USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot 114:sc= 1.31 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Set 2.1: A 22 THR OG1 : rot 171:sc= 0.602 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.665 K(o=1.3,f=0.0041) USER MOD Set 3.1: A 7 THR OG1 : rot 107:sc= -0.0838 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.102 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 173:sc= 0.484 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 150:sc= 0.448 USER MOD Single : A 1 MET CE :methyl -113:sc= -0.613 (180deg=-1.24) USER MOD Single : A 1 MET N :NH3+ -165:sc= 2.45 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 1.27 (180deg=1.12) USER MOD Single : A 14 THR OG1 : rot -83:sc= 0.0248 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -111:sc= 1.13 (180deg=0.808) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0795) USER MOD Single : A 40 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.34) USER MOD Single : A 41 GLN : amide:sc= 1.17 K(o=1.2,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ -164:sc= -0.0513 (180deg=-0.499) USER MOD Single : A 49 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.2) USER MOD Single : A 59 TYR OH : rot 15:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 88:sc= 0.696 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.233 K(o=0.23,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.805 -7.223 -5.042 1.00 9.67 N ATOM 2 CA MET A 1 10.876 -7.262 -3.559 1.00 10.38 C ATOM 3 C MET A 1 9.568 -7.523 -2.893 1.00 9.62 C ATOM 4 O MET A 1 8.512 -7.020 -3.227 1.00 9.62 O ATOM 5 CB MET A 1 11.559 -5.930 -3.095 1.00 13.77 C ATOM 6 CG MET A 1 11.785 -5.873 -1.539 1.00 16.29 C ATOM 7 SD MET A 1 12.376 -4.230 -0.967 1.00 17.17 S ATOM 8 CE MET A 1 10.904 -3.282 -1.422 1.00 16.11 C ATOM 0 H1 MET A 1 11.764 -7.293 -5.437 1.00 9.67 H new ATOM 0 H2 MET A 1 10.231 -8.020 -5.383 1.00 9.67 H new ATOM 0 H3 MET A 1 10.370 -6.328 -5.345 1.00 9.67 H new ATOM 0 HA MET A 1 11.474 -8.118 -3.247 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.518 -5.823 -3.601 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.942 -5.085 -3.399 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.851 -6.115 -1.031 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.510 -6.635 -1.253 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.151 -2.592 -2.229 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.121 -3.963 -1.754 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.553 -2.718 -0.558 1.00 16.11 H new ATOM 20 N GLN A 2 9.658 -8.526 -1.973 1.00 9.27 N ATOM 21 CA GLN A 2 8.667 -9.100 -1.209 1.00 9.07 C ATOM 22 C GLN A 2 8.335 -8.230 0.011 1.00 8.72 C ATOM 23 O GLN A 2 9.146 -7.962 0.877 1.00 8.22 O ATOM 24 CB GLN A 2 9.150 -10.488 -0.740 1.00 14.46 C ATOM 25 CG GLN A 2 8.066 -11.365 -0.127 1.00 17.01 C ATOM 26 CD GLN A 2 8.508 -12.742 0.329 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.000 -12.870 1.442 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.398 -13.754 -0.571 1.00 19.49 N ATOM 0 H GLN A 2 10.561 -8.956 -1.775 1.00 9.27 H new ATOM 0 HA GLN A 2 7.763 -9.193 -1.811 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.585 -11.013 -1.590 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.946 -10.352 -0.008 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.641 -10.839 0.728 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.266 -11.485 -0.858 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.977 -13.581 -1.484 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.736 -14.687 -0.334 1.00 19.49 H new ATOM 37 N ILE A 3 7.068 -7.806 0.088 1.00 5.87 N ATOM 38 CA ILE A 3 6.563 -6.943 1.138 1.00 5.07 C ATOM 39 C ILE A 3 5.250 -7.511 1.469 1.00 4.01 C ATOM 40 O ILE A 3 4.629 -8.251 0.692 1.00 4.61 O ATOM 41 CB ILE A 3 6.363 -5.408 0.787 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.417 -5.299 -0.452 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.756 -4.852 0.618 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.063 -3.785 -0.684 1.00 10.83 C ATOM 0 H ILE A 3 6.358 -8.064 -0.597 1.00 5.87 H new ATOM 0 HA ILE A 3 7.307 -6.926 1.935 1.00 5.07 H new ATOM 0 HB ILE A 3 5.865 -4.815 1.554 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.902 -5.713 -1.336 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.509 -5.878 -0.286 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.697 -3.791 0.373 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.314 -4.980 1.546 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.264 -5.383 -0.187 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.403 -3.694 -1.546 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.563 -3.389 0.200 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.978 -3.221 -0.866 1.00 10.83 H new ATOM 56 N PHE A 4 4.743 -7.141 2.673 1.00 4.55 N ATOM 57 CA PHE A 4 3.401 -7.649 3.194 1.00 4.68 C ATOM 58 C PHE A 4 2.439 -6.496 3.468 1.00 5.30 C ATOM 59 O PHE A 4 2.726 -5.506 4.159 1.00 5.58 O ATOM 60 CB PHE A 4 3.548 -8.520 4.414 1.00 4.83 C ATOM 61 CG PHE A 4 4.687 -9.516 4.424 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.595 -10.485 3.433 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.667 -9.591 5.343 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.568 -11.483 3.292 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.640 -10.531 5.212 1.00 10.61 C ATOM 66 CZ PHE A 4 6.632 -11.495 4.195 1.00 8.90 C ATOM 0 H PHE A 4 5.219 -6.502 3.310 1.00 4.55 H new ATOM 0 HA PHE A 4 2.979 -8.270 2.404 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.662 -7.869 5.281 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.617 -9.071 4.549 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.754 -10.469 2.756 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.680 -8.908 6.180 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.497 -12.222 2.507 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.454 -10.535 5.922 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.424 -12.224 4.113 1.00 8.90 H new ATOM 76 N VAL A 5 1.174 -6.532 2.930 1.00 4.44 N ATOM 77 CA VAL A 5 0.140 -5.584 3.291 1.00 3.87 C ATOM 78 C VAL A 5 -0.899 -6.336 4.094 1.00 4.93 C ATOM 79 O VAL A 5 -1.505 -7.284 3.625 1.00 6.84 O ATOM 80 CB VAL A 5 -0.330 -4.798 2.076 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.393 -3.835 2.549 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.936 -4.080 1.403 1.00 9.13 C ATOM 0 H VAL A 5 0.877 -7.225 2.243 1.00 4.44 H new ATOM 0 HA VAL A 5 0.495 -4.785 3.942 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.769 -5.431 1.305 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.757 -3.251 1.704 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.220 -4.393 2.987 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.970 -3.165 3.298 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.611 -3.513 0.530 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.397 -3.405 2.124 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.661 -4.834 1.097 1.00 9.13 H new ATOM 92 N LYS A 6 -1.081 -5.885 5.354 1.00 6.04 N ATOM 93 CA LYS A 6 -2.060 -6.397 6.321 1.00 6.12 C ATOM 94 C LYS A 6 -3.409 -5.653 6.248 1.00 6.57 C ATOM 95 O LYS A 6 -3.477 -4.454 6.502 1.00 5.76 O ATOM 96 CB LYS A 6 -1.438 -6.186 7.685 1.00 7.45 C ATOM 97 CG LYS A 6 -2.182 -6.819 8.897 1.00 11.12 C ATOM 98 CD LYS A 6 -1.963 -8.340 8.869 1.00 14.54 C ATOM 99 CE LYS A 6 -0.608 -8.794 9.444 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.461 -10.254 9.625 1.00 20.55 N ATOM 0 H LYS A 6 -0.523 -5.121 5.735 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.279 -7.444 6.111 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.424 -6.585 7.662 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.355 -5.113 7.859 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.807 -6.400 9.831 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.246 -6.589 8.849 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.763 -8.821 9.431 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -2.043 -8.688 7.839 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.185 -8.444 8.783 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.458 -8.307 10.408 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.517 -10.473 9.902 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.112 -10.579 10.368 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.685 -10.739 8.732 1.00 20.55 H new ATOM 114 N THR A 7 -4.547 -6.293 5.814 1.00 7.41 N ATOM 115 CA THR A 7 -5.817 -5.656 5.434 1.00 7.48 C ATOM 116 C THR A 7 -6.669 -5.392 6.697 1.00 8.75 C ATOM 117 O THR A 7 -6.393 -5.914 7.750 1.00 8.58 O ATOM 118 CB THR A 7 -6.616 -6.290 4.312 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.182 -7.546 4.593 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.680 -6.490 3.158 1.00 9.17 C ATOM 0 H THR A 7 -4.585 -7.308 5.723 1.00 7.41 H new ATOM 0 HA THR A 7 -5.520 -4.715 4.970 1.00 7.48 H new ATOM 0 HB THR A 7 -7.449 -5.613 4.123 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.150 -7.449 4.714 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.219 -6.946 2.327 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.278 -5.527 2.845 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.862 -7.143 3.462 1.00 9.17 H new ATOM 128 N LEU A 8 -7.630 -4.495 6.526 1.00 9.84 N ATOM 129 CA LEU A 8 -8.679 -4.193 7.485 1.00 14.15 C ATOM 130 C LEU A 8 -9.368 -5.423 7.978 1.00 17.37 C ATOM 131 O LEU A 8 -9.671 -5.552 9.160 1.00 17.01 O ATOM 132 CB LEU A 8 -9.634 -3.109 6.892 1.00 16.63 C ATOM 133 CG LEU A 8 -10.718 -2.653 7.832 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.123 -2.130 9.146 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.549 -1.491 7.184 1.00 18.59 C ATOM 0 H LEU A 8 -7.701 -3.934 5.677 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.234 -3.766 8.384 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.041 -2.244 6.594 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.097 -3.505 5.988 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.357 -3.513 8.032 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.928 -1.807 9.807 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.553 -2.924 9.629 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.465 -1.287 8.937 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.329 -1.172 7.875 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.890 -0.650 6.967 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.006 -1.842 6.259 1.00 18.59 H new ATOM 147 N THR A 9 -9.582 -6.443 7.133 1.00 18.33 N ATOM 148 CA THR A 9 -10.170 -7.730 7.433 1.00 19.24 C ATOM 149 C THR A 9 -9.147 -8.708 7.863 1.00 19.48 C ATOM 150 O THR A 9 -9.548 -9.853 8.073 1.00 23.14 O ATOM 151 CB THR A 9 -11.021 -8.342 6.247 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.297 -8.041 5.059 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.322 -7.489 6.164 1.00 19.70 C ATOM 0 H THR A 9 -9.323 -6.370 6.149 1.00 18.33 H new ATOM 0 HA THR A 9 -10.861 -7.535 8.254 1.00 19.24 H new ATOM 0 HB THR A 9 -11.217 -9.406 6.376 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.777 -8.399 4.284 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.953 -7.866 5.359 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.861 -7.555 7.109 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.063 -6.449 5.966 1.00 19.70 H new ATOM 161 N GLY A 10 -7.836 -8.346 8.136 1.00 19.43 N ATOM 162 CA GLY A 10 -6.779 -9.272 8.633 1.00 18.74 C ATOM 163 C GLY A 10 -6.125 -10.186 7.693 1.00 17.62 C ATOM 164 O GLY A 10 -5.371 -11.056 8.124 1.00 19.74 O ATOM 0 H GLY A 10 -7.498 -7.392 8.011 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.001 -8.663 9.093 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.220 -9.877 9.425 1.00 18.74 H new ATOM 168 N LYS A 11 -6.362 -10.037 6.348 1.00 13.56 N ATOM 169 CA LYS A 11 -5.718 -10.778 5.305 1.00 11.91 C ATOM 170 C LYS A 11 -4.326 -10.191 5.062 1.00 10.18 C ATOM 171 O LYS A 11 -4.171 -8.996 4.914 1.00 9.10 O ATOM 172 CB LYS A 11 -6.643 -10.761 4.103 1.00 13.43 C ATOM 173 CG LYS A 11 -6.179 -11.731 2.993 1.00 16.69 C ATOM 174 CD LYS A 11 -7.075 -11.707 1.765 1.00 17.92 C ATOM 175 CE LYS A 11 -6.501 -12.681 0.743 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.343 -12.544 -0.463 1.00 21.93 N ATOM 0 H LYS A 11 -7.038 -9.363 5.990 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.546 -11.824 5.561 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.651 -11.029 4.419 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.694 -9.749 3.701 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.161 -11.475 2.698 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.149 -12.744 3.394 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.093 -11.990 