -0.375 -3.200 1.00 0.00 C ATOM 345 C GLU A 24 -7.746 -0.379 -1.768 1.00 0.00 C ATOM 346 O GLU A 24 -8.386 0.579 -1.338 1.00 0.00 O ATOM 347 CB GLU A 24 -8.317 -0.705 -4.202 1.00 0.00 C ATOM 348 CG GLU A 24 -8.969 -2.050 -3.875 1.00 0.00 C ATOM 349 CD GLU A 24 -10.410 -2.100 -4.386 1.00 0.00 C ATOM 350 OE1 GLU A 24 -11.298 -1.666 -3.622 1.00 0.00 O ATOM 351 OE2 GLU A 24 -10.589 -2.569 -5.531 1.00 0.00 O ATOM 0 H GLU A 24 -6.216 -2.012 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.845 0.627 -3.427 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.071 0.082 -4.188 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.904 -0.733 -5.210 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.391 -2.857 -4.326 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.956 -2.212 -2.797 1.00 0.00 H new ATOM 356 N ASN A 25 -7.465 -1.469 -1.067 1.00 0.00 N ATOM 357 CA ASN A 25 -7.912 -1.610 0.308 1.00 0.00 C ATOM 358 C ASN A 25 -6.949 -0.863 1.232 1.00 0.00 C ATOM 359 O ASN A 25 -7.365 -0.303 2.246 1.00 0.00 O ATOM 360 CB ASN A 25 -7.930 -3.080 0.733 1.00 0.00 C ATOM 361 CG ASN A 25 -9.354 -3.638 0.718 1.00 0.00 C ATOM 362 OD1 ASN A 25 -9.974 -3.854 1.746 1.00 0.00 O ATOM 363 ND2 ASN A 25 -9.837 -3.858 -0.502 1.00 0.00 N ATOM 0 H ASN A 25 -6.933 -2.262 -1.426 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.920 -1.201 0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.300 -3.664 0.062 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.508 -3.178 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.780 -4.229 -0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.264 -3.655 -1.321 1.00 0.00 H new ATOM 369 N VAL A 26 -5.680 -0.877 0.849 1.00 0.00 N ATOM 370 CA VAL A 26 -4.655 -0.207 1.631 1.00 0.00 C ATOM 371 C VAL A 26 -4.828 1.307 1.500 1.00 0.00 C ATOM 372 O VAL A 26 -4.981 2.007 2.500 1.00 0.00 O ATOM 373 CB VAL A 26 -3.269 -0.691 1.199 1.00 0.00 C ATOM 374 CG1 VAL A 26 -2.168 0.067 1.944 1.00 0.00 C ATOM 375 CG2 VAL A 26 -3.127 -2.201 1.401 1.00 0.00 C ATOM 0 H VAL A 26 -5.339 -1.342 0.008 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.757 -0.455 2.688 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.159 -0.484 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.193 -0.296 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.249 1.132 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.276 -0.095 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.133 -2.518 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.268 -2.442 2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.879 -2.720 0.806 1.00 0.00 H new ATOM 385 N LYS A 27 -4.797 1.769 0.259 1.00 0.00 N ATOM 386 CA LYS A 27 -4.948 3.188 -0.017 1.00 0.00 C ATOM 387 C LYS A 27 -6.198 3.709 0.695 1.00 0.00 C ATOM 388 O LYS A 27 -6.166 4.772 1.313 1.00 0.00 O ATOM 389 CB LYS A 27 -4.946 3.444 -1.524 1.00 0.00 C ATOM 390 CG LYS A 27 -3.590 3.091 -2.140 1.00 0.00 C ATOM 391 CD LYS A 27 -3.756 2.559 -3.565 1.00 0.00 C ATOM 392 CE LYS A 27 -3.765 3.705 -4.579 1.00 0.00 C ATOM 393 NZ LYS A 27 -4.775 3.457 -5.631 1.00 0.00 N ATOM 0 H LYS A 27 -4.669 1.185 -0.568 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.099 3.747 0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.729 2.852 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.176 4.492 -1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.950 3.974 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.091 2.343 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.944 1.870 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.685 1.994 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.982 4.645 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.778 3.807 -5.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.768 4.244 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.551 2.570 -6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.717 3.383 -5.197 1.00 0.00 H new ATOM 403 N ALA A 28 -7.269 2.938 0.583 1.00 0.00 N ATOM 404 CA ALA A 28 -8.527 3.311 1.207 1.00 0.00 C ATOM 405 C ALA A 28 -8.277 3.669 2.674 1.00 0.00 C ATOM 406 O ALA A 28 -8.968 4.519 3.234 1.00 0.00 O ATOM 407 CB ALA A 28 -9.533 2.167 1.050 1.00 0.00 C ATOM 0 H ALA A 28 -7.292 2.057 0.070 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.952 4.189 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.477 2.446 1.518 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.697 1.970 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.142 1.270 1.530 1.00 0.00 H new ATOM 413 N LYS A 29 -7.288 3.005 3.253 1.00 0.00 N ATOM 414 CA LYS A 29 -6.939 3.243 4.642 1.00 0.00 C ATOM 415 C LYS A 29 -6.100 4.519 4.740 1.00 0.00 C ATOM 416 O LYS A 29 -6.134 5.212 5.757 1.00 0.00 O ATOM 417 CB LYS A 29 -6.258 2.011 5.242 1.00 0.00 C ATOM 418 CG LYS A 29 -7.285 0.932 5.589 1.00 0.00 C ATOM 419 CD LYS A 29 -6.604 -0.299 6.192 1.00 0.00 C ATOM 420 CE LYS A 29 -7.354 -0.789 7.431 1.00 0.00 C ATOM 421 NZ LYS A 29 -6.409 -1.350 8.422 1.00 0.00 N ATOM 0 H LYS A 29 -6.717 2.302 2.785 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.837 3.404 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.531 1.612 4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.707 2.296 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.013 1.332 6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.834 0.646 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.562 -1.096 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.575 -0.056 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.910 0.036 7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.083 -1.547 7.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.880 -1.426 9.