2.031 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.123 -10.701 1.348 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.460 -12.446 0.521 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.524 -13.703 1.121 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.886 -13.028 -1.262 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.275 -12.971 -0.286 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -7.462 -11.536 -0.691 1.00 21.93 H new ATOM 190 N THR A 12 -3.321 -11.038 5.069 1.00 9.63 N ATOM 191 CA THR A 12 -1.964 -10.627 4.675 1.00 9.85 C ATOM 192 C THR A 12 -1.807 -10.878 3.232 1.00 11.66 C ATOM 193 O THR A 12 -1.723 -12.049 2.792 1.00 12.33 O ATOM 194 CB THR A 12 -0.834 -11.259 5.476 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.197 -11.335 6.876 1.00 10.91 O ATOM 196 CG2 THR A 12 0.417 -10.521 5.304 1.00 9.63 C ATOM 0 H THR A 12 -3.403 -12.018 5.341 1.00 9.63 H new ATOM 0 HA THR A 12 -1.874 -9.565 4.903 1.00 9.85 H new ATOM 0 HB THR A 12 -0.674 -12.269 5.100 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.758 -12.109 7.286 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.204 -10.998 5.889 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.697 -10.520 4.251 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.283 -9.494 5.644 1.00 9.63 H new ATOM 204 N ILE A 13 -1.729 -9.803 2.394 1.00 10.42 N ATOM 205 CA ILE A 13 -1.382 -9.909 1.025 1.00 11.84 C ATOM 206 C ILE A 13 0.124 -9.729 0.918 1.00 10.55 C ATOM 207 O ILE A 13 0.765 -8.884 1.556 1.00 11.92 O ATOM 208 CB ILE A 13 -2.247 -9.081 0.062 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.217 -7.536 0.197 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.714 -9.600 0.066 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.064 -6.750 -0.817 1.00 16.46 C ATOM 0 H ILE A 13 -1.915 -8.847 2.696 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.630 -10.905 0.658 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.763 -9.247 -0.900 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.552 -7.273 1.200 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.182 -7.204 0.109 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.313 -9.003 -0.621 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.732 -10.643 -0.250 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.126 -9.518 1.072 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -2.964 -5.682 -0.624 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.719 -6.970 -1.827 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.110 -7.040 -0.719 1.00 16.46 H new ATOM 223 N THR A 14 0.728 -10.520 0.069 1.00 9.39 N ATOM 224 CA THR A 14 2.213 -10.530 -0.184 1.00 9.63 C ATOM 225 C THR A 14 2.407 -9.926 -1.593 1.00 11.20 C ATOM 226 O THR A 14 2.192 -10.647 -2.577 1.00 11.63 O ATOM 227 CB THR A 14 2.959 -11.803 -0.195 1.00 10.38 C ATOM 228 OG1 THR A 14 2.767 -12.470 1.027 1.00 16.30 O ATOM 229 CG2 THR A 14 4.498 -11.571 -0.353 1.00 11.66 C ATOM 0 H THR A 14 0.223 -11.203 -0.496 1.00 9.39 H new ATOM 0 HA THR A 14 2.619 -9.997 0.676 1.00 9.63 H new ATOM 0 HB THR A 14 2.588 -12.386 -1.038 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.390 -12.115 1.695 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.012 -12.532 -0.357 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.693 -11.051 -1.291 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.862 -10.968 0.479 1.00 11.66 H new ATOM 237 N LEU A 15 2.938 -8.633 -1.736 1.00 8.29 N ATOM 238 CA LEU A 15 3.103 -7.994 -2.993 1.00 9.03 C ATOM 239 C LEU A 15 4.538 -8.160 -3.609 1.00 8.59 C ATOM 240 O LEU A 15 5.573 -8.255 -2.907 1.00 7.79 O ATOM 241 CB LEU A 15 2.747 -6.490 -2.922 1.00 11.08 C ATOM 242 CG LEU A 15 1.480 -6.172 -2.158 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.303 -4.624 -2.097 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.316 -6.834 -2.890 1.00 15.27 C ATOM 0 H LEU A 15 3.242 -8.065 -0.945 1.00 8.29 H new ATOM 0 HA LEU A 15 2.405 -8.506 -3.656 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.577 -5.956 -2.459 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.648 -6.106 -3.937 1.00 11.08 H new ATOM 0 HG LEU A 15 1.522 -6.549 -1.136 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.392 -4.383 -1.548 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.160 -4.179 -1.591 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.233 -4.226 -3.109 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.614 -6.622 -2.362 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.254 -6.442 -3.905 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.475 -7.912 -2.927 1.00 15.27 H new ATOM 256 N GLU A 16 4.630 -8.129 -4.950 1.00 11.04 N ATOM 257 CA GLU A 16 5.961 -8.036 -5.534 1.00 11.50 C ATOM 258 C GLU A 16 6.204 -6.753 -6.373 1.00 10.13 C ATOM 259 O GLU A 16 5.630 -6.503 -7.396 1.00 9.83 O ATOM 260 CB GLU A 16 6.129 -9.256 -6.559 1.00 17.22 C ATOM 261 CG GLU A 16 7.539 -9.474 -7.162 1.00 23.33 C ATOM 262 CD GLU A 16 8.587 -9.920 -6.194 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.286 -10.876 -5.426 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.683 -9.310 -6.173 1.00 28.86 O ATOM 0 H GLU A 16 3.850 -8.165 -5.606 1.00 11.04 H new ATOM 0 HA GLU A 16 6.661 -8.037 -4.698 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.833 -10.172 -6.048 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.428 -9.108 -7.380 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.465 -10.215 -7.958 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.867 -8.542 -7.623 1.00 23.33 H new ATOM 271 N VAL A 17 7.015 -5.961 -5.734 1.00 8.99 N ATOM 272 CA VAL A 17 7.247 -4.589 -6.169 1.00 8.85 C ATOM 273 C VAL A 17 8.673 -4.243 -6.135 1.00 8.04 C ATOM 274 O VAL A 17 9.429 -4.964 -5.458 1.00 8.99 O ATOM 275 CB VAL A 17 6.581 -3.545 -5.259 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.055 -3.655 -5.385 1.00 12.05 C ATOM 277 CG2 VAL A 17 6.954 -3.568 -3.793 1.00 10.54 C ATOM 0 H VAL A 17 7.537 -6.233 -4.901 1.00 8.99 H new ATOM 0 HA VAL A 17 6.829 -4.560 -7.175 1.00 8.85 H new ATOM 0 HB VAL A 17 6.971 -2.595 -5.625 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.582 -2.915 -4.740 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.761 -3.475 -6.419 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.736 -4.653 -5.086 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.413 -2.781 -3.268 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.692 -4.536 -3.366 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.026 -3.404 -3.688 1.00 10.54 H new ATOM 287 N GLU A 18 9.192 -3.282 -6.940 1.00 7.29 N ATOM 288 CA GLU A 18 10.609 -2.858 -6.813 1.00 7.08 C ATOM 289 C GLU A 18 10.739 -1.660 -5.842 1.00 6.45 C ATOM 290 O GLU A 18 9.735 -1.064 -5.520 1.00 5.28 O ATOM 291 CB GLU A 18 11.192 -2.438 -8.193 1.00 10.28 C ATOM 292 CG GLU A 18 10.911 -3.433 -9.265 1.00 12.65 C ATOM 293 CD GLU A 18 11.575 -3.076 -10.556 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.067 -2.179 -11.348 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.628 -3.719 -10.934 1.00 18.17 O ATOM 0 H GLU A 18 8.666 -2.797 -7.667 1.00 7.29 H new ATOM 0 HA GLU A 18 11.166 -3.711 -6.425 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.774 -1.473 -8.480 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.270 -2.304 -8.101 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.252 -4.417 -8.943 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.834 -3.503 -9.420 1.00 12.65 H new ATOM 302 N PRO A 19 11.783 -1.249 -5.344 1.00 7.24 N ATOM 303 CA PRO A 19 11.906 -0.105 -4.429 1.00 7.07 C ATOM 304 C PRO A 19 11.653 1.258 -5.118 1.00 6.65 C ATOM 305 O PRO A 19 11.423 2.293 -4.492 1.00 6.37 O ATOM 306 CB PRO A 19 13.397 -0.166 -3.929 1.00 7.61 C ATOM 307 CG PRO A 19 13.664 -1.698 -4.003 1.00 8.16 C ATOM 308 CD PRO A 19 12.987 -2.110 -5.301 1.00 7.49 C ATOM 0 HA PRO A 19 11.163 -0.172 -3.634 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.072 0.403 -4.569 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.511 0.225 -2.918 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.731 -1.920 -4.018 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.242 -2.222 -3.145 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.633 -1.942 -6.163 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.725 -3.168 -5.300 1.00 7.49 H new ATOM 316 N SER A 20 11.693 1.311 -6.493 1.00 6.80 N ATOM 317 CA SER A 20 11.362 2.474 -7.311 1.00 6.28 C ATOM 318 C SER A 20 9.989 2.398 -7.930 1.00 8.45 C ATOM 319 O SER A 20 9.663 3.097 -8.868 1.00 7.26 O ATOM 320 CB SER A 20 12.311 2.541 -8.508 1.00 8.57 C ATOM 321 OG SER A 20 13.656 2.673 -8.071 1.00 11.13 O ATOM 0 H SER A 20 11.969 0.505 -7.055 1.00 6.80 H new ATOM 0 HA SER A 20 11.429 3.328 -6.638 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.206 1.641 -9.113 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.045 3.385 -9.144 1.00 8.57 H new ATOM 0 HG SER A 20 14.250 2.713 -8.849 1.00 11.13 H new ATOM 327 N ASP A 21 9.180 1.527 -7.366 1.00 7.50 N ATOM 328 CA ASP A 21 7.730 1.492 -7.746 1.00 7.70 C ATOM 329 C ASP A 21 7.125 2.516 -6.929 1.00 7.08 C ATOM 330 O ASP A 21 7.449 2.736 -5.800 1.00 8.11 O ATOM 331 CB ASP A 21 7.155 0.094 -7.512 1.00 11.00 C ATOM 332 CG ASP A 21 7.559 -0.945 -8.533 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.229 -0.582 -9.517 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.063 -2.115 -8.442 1.00 18.03 O ATOM 0 H ASP A 21 9.461 0.843 -6.663 1.00 7.50 H new ATOM 0 HA ASP A 21 7.543 1.688 -8.802 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.465 -0.249 -6.525 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.067 0.163 -7.498 1.00 11.00 H new ATOM 339 N THR A 22 6.132 3.315 -7.502 1.00 5.37 N ATOM 340 CA THR A 22 5.402 4.399 -6.831 1.00 6.01 C ATOM 341 C THR A 22 4.194 3.835 -6.035 1.00 8.01 C ATOM 342 O THR A 22 3.696 2.806 -6.445 1.00 8.11 O ATOM 343 CB THR A 22 4.753 5.427 -7.721 1.00 8.92 C ATOM 344 OG1 THR A 22 4.104 4.769 -8.758 1.00 10.22 O ATOM 345 CG2 THR A 22 5.803 6.391 -8.373 1.00 9.65 C ATOM 0 H THR A 22 5.836 3.190 -8.470 1.00 5.37 H new ATOM 0 HA THR A 22 6.191 4.863 -6.239 1.00 6.01 H new ATOM 0 HB THR A 22 4.070 6.011 -7.104 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.558 5.409 -9.261 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.289 7.115 -9.006 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.349 6.917 -7.590 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.502 5.813 -8.977 1.00 9.65 H new ATOM 353 N ILE A 23 3.715 4.493 -4.942 1.00 8.32 N ATOM 354 CA ILE A 23 2.628 3.997 -4.127 1.00 9.92 C ATOM 355 C ILE A 23 1.323 3.776 -4.933 1.00 10.01 C ATOM 356 O ILE A 23 0.579 2.802 -4.768 1.00 8.71 O ATOM 357 CB ILE A 23 2.385 4.956 -2.958 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.657 5.202 -2.126 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.130 4.508 -2.144 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.154 3.983 -1.322 1.00 12.30 C ATOM 0 H ILE A 23 4.091 5.385 -4.621 1.00 8.32 H new ATOM 0 HA ILE A 23 2.923 3.019 -3.748 1.00 9.92 H new ATOM 0 HB ILE A 23 2.147 5.945 -3.350 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.454 5.527 -2.795 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.468 6.023 -1.434 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.968 5.198 -1.316 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.255 4.510 -2.794 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.290 3.503 -1.753 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.053 4.254 -0.769 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.379 3.668 -0.623 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.381 3.165 -2.005 1.00 12.30 H new ATOM 372 N GLU A 24 1.046 4.603 -5.932 1.00 9.54 N ATOM 373 CA GLU A 24 0.063 4.530 -6.955 1.00 11.81 C ATOM 374 C GLU A 24 0.135 3.278 -7.797 1.00 11.14 C ATOM 375 O GLU A 24 -0.906 2.679 -8.088 1.00 10.62 O ATOM 376 CB GLU A 24 0.311 5.695 -7.933 1.00 19.24 C ATOM 377 CG GLU A 24 -0.718 5.767 -9.090 1.00 27.76 C ATOM 378 CD GLU A 24 -0.261 6.779 -10.100 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.594 7.995 -9.896 1.00 34.80 O ATOM 380 OE2 GLU A 24 0.439 6.386 -11.059 1.00 36.51 O ATOM 0 H GLU A 24 1.597 5.455 -6.039 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.902 4.553 -6.449 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.288 6.634 -7.379 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.312 5.598 -8.354 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.823 4.789 -9.560 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.699 6.041 -8.702 1.00 27.76 H new ATOM 387 N ASN A 25 1.331 2.778 -8.160 1.00 9.43 N ATOM 388 CA ASN A 25 1.496 1.484 -8.889 1.00 10.96 C ATOM 389 C ASN A 25 1.327 0.319 -7.948 1.00 9.68 C ATOM 390 O ASN A 25 0.911 -0.776 -8.276 1.00 9.33 O ATOM 391 CB ASN A 25 2.735 1.305 -9.719 1.00 16.78 C ATOM 392 CG ASN A 25 2.625 2.055 -11.057 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.226 1.405 -12.011 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.091 3.315 -11.141 1.00 24.70 N ATOM 0 H ASN A 25 2.214 3.249 -7.962 1.00 9.43 H new ATOM 0 HA ASN A 25 0.698 1.519 -9.631 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.601 1.669 -9.166 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.899 0.244 -9.907 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.127 3.786 -12.045 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.408 3.798 -10.301 1.00 24.70 H new ATOM 401 N VAL A 26 1.608 0.548 -6.682 1.00 6.52 N ATOM 402 CA VAL A 26 1.429 -0.489 -5.682 1.00 5.53 C ATOM 403 C VAL A 26 -0.048 -0.796 -5.420 1.00 4.42 C ATOM 404 O VAL A 26 -0.501 -1.946 -5.320 1.00 3.40 O ATOM 405 CB VAL A 26 2.229 -0.300 -4.379 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.030 -1.447 -3.410 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.683 -0.085 -4.789 1.00 8.12 C ATOM 0 H VAL A 26 1.959 1.435 -6.321 1.00 6.52 H new ATOM 0 HA VAL A 26 1.876 -1.373 -6.137 1.00 5.53 H new ATOM 0 HB VAL A 26 1.874 0.567 -3.822 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.614 -1.267 -2.508 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.974 -1.524 -3.149 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.358 -2.377 -3.875 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.295 0.055 -3.898 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.038 -0.956 -5.340 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.756 0.800 -5.422 1.00 8.12 H new ATOM 417 N LYS A 27 -0.916 0.225 -5.497 1.00 2.64 N ATOM 418 CA LYS A 27 -2.364 0.196 -5.406 1.00 4.14 C ATOM 419 C LYS A 27 -3.068 -0.527 -6.494 1.00 5.58 C ATOM 420 O LYS A 27 -4.136 -1.106 -6.206 1.00 4.11 O ATOM 421 CB LYS A 27 -2.962 1.567 -5.096 1.00 3.97 C ATOM 422 CG LYS A 27 -2.515 2.133 -3.721 1.00 7.45 C ATOM 423 CD LYS A 27 -3.288 3.419 -3.365 1.00 9.02 C ATOM 424 CE LYS A 27 -3.132 3.977 -1.959 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.793 5.285 -1.828 1.00 15.47 N ATOM 0 H LYS A 27 -0.578 1.177 -5.638 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.557 -0.434 -4.538 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.675 2.267 -5.880 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.049 1.495 -5.116 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.677 1.383 -2.947 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.446 2.343 -3.742 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.987 4.196 -4.068 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.348 3.230 -3.534 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.557 3.278 -1.239 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.073 4.076 -1.720 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.074 6.027 -1.712 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.355 5.477 -2.682 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.418 5.276 -0.997 1.00 15.47 H new ATOM 439 N ALA A 28 -2.498 -0.442 -7.699 1.00 6.61 N ATOM 440 CA ALA A 28 -2.860 -1.197 -8.887 1.00 7.74 C ATOM 441 C ALA A 28 -2.661 -2.664 -8.733 1.00 9.17 C ATOM 442 O ALA A 28 -3.421 -3.486 -9.222 1.00 11.45 O ATOM 443 CB ALA A 28 -2.159 -0.634 -10.106 1.00 7.68 C ATOM 0 H ALA A 28 -1.723 0.198 -7.875 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.933 -1.077 -9.034 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.441 -1.211 -10.987 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.451 0.407 -10.245 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.080 -0.692 -9.964 1.00 7.68 H new ATOM 449 N LYS A 29 -1.587 -2.998 -8.061 1.00 8.96 N ATOM 450 CA LYS A 29 -1.211 -4.388 -7.644 1.00 7.90 C ATOM 451 C LYS A 29 -2.195 -4.873 -6.527 1.00 6.92 C ATOM 452 O LYS A 29 -2.703 -6.009 -6.614 1.00 6.87 O ATOM 453 CB LYS A 29 0.317 -4.424 -7.202 1.00 10.28 C ATOM 454 CG LYS A 29 1.292 -5.053 -8.164 1.00 14.94 C ATOM 455 CD LYS A 29 1.360 -4.200 -9.467 1.00 19.69 C ATOM 456 CE LYS A 29 2.276 -4.695 -10.624 1.00 22.63 C ATOM 457 NZ LYS A 29 3.613 -5.014 -10.140 1.00 24.98 N ATOM 0 H LYS A 29 -0.902 -2.303 -7.762 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.306 -5.084 -8.478 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.640 -3.400 -7.014 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.383 -4.958 -6.254 1.00 10.28 H new ATOM 0 HG2 LYS A 29 2.280 -5.118 -7.707 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.982 -6.071 -8.399 1.00 14.94 H new ATOM 0 HD2 LYS A 29 0.347 -4.111 -9.859 1.00 19.69 H new ATOM 0 HD3 LYS A 29 1.685 -3.197 -9.191 1.00 19.69 H new ATOM 0 HE2 LYS A 29 1.835 -5.577 -11.088 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.339 -3.927 -11.395 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.201 -5.341 -10.933 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.041 -4.165 -9.719 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.553 -5.764 -9.422 1.00 24.98 H new ATOM 471 N ILE A 30 -2.467 -4.067 -5.468 1.00 4.57 N ATOM 472 CA ILE A 30 -3.453 -4.475 -4.515 1.00 5.58 C ATOM 473 C ILE A 30 -4.870 -4.629 -5.129 1.00 7.26 C ATOM 474 O ILE A 30 -5.595 -5.570 -4.858 1.00 9.46 O ATOM 475 CB ILE A 30 -3.487 -3.487 -3.354 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.127 -3.506 -2.584 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.715 -3.625 -2.429 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.942 -2.376 -1.548 1.00 2.00 C ATOM 0 H ILE A 30 -2.020 -3.169 -5.282 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.161 -5.463 -4.159 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.615 -2.497 -3.791 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.030 -4.464 -2.074 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.316 -3.448 -3.310 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.656 -2.883 -1.632 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.625 -3.465 -3.007 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.732 -4.624 -1.994 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.968 -2.477 -1.069 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.001 -1.410 -2.049 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.726 -2.442 -0.794 1.00 2.00 H new ATOM 490 N GLN