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.100 -2.293 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.582 -0.725 8.505 1.00 0.00 H new ATOM 431 N ILE A 30 -5.367 4.791 3.671 1.00 0.00 N ATOM 432 CA ILE A 30 -4.520 5.971 3.625 1.00 0.00 C ATOM 433 C ILE A 30 -5.396 7.215 3.457 1.00 0.00 C ATOM 434 O ILE A 30 -4.965 8.327 3.759 1.00 0.00 O ATOM 435 CB ILE A 30 -3.450 5.821 2.541 1.00 0.00 C ATOM 436 CG1 ILE A 30 -2.843 4.418 2.561 1.00 0.00 C ATOM 437 CG2 ILE A 30 -2.385 6.911 2.668 1.00 0.00 C ATOM 438 CD1 ILE A 30 -2.220 4.110 3.925 1.00 0.00 C ATOM 0 H ILE A 30 -5.342 4.215 2.830 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.976 6.087 4.563 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.926 5.950 1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.614 3.681 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.084 4.335 1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.637 6.781 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.852 7.890 2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.906 6.839 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.795 3.106 3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.434 4.834 4.138 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.987 4.170 4.697 1.00 0.00 H new ATOM 449 N GLN A 31 -6.609 6.985 2.976 1.00 0.00 N ATOM 450 CA GLN A 31 -7.548 8.073 2.765 1.00 0.00 C ATOM 451 C GLN A 31 -7.964 8.684 4.104 1.00 0.00 C ATOM 452 O GLN A 31 -7.965 9.903 4.261 1.00 0.00 O ATOM 453 CB GLN A 31 -8.771 7.596 1.977 1.00 0.00 C ATOM 454 CG GLN A 31 -8.588 7.847 0.478 1.00 0.00 C ATOM 455 CD GLN A 31 -7.634 6.819 -0.136 1.00 0.00 C ATOM 456 OE1 GLN A 31 -6.362 7.205 -0.156 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -8.028 5.747 -0.564 1.00 0.00 N flip ATOM 0 H GLN A 31 -6.963 6.061 2.727 1.00 0.00 H new ATOM 0 HA GLN A 31 -7.053 8.844 2.175 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.931 6.533 2.155 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.662 8.116 2.331 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.554 7.797 -0.024 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.197 8.852 0.319 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.020 5.513 -0.518 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.366 5.085 -0.968 1.00 0.00 H new ATOM 464 N ASP A 32 -8.307 7.806 5.037 1.00 0.00 N ATOM 465 CA ASP A 32 -8.724 8.244 6.358 1.00 0.00 C ATOM 466 C ASP A 32 -7.491 8.402 7.250 1.00 0.00 C ATOM 467 O ASP A 32 -7.316 9.435 7.895 1.00 0.00 O ATOM 468 CB ASP A 32 -9.651 7.218 7.011 1.00 0.00 C ATOM 469 CG ASP A 32 -10.871 7.808 7.722 1.00 0.00 C ATOM 470 OD1 ASP A 32 -11.564 8.624 7.076 1.00 0.00 O ATOM 471 OD2 ASP A 32 -11.082 7.429 8.894 1.00 0.00 O ATOM 0 H ASP A 32 -8.304 6.795 4.904 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.254 9.190 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.996 6.524 6.245 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.075 6.637 7.732 1.00 0.00 H new ATOM 475 N LYS A 33 -6.668 7.364 7.259 1.00 0.00 N ATOM 476 CA LYS A 33 -5.458 7.375 8.062 1.00 0.00 C ATOM 477 C LYS A 33 -4.859 8.783 8.055 1.00 0.00 C ATOM 478 O LYS A 33 -4.680 9.389 9.110 1.00 0.00 O ATOM 479 CB LYS A 33 -4.487 6.292 7.583 1.00 0.00 C ATOM 480 CG LYS A 33 -4.945 4.905 8.037 1.00 0.00 C ATOM 481 CD LYS A 33 -4.584 4.661 9.503 1.00 0.00 C ATOM 482 CE LYS A 33 -5.796 4.882 10.411 1.00 0.00 C ATOM 483 NZ LYS A 33 -6.170 3.622 11.090 1.00 0.00 N ATOM 0 H LYS A 33 -6.816 6.509 6.722 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.687 7.130 9.099 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.416 6.317 6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.489 6.495 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.023 4.812 7.904 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.480 4.142 7.412 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.214 3.643 9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.777 5.331 9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.568 5.648 11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.637 5.249 9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.994 3.789 11.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.408 2.902 10.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.372 3.289 11.667 1.00 0.00 H new ATOM 493 N GLU A 34 -4.567 9.262 6.855 1.00 0.00 N ATOM 494 CA GLU A 34 -3.993 10.587 6.698 1.00 0.00 C ATOM 495 C GLU A 34 -5.102 11.633 6.563 1.00 0.00 C ATOM 496 O GLU A 34 -5.145 12.600 7.322 1.00 0.00 O ATOM 497 CB GLU A 34 -3.044 10.636 5.499 1.00 0.00 C ATOM 498 CG GLU A 34 -1.606 10.902 5.948 1.00 0.00 C ATOM 499 CD GLU A 34 -1.260 12.388 5.825 1.00 0.00 C ATOM 500 OE1 GLU A 34 -1.487 12.933 4.724 1.00 0.00 O ATOM 501 OE2 GLU A 34 -0.775 12.942 6.834 1.00 0.00 O ATOM 0 H GLU A 34 -4.717 8.756 5.982 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.410 10.817 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.090 9.692 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.364 11.417 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.478 10.579 6.981 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.917 10.313 5.342 1.00 0.00 H new ATOM 506 N GLY A 35 -5.971 11.405 5.589 1.00 0.00 N ATOM 507 CA GLY A 35 -7.077 12.315 5.345 1.00 0.00 C ATOM 508 C GLY A 35 -6.957 12.964 3.964 1.00 0.00 C ATOM 509 O GLY A 35 -7.365 14.109 3.775 1.00 0.00 O ATOM 0 H GLY A 35 -5.931 10.603 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.021 11.774 5.416 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.094 13.087 6.114 1.00 0.00 H new ATOM 513 N ILE A 36 -6.396 12.204 3.034 1.00 0.00 N ATOM 514 CA ILE A 36 -6.217 12.691 1.677 1.00 0.00 C ATOM 515 C ILE A 36 -6.995 11.793 0.712 1.00 0.00 C ATOM 516 O ILE A 36 -7.144 10.597 0.955 1.00 0.00 O ATOM 517 CB ILE A 36 -4.730 12.811 1.342 1.00 0.00 C ATOM 518 CG1 ILE A 36 -4.157 14.134 1.855 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.488 12.625 -0.157 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.317 13.915 3.115 1.00 0.00 C ATOM 0 H ILE A 36 -6.060 11.254 3.194 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.624 13.697 1.576 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.199 12.009 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.544 14.594 1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.970 14.827 2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.422 12.715 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.836 11.638 -0.462 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.033 13.389 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.921 14.871 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.939 13.478 3.896 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.491 13.241 2.889 1.00 0.00 H new ATOM 531 N PRO A 37 -7.481 12.421 -0.392 1.00 0.00 N ATOM 532 CA PRO A 37 -8.239 11.692 -1.395 1.00 0.00 C ATOM 533 C PRO A 37 -7.318 10.823 -2.253 1.00 0.00 C ATOM 534 O PRO A 37 -6.135 11.124 -2.402 1.00 0.00 O ATOM 535 CB PRO A 37 -8.961 12.763 -2.197 1.00 0.00 C ATOM 536 CG PRO A 37 -8.225 14.063 -1.916 1.00 0.00 C ATOM 537 CD PRO A 37 -7.323 13.837 -0.713 1.00 0.00 