A 31 -5.267 -3.746 -6.053 1.00 7.06 N ATOM 491 CA GLN A 31 -6.500 -3.832 -6.875 1.00 8.67 C ATOM 492 C GLN A 31 -6.535 -5.140 -7.738 1.00 10.90 C ATOM 493 O GLN A 31 -7.546 -5.824 -7.840 1.00 9.63 O ATOM 494 CB GLN A 31 -6.751 -2.556 -7.632 1.00 9.12 C ATOM 495 CG GLN A 31 -8.172 -2.440 -8.181 1.00 10.76 C ATOM 496 CD GLN A 31 -8.142 -1.387 -9.305 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.099 -0.879 -9.747 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.353 -1.011 -9.787 1.00 14.76 N ATOM 0 H GLN A 31 -4.720 -2.912 -6.265 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.356 -3.927 -6.208 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.554 -1.709 -6.975 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.044 -2.489 -8.459 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.516 -3.401 -8.563 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.865 -2.143 -7.394 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.203 -1.435 -9.416 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.413 -0.304 -10.520 1.00 14.76 H new ATOM 507 N ASP A 32 -5.344 -5.526 -8.294 1.00 10.93 N ATOM 508 CA ASP A 32 -5.225 -6.815 -8.980 1.00 14.01 C ATOM 509 C ASP A 32 -5.518 -8.005 -8.064 1.00 14.04 C ATOM 510 O ASP A 32 -6.264 -8.893 -8.392 1.00 13.39 O ATOM 511 CB ASP A 32 -3.774 -6.960 -9.504 1.00 18.01 C ATOM 512 CG ASP A 32 -3.647 -7.881 -10.707 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.337 -7.671 -11.742 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.811 -8.816 -10.573 1.00 26.29 O ATOM 0 H ASP A 32 -4.489 -4.970 -8.273 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.959 -6.824 -9.786 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.393 -5.974 -9.771 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.143 -7.338 -8.700 1.00 18.01 H new ATOM 519 N LYS A 33 -5.037 -8.041 -6.778 1.00 14.22 N ATOM 520 CA LYS A 33 -5.288 -9.128 -5.827 1.00 14.00 C ATOM 521 C LYS A 33 -6.634 -9.048 -5.200 1.00 12.37 C ATOM 522 O LYS A 33 -7.434 -9.953 -5.236 1.00 12.17 O ATOM 523 CB LYS A 33 -4.235 -9.209 -4.730 1.00 18.62 C ATOM 524 CG LYS A 33 -2.827 -9.755 -5.165 1.00 24.00 C ATOM 525 CD LYS A 33 -1.963 -9.910 -3.919 1.00 27.61 C ATOM 526 CE LYS A 33 -0.489 -10.308 -4.227 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.462 -11.585 -4.943 1.00 30.06 N ATOM 0 H LYS A 33 -4.459 -7.296 -6.389 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.236 -10.035 -6.430 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.102 -8.213 -4.308 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.618 -9.845 -3.932 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.933 -10.713 -5.674 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.356 -9.070 -5.870 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.969 -8.972 -3.364 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.407 -10.666 -3.271 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.011 -9.534 -4.827 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.078 -10.388 -3.299 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.524 -11.890 -5.072 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.977 -12.302 -4.393 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.914 -11.471 -5.873 1.00 30.06 H new ATOM 541 N GLU A 34 -6.979 -7.896 -4.580 1.00 10.11 N ATOM 542 CA GLU A 34 -8.197 -7.765 -3.806 1.00 10.07 C ATOM 543 C GLU A 34 -9.364 -6.940 -4.415 1.00 9.32 C ATOM 544 O GLU A 34 -10.424 -6.831 -3.852 1.00 11.61 O ATOM 545 CB GLU A 34 -7.707 -6.984 -2.558 1.00 14.77 C ATOM 546 CG GLU A 34 -6.757 -7.722 -1.554 1.00 18.75 C ATOM 547 CD GLU A 34 -7.465 -8.964 -1.149 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.473 -8.871 -0.364 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.072 -10.089 -1.539 1.00 21.95 O ATOM 0 H GLU A 34 -6.414 -7.047 -4.612 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.624 -8.760 -3.678 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.194 -6.087 -2.906 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.586 -6.654 -2.004 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.801 -7.954 -2.022 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.544 -7.096 -0.688 1.00 18.75 H new ATOM 556 N GLY A 35 -9.145 -6.247 -5.568 1.00 7.22 N ATOM 557 CA GLY A 35 -10.269 -5.576 -6.254 1.00 6.29 C ATOM 558 C GLY A 35 -10.674 -4.244 -5.609 1.00 6.93 C ATOM 559 O GLY A 35 -11.578 -3.622 -6.128 1.00 7.41 O ATOM 0 H GLY A 35 -8.237 -6.144 -6.021 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.995 -5.398 -7.294 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.130 -6.244 -6.261 1.00 6.29 H new ATOM 563 N ILE A 36 -10.088 -3.824 -4.495 1.00 5.86 N ATOM 564 CA ILE A 36 -10.369 -2.557 -3.858 1.00 6.07 C ATOM 565 C ILE A 36 -9.855 -1.382 -4.759 1.00 6.36 C ATOM 566 O ILE A 36 -8.685 -1.412 -5.091 1.00 6.18 O ATOM 567 CB ILE A 36 -9.835 -2.460 -2.436 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.341 -3.611 -1.523 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.068 -1.030 -1.840 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.786 -3.689 -0.182 1.00 9.49 C ATOM 0 H ILE A 36 -9.386 -4.375 -4.001 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.452 -2.479 -3.757 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.755 -2.602 -2.480 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.424 -3.521 -1.436 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.139 -4.556 -2.028 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.676 -0.991 -0.824 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.554 -0.291 -2.455 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.136 -0.811 -1.826 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.225 -4.536 0.345 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.706 -3.820 -0.242 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.010 -2.770 0.359 1.00 9.49 H new ATOM 582 N PRO A 37 -10.711 -0.461 -5.248 1.00 8.65 N ATOM 583 CA PRO A 37 -10.330 0.770 -6.000 1.00 9.18 C ATOM 584 C PRO A 37 -9.125 1.539 -5.353 1.00 9.85 C ATOM 585 O PRO A 37 -9.253 1.840 -4.172 1.00 8.51 O ATOM 586 CB PRO A 37 -11.620 1.609 -6.010 1.00 11.42 C ATOM 587 CG PRO A 37 -12.670 0.502 -6.004 1.00 9.27 C ATOM 588 CD PRO A 37 -12.084 -0.555 -5.088 1.00 8.33 C ATOM 0 HA PRO A 37 -9.971 0.538 -7.003 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.698 2.260 -5.139 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.694 2.246 -6.891 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.629 0.864 -5.634 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.843 0.110 -7.006 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.372 -0.380 -4.051 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.443 -1.549 -5.355 1.00 8.33 H new ATOM 596 N PRO A 38 -8.124 1.977 -6.046 1.00 8.71 N ATOM 597 CA PRO A 38 -6.971 2.744 -5.439 1.00 9.08 C ATOM 598 C PRO A 38 -7.225 3.978 -4.553 1.00 9.28 C ATOM 599 O PRO A 38 -6.341 4.376 -3.787 1.00 6.50 O ATOM 600 CB PRO A 38 -6.053 3.016 -6.674 1.00 10.31 C ATOM 601 CG PRO A 38 -6.333 1.725 -7.466 1.00 10.81 C ATOM 602 CD PRO A 38 -7.842 1.533 -7.421 1.00 12.00 C ATOM 0 HA PRO A 38 -6.533 2.141 -4.644 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.336 3.916 -7.220 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.003 3.125 -6.403 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.980 1.812 -8.494 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.817 0.874 -7.022 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.360 2.136 -8.167 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -8.134 0.497 -7.591 1.00 12.00 H new ATOM 610 N ASP A 39 -8.424 4.619 -4.714 1.00 11.20 N ATOM 611 CA ASP A 39 -8.730 5.773 -3.944 1.00 14.96 C ATOM 612 C ASP A 39 -9.719 5.406 -2.825 1.00 13.99 C ATOM 613 O ASP A 39 -10.040 6.197 -2.007 1.00 13.75 O ATOM 614 CB ASP A 39 -9.393 6.792 -4.937 1.00 24.16 C ATOM 615 CG ASP A 39 -8.552 7.146 -6.096 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.522 7.865 -5.842 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.852 6.820 -7.252 1.00 34.22 O ATOM 0 H ASP A 39 -9.152 4.330 -5.367 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.840 6.194 -3.476 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.331 6.371 -5.299 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.642 7.703 -4.392 1.00 24.16 H new ATOM 622 N GLN A 40 -10.162 4.112 -2.830 1.00 11.60 N ATOM 623 CA GLN A 40 -10.715 3.492 -1.703 1.00 10.76 C ATOM 624 C GLN A 40 -9.620 2.813 -0.888 1.00 8.01 C ATOM 625 O GLN A 40 -9.883 2.150 0.106 1.00 8.96 O ATOM 626 CB GLN A 40 -11.858 2.553 -1.995 1.00 11.14 C ATOM 627 CG GLN A 40 -13.159 3.237 -2.383 1.00 14.85 C ATOM 628 CD GLN A 40 -14.269 2.167 -2.377 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.445 1.414 -1.405 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.999 1.997 -3.503 1.00 18.16 N ATOM 0 H GLN A 40 -10.121 3.510 -3.652 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.167 4.288 -1.112 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.562 1.882 -2.801 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.037 1.935 -1.115 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.395 4.037 -1.681 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.072 3.693 -3.369 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.856 2.615 -4.302 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.693 1.251 -3.553 1.00 18.16 H new ATOM 639 N GLN A 41 -8.372 2.908 -1.342 1.00 6.52 N ATOM 640 CA GLN A 41 -7.274 2.310 -0.546 1.00 3.87 C ATOM 641 C GLN A 41 -6.527 3.299 0.278 1.00 4.79 C ATOM 642 O GLN A 41 -5.807 4.119 -0.321 1.00 6.34 O ATOM 643 CB GLN A 41 -6.211 1.654 -1.404 1.00 4.20 C ATOM 644 CG GLN A 41 -6.770 0.374 -2.064 1.00 3.20 C ATOM 645 CD GLN A 41 -5.634 -0.362 -2.857 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.485 -0.342 -2.449 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.033 -0.910 -3.999 1.00 7.13 N ATOM 0 H GLN A 41 -8.092 3.366 -2.209 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.800 1.588 0.079 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.873 2.350 -2.172 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.342 1.407 -0.794 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.180 -0.288 -1.302 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.588 0.630 -2.738 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.018 -0.880 -4.262 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.354 -1.361 -4.613 1.00 7.13 H new ATOM 656 N ARG A 42 -6.619 3.188 1.597 1.00 5.73 N ATOM 657 CA ARG A 42 -5.752 3.910 2.548 1.00 6.97 C ATOM 658 C ARG A 42 -4.580 3.101 3.063 1.00 7.15 C ATOM 659 O ARG A 42 -4.780 1.976 3.521 1.00 7.33 O ATOM 660 CB ARG A 42 -6.510 4.679 3.701 1.00 13.23 C ATOM 661 CG ARG A 42 -5.565 5.348 4.784 1.00 21.27 C ATOM 662 CD ARG A 42 -6.177 6.456 5.684 1.00 26.14 C ATOM 663 NE ARG A 42 -6.395 7.705 4.923 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.569 8.174 4.489 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.666 7.470 4.582 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.588 9.501 4.091 1.00 36.39 N ATOM 0 H ARG A 42 -7.305 2.587 2.053 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.323 4.695 1.926 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.133 5.454 3.254 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -7.180 3.982 4.204 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.186 4.559 5.433 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.706 5.773 4.264 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.124 6.110 6.098 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.513 6.652 6.526 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.569 8.263 4.708 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.640 6.537 4.994 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.548 7.853 4.242 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.736 10.060 4.139 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.454 9.919 3.750 1.00 36.39 H new ATOM 680 N LEU A 43 -3.298 3.552 2.920 1.00 4.65 N ATOM 681 CA LEU A 43 -2.136 2.805 3.328 1.00 3.51 C ATOM 682 C LEU A 43 -1.283 3.477 4.374 1.00 5.56 C ATOM 683 O LEU A 43 -0.833 4.610 4.236 1.00 4.19 O ATOM 684 CB LEU A 43 -1.191 2.525 2.134 1.00 3.74 C ATOM 685 CG LEU A 43 -1.800 1.746 0.945 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.791 1.606 -0.203 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.409 0.429 1.392 1.00 6.41 C ATOM 0 H LEU A 43 -3.073 4.459 2.510 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.565 1.895 3.747 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.818 3.479 1.762 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.330 1.968 2.503 