C ATOM 0 HA PRO A 37 -8.951 10.992 -0.958 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.948 12.529 -3.262 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.007 12.835 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.637 14.364 -2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -8.933 14.867 -1.717 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.285 14.077 -0.945 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.616 14.468 0.126 1.00 0.00 H new ATOM 542 N PRO A 38 -7.911 9.733 -2.810 1.00 0.00 N ATOM 543 CA PRO A 38 -7.157 8.817 -3.650 1.00 0.00 C ATOM 544 C PRO A 38 -6.899 9.426 -5.030 1.00 0.00 C ATOM 545 O PRO A 38 -6.300 8.785 -5.892 1.00 0.00 O ATOM 546 CB PRO A 38 -7.997 7.552 -3.705 1.00 0.00 C ATOM 547 CG PRO A 38 -9.398 7.963 -3.283 1.00 0.00 C ATOM 548 CD PRO A 38 -9.309 9.345 -2.656 1.00 0.00 C ATOM 0 HA PRO A 38 -6.164 8.602 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.000 7.129 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.597 6.788 -3.038 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.067 7.976 -4.143 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.808 7.246 -2.571 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.973 10.050 -3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.600 9.323 -1.606 1.00 0.00 H new ATOM 553 N ASP A 39 -7.364 10.655 -5.196 1.00 0.00 N ATOM 554 CA ASP A 39 -7.191 11.356 -6.457 1.00 0.00 C ATOM 555 C ASP A 39 -5.715 11.713 -6.638 1.00 0.00 C ATOM 556 O ASP A 39 -5.245 11.875 -7.764 1.00 0.00 O ATOM 557 CB ASP A 39 -7.999 12.655 -6.479 1.00 0.00 C ATOM 558 CG ASP A 39 -9.498 12.481 -6.732 1.00 0.00 C ATOM 559 OD1 ASP A 39 -10.223 12.287 -5.732 1.00 0.00 O ATOM 560 OD2 ASP A 39 -9.884 12.546 -7.919 1.00 0.00 O ATOM 0 H ASP A 39 -7.860 11.184 -4.479 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.537 10.702 -7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.864 13.165 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.589 13.307 -7.250 1.00 0.00 H new ATOM 564 N GLN A 40 -5.024 11.827 -5.513 1.00 0.00 N ATOM 565 CA GLN A 40 -3.611 12.162 -5.534 1.00 0.00 C ATOM 566 C GLN A 40 -2.787 11.030 -4.919 1.00 0.00 C ATOM 567 O GLN A 40 -1.611 10.865 -5.241 1.00 0.00 O ATOM 568 CB GLN A 40 -3.350 13.484 -4.812 1.00 0.00 C ATOM 569 CG GLN A 40 -4.280 14.584 -5.327 1.00 0.00 C ATOM 570 CD GLN A 40 -4.824 15.429 -4.173 1.00 0.00 C ATOM 571 OE1 GLN A 40 -5.511 14.734 -3.272 1.00 0.00 O flip ATOM 572 NE2 GLN A 40 -4.633 16.632 -4.106 1.00 0.00 N flip ATOM 0 H GLN A 40 -5.417 11.693 -4.581 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.303 12.286 -6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.496 13.352 -3.740 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.312 13.783 -4.958 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.741 15.222 -6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.108 14.137 -5.877 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.096 17.104 -4.833 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -5.011 17.165 -3.323 1.00 0.00 H new ATOM 579 N GLN A 41 -3.437 10.276 -4.044 1.00 0.00 N ATOM 580 CA GLN A 41 -2.779 9.163 -3.380 1.00 0.00 C ATOM 581 C GLN A 41 -2.141 8.231 -4.412 1.00 0.00 C ATOM 582 O GLN A 41 -2.651 8.087 -5.522 1.00 0.00 O ATOM 583 CB GLN A 41 -3.760 8.402 -2.486 1.00 0.00 C ATOM 584 CG GLN A 41 -4.416 9.338 -1.470 1.00 0.00 C ATOM 585 CD GLN A 41 -3.954 9.013 -0.046 1.00 0.00 C ATOM 586 OE1 GLN A 41 -2.899 8.442 0.176 1.00 0.00 O ATOM 587 NE2 GLN A 41 -4.802 9.406 0.900 1.00 0.00 N ATOM 0 H GLN A 41 -4.412 10.414 -3.780 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.990 9.560 -2.742 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.527 7.931 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.236 7.602 -1.963 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.168 10.372 -1.710 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.500 9.247 -1.534 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.668 9.879 0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.586 9.234 1.882 1.00 0.00 H new ATOM 594 N ARG A 42 -1.035 7.622 -4.010 1.00 0.00 N ATOM 595 CA ARG A 42 -0.323 6.708 -4.886 1.00 0.00 C ATOM 596 C ARG A 42 0.596 5.798 -4.068 1.00 0.00 C ATOM 597 O ARG A 42 1.679 6.210 -3.658 1.00 0.00 O ATOM 598 CB ARG A 42 0.512 7.472 -5.916 1.00 0.00 C ATOM 599 CG ARG A 42 0.541 6.733 -7.255 1.00 0.00 C ATOM 600 CD ARG A 42 1.980 6.475 -7.707 1.00 0.00 C ATOM 601 NE ARG A 42 2.387 7.491 -8.702 1.00 0.00 N ATOM 602 CZ ARG A 42 3.410 7.340 -9.555 1.00 0.00 C ATOM 603 NH1 ARG A 42 4.135 6.214 -9.539 1.00 0.00 N ATOM 604 NH2 ARG A 42 3.708 8.316 -10.423 1.00 0.00 N ATOM 0 H ARG A 42 -0.615 7.744 -3.089 1.00 0.00 H new ATOM 0 HA ARG A 42 -1.064 6.105 -5.411 1.00 0.00 H new ATOM 0 HB2 ARG A 42 0.098 8.470 -6.057 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.529 7.598 -5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.009 5.786 -7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.018 7.320 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.651 6.506 -6.848 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.061 5.478 -8.139 1.00 0.00 H new ATOM 0 HE ARG A 42 1.856 8.361 -8.742 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.909 5.471 -8.878 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.913 6.099 -10.188 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.156 9.174 -10.435 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.486 8.201 -11.072 1.00 0.00 H new ATOM 615 N LEU A 43 0.129 4.576 -3.856 1.00 0.00 N ATOM 616 CA LEU A 43 0.895 3.603 -3.096 1.00 0.00 C ATOM 617 C LEU A 43 1.976 2.998 -3.992 1.00 0.00 C ATOM 618 O LEU A 43 1.681 2.507 -5.081 1.00 0.00 O ATOM 619 CB LEU A 43 -0.035 2.564 -2.465 1.00 0.00 C ATOM 620 CG LEU A 43 0.332 2.106 -1.052 1.00 0.00 C ATOM 621 CD1 LEU A 43 0.663 3.301 -0.156 1.00 0.00 C ATOM 622 CD2 LEU A 43 -0.772 1.230 -0.455 1.00 0.00 C ATOM 0 H LEU A 43 -0.771 4.238 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 43 1.406 4.087 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.044 2.975 -2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.063 1.688 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 43 1.231 1.493 -1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.920 2.947 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.507 3.848 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.202 3.961 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.486 0.918 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.701 1.798 -0.408 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.916 0.349 -1.081 1.00 0.00 H new ATOM 633 N ILE A 44 3.205 3.052 -3.502 1.00 0.00 N ATOM 634 CA ILE A 44 4.332 2.515 -4.246 1.00 0.00 C ATOM 635 C ILE A 44 5.130 1.572 -3.344 1.00 0.00 C ATOM 636 O ILE A 44 5.567 1.963 -2.262 1.00 0.00 O ATOM 637 CB ILE A 44 5.169 3.648 -4.844 1.00 0.00 C ATOM 638 CG1 ILE A 44 4.611 4.083 -6.200 1.00 0.00 C ATOM 639 CG2 ILE A 44 6.644 3.253 -4.931 1.00 0.00 C ATOM 640 CD1 ILE A 44 5.377 3.421 -7.347 1.00 0.00 C ATOM 0 H ILE A 44 3.446 3.459 -2.598 1.00 0.00 H new ATOM 0 HA ILE A 44 3.982 1.926 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 44 5.106 4.509 -4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.555 3.820 -6.264 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.676 5.167 -6.293 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.216 4.076 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.020 3.030 -3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.748 2.371 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.960 3.748 -8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.428 3.705 -7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.290 2.338 -7.265 1.00 0.00 H new ATOM 651 N PHE A 45 5.297 0.347 -3.821 1.00 0.00 N ATOM 652 CA PHE A 45 6.035 -0.655 -3.071 1.00 0.00 C ATOM 653 C PHE A 45 7.320 -1.051 -3.802 1.00 0.00 C ATOM 654 O PHE A 45 7.313 -1.238 -5.018 1.00 0.00 O ATOM 655 CB PHE A 45 5.129 -1.883 -2.954 1.00 0.00 C ATOM 656 CG PHE A 45 5.635 -2.937 -1.967 1.00 0.00 C ATOM 657 CD1 PHE A 45 5.977 -2.575 -0.702 1.00 0.00 C ATOM 658 CD2 PHE A 45 5.742 -4.236 -2.355 1.00 0.00 C ATOM 659 CE1 PHE A 45 6.446 -3.553 0.215 1.00 0.00 C ATOM 660 CE2 PHE A 45 6.212 -5.214 -1.439 1.00 0.00 C ATOM 661 CZ PHE A 45 6.554 -4.852 -0.173 1.00 0.00 C ATOM 0 H PHE A 45 4.934 0.026 -4.718 1.00 0.00 H new ATOM 0 HA PHE A 45 6.312 -0.259 -2.094 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.134 -1.560 -2.647 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.026 -2.341 -3.938 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.892 -1.543 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.470 -4.524 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.717 -3.265 1.220 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.298 -6.245 -1.747 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.911 -5.596 0.524 1.00 0.00 H new ATOM 670 N ALA A 46 8.389 -1.167 -3.029 1.00 0.00 N ATOM 671 CA ALA A 46 9.679 -1.537 -3.588 1.00 0.00 C ATOM 672 C ALA A 46 9.878 -0.816 -4.923 1.00 0.00 C ATOM 673 O ALA A 46 10.246 -1.437 -5.919 1.00 0.00 O ATOM 674 CB ALA A 46 9.756 -3.058 -3.730 1.00 0.00 C ATOM 0 H ALA A 46 8.389 -1.012 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 46 10.487 -1.230 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.723 -3.336 -4.149 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.638 -3.521 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.961 -3.402 -4.392 1.00 0.00 H new ATOM 680 N GLY A 47 9.625 0.484 -4.900 1.00 0.00 N ATOM 681 CA GLY A 47 9.771 1.296 -6.096 1.00 0.00 C ATOM 682 C GLY A 47 9.105 0.625 -7.299 1.00 0.00 C ATOM 683 O GLY A 47 9.711 0.508 -8.364 1.00 0.00 O ATOM 0 H GLY A 47 9.320 0.995 -4.072 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.326 2.277 -5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.829 1.456 -6.304 1.00 0.00 H new ATOM 687 N LYS A 48 7.867 0.202 -7.089 1.00 0.00 N ATOM 688 CA LYS A 48 7.112 -0.454 -8.144 1.00 0.00 C ATOM 689 C LYS A 48 5.658 0.021 -8.094 1.00 0.00 C ATOM 690 O LYS A 48 5.081 0.155 -7.016 1.00 0.00 O ATOM 691 CB LYS A 48 7.267 -1.973 -8.047 1.00 0.00 C ATOM 692 CG LYS A 48 6.052 -2.687 -8.646 1.00 0.00 C ATOM 693 CD LYS A 48 6.366 -4.156 -8.931 1.00 0.00 C ATOM 694 CE LYS A 48 6.529 -4.945 -7.629 1.00 0.00 C ATOM 695 NZ LYS A 48 6.781 -6.375 -7.917 1.00 0.00 N ATOM 0 H LYS A 48 7.368 0.300 -6.205 1.00 0.00 H new ATOM 0 HA LYS A 48 7.504 -0.179 -9.123 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.171 -2.284 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.387 -2.264 -7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.209 -2.618 -7.958 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.752 -2.190 -9.568 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.566 -4.593 -9.528 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.280 -4.228 -9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.355 -4.534 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.630 -4.843 -7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.889 -6.895 -7.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.980 -6.768 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.651 -6.468 -8.479 1.00 0.00 H new ATOM 705 N GLN A 49 5.107 0.261 -9.275 1.00 0.00 N ATOM 706 CA GLN A 49 3.732 0.718 -9.380 1.00 0.00 C ATOM 707 C GLN A 49 2.779 -0.329 -8.798 1.00 0.00 C ATOM 708 O GLN A 49 2.965 -1.526 -9.008 1.00 0.00 O ATOM 709 CB GLN A 49 3.371 1.041 -10.831 1.00 0.00 C ATOM 710 CG GLN A 49 2.184 2.004 -10.899 1.00 0.00 C ATOM 711 CD GLN A 49 2.420 3.093 -11.948 1.00 0.00 C ATOM 712 OE1 GLN A 49 2.933 2.849 -13.028 1.00 0.00 O ATOM 713 NE2 GLN A 49 2.020 4.303 -11.571 1.00 0.00 N ATOM 0 H GLN A 49 5.588 0.147 -10.167 1.00 0.00 H new ATOM 0 HA GLN A 49 3.629 1.636 -8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.231 1.482 -11.334 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.128 0.121 -11.363 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.276 1.451 -11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.027 2.463 -9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.598 4.437 -10.652 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.135 5.097 -12.200 1.00 0.00 H new ATOM 720 N LEU A 50 1.780 0.162 -8.079 1.00 0.00 N ATOM 721 CA LEU A 50 0.798 -0.716 -7.465 1.00 0.00 C ATOM 722 C LEU A 50 -0.550 -0.534 -8.165 1.00 0.00 C ATOM 723 O LEU A 50 -0.796 0.499 -8.786 1.00 0.00 O ATOM 724 CB LEU A 50 0.744 -0.484 -5.953 1.00 0.00 C ATOM 725 CG LEU A 50 1.500 -1.497 -5.092 1.00 0.00 C ATOM 726 CD1 LEU A 50 2.727 -2.037 -5.830 1.00 0.00 C ATOM 727 CD2 LEU A 50 1.868 -0.896 -3.734 1.00 0.00 C ATOM 0 H LEU A 50 1.629 1.156 -7.908 1.00 0.00 H new ATOM 0 HA LEU A 50 1.085 -1.760 -7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.141 0.509 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.301 -0.481 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 50 0.840 -2.343 -4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.246 -2.755 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.411 -2.528 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.399 -1.213 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.405 -1.637 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.502 -0.022 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.960 -0.600 -3.209 1.00 0.00 H new ATOM 738 N GLU A 51 -1.387 -1.552 -8.040 1.00 0.00 N ATOM 739 CA GLU A 51 -2.705 -1.518 -8.652 1.00 0.00 C ATOM 740 C GLU A 51 -3.711 -2.282 -7.790 1.00 0.00 C ATOM 741 O GLU A 51 -3.324 -3.085 -6.941 1.00 0.00 O ATOM 742 CB GLU A 51 -2.663 -2.079 -10.074 1.00 0.00 C ATOM 743 CG GLU A 51 -2.315 -3.569 -10.066 1.00 0.00 C ATOM 744 CD GLU A 51 -2.900 -4.276 -11.290 1.00 0.00 C ATOM 745 OE1 GLU A 51 -3.987 -3.843 -11.729 1.00 0.00 O ATOM 746 OE2 GLU A 51 -2.247 -5.233 -11.758 1.00 0.00 O ATOM 0 H GLU A 51 -1.179 -2.407 -7.524 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.028 -0.479 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.629 -1.930 -10.556 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.926 -1.533 -10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.232 -3.693 -10.053 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.700 -4.031 -9.157 1.00 0.00 H new ATOM 751 N ASP A 52 -4.983 -2.006 -8.036 1.00 0.00 N ATOM 752 CA ASP A 52 -6.048 -2.658 -7.293 1.00 0.00 C ATOM 753 C ASP A 52 -6.269 -4.064 -7.854 1.00 0.00 C ATOM 754 O ASP A 52 -6.927 -4.891 -7.225 1.00 0.00 O ATOM 755 CB ASP A 52 -7.363 -1.886 -7.424 1.00 0.00 C ATOM 756 CG ASP A 52 -7.943 -1.831 -8.838 1.00 0.00 C ATOM 757 OD1 ASP A 52 -7.557 -2.703 -9.645 1.00 0.00 O ATOM 758 OD2 ASP A 52 -8.759 -0.915 -9.082 1.00 0.00 O ATOM 0 H ASP A 52 -5.300 -1.339 -8.740 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.753 -2.695 -6.244 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.101 -2.340 -6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.205 -0.866 -7.073 1.00 0.00 H new ATOM 762 N GLY A 53 -5.706 -4.292 -9.032 1.00 0.00 N ATOM 763 CA GLY A 53 -5.832 -5.584 -9.684 1.00 0.00 C ATOM 764 C GLY A 53 -4.835 -6.590 -9.106 1.00 0.00 C ATOM 765 O GLY A 53 -4.920 -7.785 -9.386 1.00 0.00 O ATOM 0 H GLY A 53 -5.162 -3.603 -9.551 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.847 -5.961 -9.560 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.662 -5.473 -10.755 1.00 0.00 H new ATOM 769 N ARG A 54 -3.912 -6.070 -8.310 1.00 0.00 N ATOM 770 CA ARG A 54 -2.899 -6.907 -7.690 1.00 0.00 C ATOM 771 C ARG A 54 -3.247 -7.163 -6.222 1.00 0.00 C ATOM 772 O ARG A 54 -4.358 -6.869 -5.783 1.00 0.00 O ATOM 773 CB ARG A 54 -1.518 -6.255 -7.774 1.00 0.00 C ATOM 774 CG ARG A 54 -0.667 -6.911 -8.862 1.00 0.00 C ATOM 775 CD ARG A 54 0.255 -7.979 -8.268 1.00 0.00 C ATOM 776 NE ARG A 54 0.080 -9.258 -8.992 1.00 0.00 N ATOM 777 CZ ARG A 54 1.008 -10.222 -9.048 1.00 0.00 C ATOM 778 NH1 ARG A 54 2.182 -10.060 -8.422 1.00 0.00 N ATOM 779 NH2 ARG A 54 0.762 -11.350 -9.728 1.00 0.00 N ATOM 0 H ARG A 54 -3.845 -5.079 -8.080 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.874 -7.853 -8.231 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.627 -5.191 -7.984 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.013 -6.340 -6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.315 -7.362 -9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.071 -6.152 -9.369 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.293 -7.653 -8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.031 -8.117 -7.210 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.803 -9.415 -9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.369 -9.202 -7.903 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.888 -10.794 -8.465 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.132 -11.474 -10.203 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.469 -12.084 -9.771 1.00 0.00 H new ATOM 790 N THR A 55 -2.277 -7.707 -5.503 1.00 0.00 N ATOM 791 CA THR A 55 -2.466 -8.004 -4.093 1.00 0.00 C ATOM 792 C THR A 55 -1.133 -7.924 -3.348 1.00 0.00 C ATOM 793 O THR A 55 -0.070 -7.928 -3.967 1.00 0.00 O ATOM 794 CB THR A 55 -3.141 -9.373 -3.986 1.00 0.00 C ATOM 795 OG1 THR A 55 -2.884 -9.986 -5.246 1.00 0.00 O ATOM 796 CG2 THR A 55 -4.666 -9.271 -3.925 1.00 0.00 C ATOM 0 H THR A 55 -1.357 -7.950 -5.870 1.00 0.00 H new ATOM 0 HA THR A 55 -3.113 -7.268 -3.616 1.00 0.00 H new ATOM 0 HB THR A 55 -2.776 -9.889 -3.098 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.706 -10.941 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.095 -10.270 -3.850 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.957 -8.685 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.035 -8.785 -4.828 1.00 0.00 H new ATOM 804 N LEU A 56 -1.233 -7.852 -2.028 1.00 0.00 N ATOM 805 CA LEU A 56 -0.048 -7.771 -1.191 1.00 0.00 C ATOM 806 C LEU A 56 0.761 -9.062 -1.332 1.00 0.00 C ATOM 807 O LEU A 56 1.960 -9.021 -1.604 1.00 0.00 O ATOM 808 CB LEU A 56 -0.433 -7.441 0.252 1.00 0.00 C ATOM 809 CG LEU A 56 -1.643 -6.522 0.431 1.00 0.00 C ATOM 810 CD1 LEU A 56 -1.771 -6.060 1.884 1.00 0.00 C ATOM 811 CD2 LEU A 56 -1.582 -5.342 -0.543 1.00 0.00 C ATOM 0 H LEU A 56 -2.116 -7.848 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 56 0.595 -6.955 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.631 -8.376 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.425 -6.978 0.739 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.543 -7.090 0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.639 -5.408 1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.893 -6.928 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.873 -5.515 2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.453 -4.703 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.675 -4.766 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.575 -5.715 -1.567 1.00 0.00 H new ATOM 822 N SER A 57 0.073 -10.178 -1.143 1.00 0.00 N ATOM 823 CA SER A 57 0.712 -11.478 -1.245 1.00 0.00 C ATOM 824 C SER A 57 1.262 -11.681 -2.659 1.00 0.00 C ATOM 825 O SER A 57 2.131 -12.523 -2.876 1.00 0.00 O ATOM 826 CB SER A 57 -0.264 -12.601 -0.890 1.00 0.00 C ATOM 827 OG SER A 57 0.291 -13.890 -1.138 1.00 0.00 O ATOM 0 H SER A 57 -0.922 -10.208 -0.920 1.00 0.00 H new ATOM 0 HA SER A 57 1.536 -11.511 -0.532 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.541 -12.522 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.179 -12.483 -1.470 1.00 0.00 H new ATOM 0 HG SER A 57 -0.363 -14.579 -0.897 1.00 0.00 H new ATOM 832 N ASP A 58 0.732 -10.894 -3.584 1.00 0.00 N ATOM 833 CA ASP A 58 1.158 -10.976 -4.970 1.00 0.00 C ATOM 834 C ASP A 58 2.324 -10.011 -5.199 1.00 0.00 C ATOM 835 O ASP A 58 3.217 -10.288 -5.998 1.00 0.00 O ATOM 836 CB ASP A 58 0.025 -10.582 -5.919 1.00 0.00 C ATOM 837 CG ASP A 58 -0.757 -11.755 -6.514 1.00 0.00 C ATOM 838 OD1 ASP A 58 -0.138 -12.830 -6.668 1.00 0.00 O ATOM 839 OD2 ASP A 58 -1.957 -11.550 -6.801 1.00 0.00 O ATOM 0 H ASP A 58 0.011 -10.196 -3.400 1.00 0.00 H new ATOM 0 HA ASP A 58 1.455 -12.005 -5.171 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.670 -9.936 -5.383 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.443 -9.992 -6.735 1.00 0.00 H new ATOM 843 N TYR A 59 2.277 -8.897 -4.483 1.00 0.00 N ATOM 844 CA TYR A 59 3.317 -7.890 -4.598 1.00 0.00 C ATOM 845 C TYR A 59 4.488 -8.202 -3.664 1.00 0.00 C ATOM 846 O TYR A 59 5.359 -7.359 -3.451 1.00 0.00 O ATOM 847 CB TYR A 59 2.675 -6.569 -4.167 1.00 0.00 C ATOM 848 CG TYR A 59 2.022 -5.791 -5.311 1.00 0.00 C ATOM 849 CD1 TYR A 59 2.658 -5.696 -6.532 1.00 0.00 C ATOM 850 CD2 TYR A 59 0.797 -5.185 -5.121 1.00 0.00 C ATOM 851 CE1 TYR A 59 2.042 -4.964 -7.608 1.00 0.00 C ATOM 852 CE2 TYR A 59 0.181 -4.453 -6.199 1.00 0.00 C ATOM 853 CZ TYR A 59 0.834 -4.379 -7.389 1.00 0.00 C ATOM 854 OH TYR A 59 0.254 -3.688 -8.406 1.00 0.00 O ATOM 0 H TYR A 59 1.535 -8.670 -3.821 1.00 0.00 H new ATOM 0 HA TYR A 59 3.705 -7.854 -5.616 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.923 -6.774 -3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.436 -5.942 -3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.617 -6.170 -6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.300 -5.259 -4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.529 -4.881 -8.568 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.778 -3.974 -6.064 1.00 0.00 H new ATOM 0 HH TYR A 59 0.835 -3.718 -9.195 1.00 0.00 H new ATOM 863 N ASN A 60 4.473 -9.415 -3.134 1.00 0.00 N ATOM 864 CA ASN A 60 5.524 -9.850 -2.229 1.00 0.00 C ATOM 865 C ASN A 60 5.427 -9.057 -0.924 1.00 0.00 C ATOM 866 O ASN A 60 6.331 -9.113 -0.092 1.00 0.00 O ATOM 867 CB ASN A 60 6.907 -9.602 -2.832 1.00 0.00 C ATOM 868 CG ASN A 60 8.001 -10.245 -1.977 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.197 -11.450 -1.977 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.701 -9.378 -1.251 1.00 0.00 N ATOM 0 H ASN A 60 3.750 -10.111 -3.313 1.00 0.00 H new ATOM 0 HA ASN A 60 5.395 -10.918 -2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.945 -10.008 -3.843 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.086 -8.530 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.454 -9.709 -0.648 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.485 -8.382 -1.298 1.00 0.00 H new ATOM 876 N ILE A 61 4.323 -8.336 -0.787 1.00 0.00 N ATOM 877 CA ILE A 61 4.097 -7.533 0.402 1.00 0.00 C ATOM 878 C ILE A 61 3.875 -8.457 1.601 1.00 0.00 C ATOM 879 O ILE A 61 3.109 -9.414 1.519 1.00 0.00 O ATOM 880 CB ILE A 61 2.954 -6.542 0.169 1.00 0.00 C ATOM 881 CG1 ILE A 61 3.370 -5.447 -0.813 1.00 0.00 C ATOM 882 CG2 ILE A 61 2.452 -5.964 1.494 1.00 0.00 C ATOM 883 CD1 ILE A 61 2.176 -4.567 -1.192 1.00 0.00 C ATOM 0 H ILE A 61 3.576 -8.292 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 61 4.974 -6.926 0.625 1.00 0.00 H new ATOM 0 HB ILE A 61 2.121 -7.080 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.152 -4.832 -0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.792 -5.900 -1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.640 -5.263 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.090 -6.772 2.130 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.268 -5.445 1.997 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.500 -3.796 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.406 -5.181 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.772 -4.097 -0.296 1.00 0.00 H new ATOM 894 N GLN A 62 4.562 -8.136 2.688 1.00 0.00 N ATOM 895 CA GLN A 62 4.449 -8.925 3.903 1.00 0.00 C ATOM 896 C GLN A 62 4.216 -8.012 5.110 1.00 0.00 C ATOM 897 O GLN A 62 3.656 -6.925 4.971 1.00 0.00 O ATOM 898 CB GLN A 62 5.691 -9.796 4.108 1.00 0.00 C ATOM 899 CG GLN A 62 6.900 -8.945 4.499 1.00 0.00 C ATOM 900 CD GLN A 62 7.793 -9.685 5.497 1.00 0.00 C ATOM 901 OE1 GLN A 62 7.882 -9.340 6.664 1.00 0.00 O ATOM 902 NE2 GLN A 62 8.446 -10.720 4.975 1.00 0.00 N ATOM 0 H GLN A 62 5.198 -7.341 2.752 1.00 0.00 H new ATOM 0 HA GLN A 62 3.591 -9.589 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.496 -10.536 4.884 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.909 -10.345 3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.475 -8.693 3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.562 -8.005 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.326 -10.954 3.990 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.067 -11.279 5.560 1.00 0.00 H new ATOM 909 N LYS A 63 4.657 -8.487 6.264 1.00 0.00 N ATOM 910 CA LYS A 63 4.503 -7.727 7.494 1.00 0.00 C ATOM 911 C LYS A 63 5.625 -6.690 7.592 1.00 0.00 C ATOM 912 O LYS A 63 6.748 -6.944 7.161 1.00 0.00 O ATOM 913 CB LYS A 63 4.429 -8.667 8.699 1.00 0.00 C ATOM 914 CG LYS A 63 5.764 -9.378 8.924 1.00 0.00 C ATOM 915 CD LYS A 63 5.706 -10.825 8.428 1.00 0.00 C ATOM 916 CE LYS A 63 5.552 -11.799 9.598 1.00 0.00 C ATOM 917 NZ LYS A 63 4.646 -12.909 9.232 1.00 0.00 N ATOM 0 H LYS A 63 5.121 -9.389 6.375 1.00 0.00 H new ATOM 0 HA LYS A 63 3.561 -7.179 7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.160 -8.100 9.590 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.642 -9.405 8.541 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.557 -8.843 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.014 -9.363 9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.870 -10.944 7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.614 -11.059 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.527 -12.196 9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.159 -11.273 10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.553 -13.561 10.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.711 -12.527 8.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.037 -13.421 8.416 1.00 0.00 H new ATOM 927 N GLU A 64 5.280 -5.545 8.160 1.00 0.00 N ATOM 928 CA GLU A 64 6.243 -4.468 8.320 1.00 0.00 C ATOM 929 C GLU A 64 6.676 -3.938 6.952 1.00 0.00 C ATOM 930 O GLU A 64 7.707 -3.276 6.838 1.00 0.00 O ATOM 931 CB GLU A 64 7.451 -4.930 9.137 1.00 0.00 C ATOM 932 CG GLU A 64 7.169 -4.831 10.638 1.00 0.00 C ATOM 933 CD GLU A 64 8.459 -4.593 11.424 1.00 0.00 C ATOM 934 OE1 GLU A 64 9.336 -3.889 10.875 1.00 0.00 O ATOM 935 OE2 GLU A 64 8.541 -5.120 12.554 1.00 0.00 O ATOM 0 H GLU A 64 4.347 -5.339 8.516 1.00 0.00 H new ATOM 0 HA GLU A 64 5.765 -3.656 8.868 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.698 -5.959 8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.319 -4.321 8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.469 -4.018 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.693 -5.749 10.983 1.00 0.00 H new ATOM 940 N SER A 65 5.868 -4.247 5.949 1.00 0.00 N ATOM 941 CA SER A 65 6.155 -3.809 4.594 1.00 0.00 C ATOM 942 C SER A 65 5.819 -2.324 4.441 1.00 0.00 C ATOM 943 O SER A 65 4.650 -1.956 4.341 1.00 0.00 O ATOM 944 CB SER A 65 5.377 -4.638 3.570 1.00 0.00 C ATOM 945 OG SER A 65 5.533 -6.037 3.786 1.00 0.00 O ATOM 0 H SER A 65 5.014 -4.796 6.048 1.00 0.00 H new ATOM 0 HA SER A 65 7.219 -3.955 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.320 -4.379 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.718 -4.386 2.566 1.00 0.00 H new ATOM 0 HG SER A 65 6.422 -6.318 3.483 1.00 0.00 H new ATOM 950 N THR A 66 6.866 -1.512 4.428 1.00 0.00 N ATOM 951 CA THR A 66 6.696 -0.075 4.289 1.00 0.00 C ATOM 952 C THR A 66 6.452 0.294 2.825 1.00 0.00 C ATOM 953 O THR A 66 7.237 -0.069 1.950 1.00 0.00 O ATOM 954 CB THR A 66 7.926 0.607 4.891 1.00 0.00 C ATOM 955 OG1 THR A 66 8.089 -0.026 6.157 1.00 0.00 O ATOM 956 CG2 THR A 66 7.671 2.075 5.238 1.00 0.00 C ATOM 0 H THR A 66 7.834 -1.821 4.511 1.00 0.00 H new ATOM 0 HA THR A 66 5.816 0.273 4.830 1.00 0.00 H new ATOM 0 HB THR A 66 8.758 0.539 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.867 0.355 6.616 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.576 2.511 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.394 2.619 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.861 2.142 5.965 1.00 0.00 H new ATOM 964 N LEU A 67 5.359 1.011 2.603 1.00 0.00 N ATOM 965 CA LEU A 67 5.001 1.433 1.260 1.00 0.00 C ATOM 966 C LEU A 67 5.556 2.835 1.005 1.00 0.00 C ATOM 967 O LEU A 67 6.319 3.361 1.816 1.00 0.00 O ATOM 968 CB LEU A 67 3.490 1.321 1.047 1.00 0.00 C ATOM 969 CG LEU A 67 2.917 -0.098 1.036 1.00 0.00 C ATOM 970 CD1 LEU A 67 2.911 -0.675 -0.381 1.00 0.00 C ATOM 971 CD2 LEU A 67 3.667 -0.999 2.018 1.00 0.00 C ATOM 0 H LEU A 67 4.710 1.310 3.331 1.00 0.00 H new ATOM 0 HA LEU A 67 5.453 0.772 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.990 1.887 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.240 1.800 0.100 1.00 0.00 H new ATOM 0 HG LEU A 67 1.880 -0.051 1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.499 -1.684 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.299 -0.046 -1.027 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.931 -0.707 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.240 -2.002 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.720 -1.045 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.577 -0.593 3.026 1.00 0.00 H new ATOM 982 N HIS A 68 5.151 3.403 -0.121 1.00 0.00 N ATOM 983 CA HIS A 68 5.598 4.734 -0.492 1.00 0.00 C ATOM 984 C HIS A 68 4.419 5.536 -1.046 1.00 0.00 C ATOM 985 O HIS A 68 3.917 5.239 -2.130 1.00 0.00 O ATOM 986 CB HIS A 68 6.776 4.661 -1.465 1.00 0.00 C ATOM 987 CG HIS A 68 8.088 4.295 -0.816 1.00 0.00 C ATOM 988 ND1 HIS A 68 8.438 3.216 -0.059 1.00 0.00 N flip ATOM 989 CD2 HIS A 68 9.220 5.087 -0.913 1.00 0.00 C flip ATOM 990 CE1 HIS A 68 9.714 3.341 0.287 1.00 0.00 C flip ATOM 991 NE2 HIS A 68 10.200 4.501 -0.242 1.00 0.00 N flip ATOM 0 H HIS A 68 4.517 2.965 -0.789 1.00 0.00 H new ATOM 0 HA HIS A 68 5.965 5.257 0.391 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.549 3.928 -2.240 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.885 5.626 -1.961 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.291 6.024 -1.446 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.274 2.640 0.888 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.151 4.855 -0.139 1.00 0.00 H new ATOM 998 N LEU A 69 4.011 6.536 -0.279 1.00 0.00 N ATOM 999 CA LEU A 69 2.900 7.383 -0.680 1.00 0.00 C ATOM 1000 C LEU A 69 3.441 8.621 -1.396 1.00 0.00 C ATOM 1001 O LEU A 69 4.181 9.410 -0.808 1.00 0.00 O ATOM 1002 CB LEU A 69 2.012 7.706 0.523 1.00 0.00 C ATOM 1003 CG LEU A 69 0.979 8.815 0.313 1.00 0.00 C ATOM 1004 CD1 LEU A 69 0.305 8.686 -1.054 1.00 0.00 C ATOM 1005 CD2 LEU A 69 -0.041 8.837 1.455 1.00 0.00 C ATOM 0 H LEU A 69 4.430 6.779 0.619 1.00 0.00 H new ATOM 0 HA LEU A 69 2.258 6.860 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.486 6.797 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.653 7.987 1.358 1.00 0.00 H new ATOM 0 HG LEU A 69 1.499 9.773 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.424 9.487 -1.177 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.058 8.757 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.199 7.722 -1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.764 9.634 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.560 7.879 1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.474 9.013 2.399 1.00 0.00 H new ATOM 1016 N VAL A 70 3.053 8.755 -2.656 1.00 0.00 N ATOM 1017 CA VAL A 70 3.489 9.885 -3.458 1.00 0.00 C ATOM 1018 C VAL A 70 2.277 10.515 -4.147 1.00 0.00 C ATOM 1019 O VAL A 70 1.218 9.896 -4.237 1.00 0.00 O ATOM 1020 CB VAL A 70 4.572 9.440 -4.443 1.00 0.00 C ATOM 1021 CG1 VAL A 70 5.893 9.171 -3.720 1.00 0.00 C ATOM 1022 CG2 VAL A 70 4.120 8.212 -5.235 1.00 0.00 C ATOM 0 H VAL A 70 2.441 8.099 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 70 3.938 10.651 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 70 4.737 10.253 -5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.646 8.856 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.227 10.081 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.749 8.384 -2.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.908 7.916 -5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.914 7.391 -4.548 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.216 8.452 -5.794 1.00 0.00 H new ATOM 1032 N LEU A 71 2.472 11.739 -4.615 1.00 0.00 N ATOM 1033 CA LEU A 71 1.408 12.460 -5.293 1.00 0.00 C ATOM 1034 C LEU A 71 1.380 12.052 -6.767 1.00 0.00 C ATOM 1035 O LEU A 71 2.118 11.159 -7.182 1.00 0.00 O ATOM 1036 CB LEU A 71 1.558 13.966 -5.074 1.00 0.00 C ATOM 1037 CG LEU A 71 0.262 14.740 -4.821 1.00 0.00 C ATOM 1038 CD1 LEU A 71 -0.265 14.479 -3.409 1.00 0.00 C ATOM 1039 CD2 LEU A 71 0.453 16.233 -5.095 1.00 0.00 C ATOM 0 H LEU A 71 3.351 12.250 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 71 0.439 12.195 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.224 14.125 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.048 14.393 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.494 14.379 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.186 15.041 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.464 13.414 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.479 14.796 -2.678 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.483 16.760 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.229 16.627 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.749 16.377 -6.134 1.00 0.00 H new ATOM 1050 N ARG A 72 0.521 12.725 -7.519 1.00 0.00 N ATOM 1051 CA ARG A 72 0.388 12.444 -8.937 1.00 0.00 C ATOM 1052 C ARG A 72 0.185 13.743 -9.720 1.00 0.00 C ATOM 1053 O ARG A 72 -0.059 14.795 -9.131 1.00 0.00 O ATOM 1054 CB ARG A 72 -0.793 11.507 -9.205 1.00 0.00 C ATOM 1055 CG ARG A 72 -0.311 10.160 -9.749 1.00 0.00 C ATOM 1056 CD ARG A 72 -1.459 9.150 -9.807 1.00 0.00 C ATOM 1057 NE ARG A 72 -2.357 9.469 -10.939 1.00 0.00 N ATOM 1058 CZ ARG A 72 -2.012 9.351 -12.229 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -0.785 8.921 -12.557 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -2.892 9.663 -13.190 1.00 0.00 N ATOM 0 H ARG A 72 -0.090 13.464 -7.172 1.00 0.00 H new ATOM 0 HA ARG A 72 1.306 11.957 -9.265 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.355 11.351 -8.284 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.474 11.969 -9.920 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.110 10.296 -10.745 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.487 9.773 -9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.062 8.141 -9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.018 9.169 -8.872 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.298 9.799 -10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.115 8.684 -11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.522 8.831 -13.538 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.825 9.991 -12.940 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.629 9.573 -14.171 1.00 0.00 H new ATOM 1071 N LEU A 73 0.295 13.628 -11.035 1.00 0.00 N ATOM 1072 CA LEU A 73 0.126 14.780 -11.904 1.00 0.00 C ATOM 1073 C LEU A 73 -1.139 15.539 -11.499 1.00 0.00 C ATOM 1074 O LEU A 73 -1.883 15.091 -10.627 1.00 0.00 O ATOM 1075 CB LEU A 73 0.144 14.352 -13.372 1.00 0.00 C ATOM 1076 CG LEU A 73 -0.359 12.936 -13.663 1.00 0.00 C ATOM 1077 CD1 LEU A 73 0.789 11.927 -13.622 1.00 0.00 C ATOM 1078 CD2 LEU A 73 -1.495 12.552 -12.713 1.00 0.00 C ATOM 0 H LEU A 73 0.499 12.754 -11.520 1.00 0.00 H new ATOM 0 HA LEU A 73 0.962 15.470 -11.788 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.462 15.056 -13.943 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.166 14.437 -13.742 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.766 12.919 -14.674 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.404 10.929 -13.832 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.535 12.193 -14.371 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.248 11.938 -12.633 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.834 11.542 -12.941 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.138 12.591 -11.684 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.324 13.249 -12.836 1.00 0.00 H new ATOM 1089 N ARG A 74 -1.345 16.672 -12.152 1.00 0.00 N ATOM 1090 CA ARG A 74 -2.509 17.497 -11.871 1.00 0.00 C ATOM 1091 C ARG A 74 -2.835 17.464 -10.377 1.00 0.00 C ATOM 1092 O ARG A 74 -3.691 16.697 -9.941 1.00 0.00 O ATOM 1093 CB ARG A 74 -3.727 17.017 -12.663 1.00 0.00 C ATOM 1094 CG ARG A 74 -3.845 15.492 -12.618 1.00 0.00 C ATOM 1095 CD ARG A 74 -5.046 15.011 -13.433 1.00 0.00 C ATOM 1096 NE ARG A 74 -4.623 13.959 -14.386 1.00 0.00 N ATOM 1097 CZ ARG A 74 -5.455 13.326 -15.224 1.00 0.00 C ATOM 1098 NH1 ARG A 74 -6.759 13.632 -15.232 1.00 0.00 N ATOM 1099 NH2 ARG A 74 -4.982 12.385 -16.053 1.00 0.00 N ATOM 0 H ARG A 74 -0.726 17.039 -12.875 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.273 18.518 -12.172 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.631 17.467 -12.254 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.646 17.349 -13.698 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.932 15.041 -13.008 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.947 15.162 -11.584 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.816 14.621 -12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.487 15.848 -13.975 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.637 13.700 -14.406 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.119 14.347 -14.600 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.392 13.150 -15.870 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -3.989 12.151 -16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.615 11.903 -16.691 1.00 0.00 H new ATOM 1110 N GLY A 75 -2.133 18.307 -9.632 1.00 0.00 N ATOM 1111 CA GLY A 75 -2.337 18.385 -8.196 1.00 0.00 C ATOM 1112 C GLY A 75 -3.446 19.381 -7.852 1.00 0.00 C ATOM 1113 O GLY A 75 -3.270 20.235 -6.985 1.00 0.00 O ATOM 0 H GLY A 75 -1.423 18.941 -9.997 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.595 17.400 -7.808 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.409 18.686 -7.709 1.00 0.00 H new ATOM 1117 N GLY A 76 -4.562 19.241 -8.551 1.00 0.00 N ATOM 1118 CA GLY A 76 -5.698 20.119 -8.331 1.00 0.00 C ATOM 1119 C GLY A 76 -6.856 19.762 -9.266 1.00 0.00 C ATOM 1120 O GLY A 76 -6.673 19.667 -10.478 1.00 0.00 O ATOM 0 H GLY A 76 -4.704 18.532 -9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.026 20.042 -7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.399 21.154 -8.495 1.00 0.00 H new TER 1124 GLY A 76