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.630 2.327 0.542 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.248 1.054 -1.024 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.496 2.596 -0.551 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.089 1.069 0.150 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.827 -0.090 0.529 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.639 -0.191 1.850 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.199 0.621 2.118 1.00 6.41 H new ATOM 699 N ILE A 44 -1.007 2.734 5.480 1.00 4.58 N ATOM 700 CA ILE A 44 -0.308 3.170 6.691 1.00 5.55 C ATOM 701 C ILE A 44 0.834 2.247 7.073 1.00 5.46 C ATOM 702 O ILE A 44 0.658 1.040 7.331 1.00 6.04 O ATOM 703 CB ILE A 44 -1.226 3.423 7.904 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.322 4.400 7.580 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.413 3.895 9.147 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.471 4.408 8.538 1.00 13.90 C ATOM 0 H ILE A 44 -1.290 1.756 5.540 1.00 4.58 H new ATOM 0 HA ILE A 44 0.109 4.138 6.415 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.695 2.470 8.151 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.894 5.402 7.542 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.702 4.178 6.583 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.092 4.064 9.983 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.314 3.129 9.419 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.108 4.822 8.910 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.207 5.145 8.217 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.932 3.421 8.561 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.112 4.664 9.535 1.00 13.90 H new ATOM 718 N PHE A 45 2.023 2.768 7.225 1.00 6.75 N ATOM 719 CA PHE A 45 3.233 2.048 7.514 1.00 4.70 C ATOM 720 C PHE A 45 3.822 2.695 8.715 1.00 6.34 C ATOM 721 O PHE A 45 4.367 3.796 8.631 1.00 5.45 O ATOM 722 CB PHE A 45 4.095 2.080 6.293 1.00 5.51 C ATOM 723 CG PHE A 45 5.429 1.454 6.422 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.607 0.167 6.958 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.577 2.030 5.930 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.871 -0.419 7.137 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.850 1.492 6.088 1.00 6.64 C ATOM 728 CZ PHE A 45 8.006 0.280 6.721 1.00 6.84 C ATOM 0 H PHE A 45 2.181 3.772 7.145 1.00 6.75 H new ATOM 0 HA PHE A 45 3.088 0.993 7.745 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.560 1.585 5.482 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.231 3.120 5.996 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.732 -0.397 7.245 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.484 2.959 5.387 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.964 -1.395 7.589 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.713 2.024 5.715 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.992 -0.125 6.894 1.00 6.84 H new ATOM 738 N ALA A 46 3.710 2.115 9.942 1.00 6.53 N ATOM 739 CA ALA A 46 4.286 2.640 11.151 1.00 7.15 C ATOM 740 C ALA A 46 3.757 4.001 11.435 1.00 9.00 C ATOM 741 O ALA A 46 4.447 4.970 11.752 1.00 11.15 O ATOM 742 CB ALA A 46 5.859 2.675 11.197 1.00 8.99 C ATOM 0 H ALA A 46 3.197 1.246 10.091 1.00 6.53 H new ATOM 0 HA ALA A 46 3.984 1.930 11.921 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.186 3.088 12.151 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.249 1.663 11.087 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.233 3.298 10.385 1.00 8.99 H new ATOM 748 N GLY A 47 2.458 4.119 11.280 1.00 9.35 N ATOM 749 CA GLY A 47 1.787 5.427 11.388 1.00 11.68 C ATOM 750 C GLY A 47 1.879 6.467 10.334 1.00 11.14 C ATOM 751 O GLY A 47 1.231 7.508 10.405 1.00 13.93 O ATOM 0 H GLY A 47 1.833 3.338 11.079 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.726 5.221 11.529 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.147 5.886 12.309 1.00 11.68 H new ATOM 755 N LYS A 48 2.583 6.195 9.228 1.00 10.47 N ATOM 756 CA LYS A 48 2.793 7.176 8.125 1.00 8.82 C ATOM 757 C LYS A 48 1.830 6.751 7.063 1.00 7.68 C ATOM 758 O LYS A 48 1.865 5.615 6.616 1.00 6.47 O ATOM 759 CB LYS A 48 4.266 7.072 7.530 1.00 9.74 C ATOM 760 CG LYS A 48 5.351 7.185 8.571 1.00 14.14 C ATOM 761 CD LYS A 48 5.280 8.488 9.356 1.00 16.32 C ATOM 762 CE LYS A 48 6.375 8.689 10.384 1.00 20.04 C ATOM 763 NZ LYS A 48 6.256 7.584 11.315 1.00 23.92 N ATOM 0 H LYS A 48 3.028 5.293 9.061 1.00 10.47 H new ATOM 0 HA LYS A 48 2.651 8.199 8.474 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.372 6.120 7.010 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.404 7.858 6.787 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.275 6.345 9.262 1.00 14.14 H new ATOM 0 HG3 LYS A 48 6.324 7.111 8.085 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.310 9.319 8.651 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.316 8.535 9.863 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.357 8.697 9.911 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.259 9.645 10.896 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.789 7.801 12.181 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.254 7.436 11.552 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.640 6.721 10.880 1.00 23.92 H new ATOM 777 N GLN A 49 0.965 7.781 6.685 1.00 8.89 N ATOM 778 CA GLN A 49 0.030 7.568 5.611 1.00 7.18 C ATOM 779 C GLN A 49 0.779 7.819 4.306 1.00 8.23 C ATOM 780 O GLN A 49 1.360 8.914 4.008 1.00 9.70 O ATOM 781 CB GLN A 49 -1.284 8.285 5.666 1.00 11.67 C ATOM 782 CG GLN A 49 -1.801 8.564 7.087 1.00 15.82 C ATOM 783 CD GLN A 49 -3.161 9.241 7.150 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.168 8.559 7.250 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.253 10.576 7.060 1.00 20.67 N ATOM 0 H GLN A 49 0.933 8.705 7.115 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.313 6.538 5.706 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.189 9.232 5.135 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.028 7.694 5.132 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -1.855 7.621 7.630 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.075 9.190 7.606 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.408 11.141 6.977 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.168 11.026 7.075 1.00 20.67 H new ATOM 794 N LEU A 50 0.723 6.771 3.396 1.00 6.51 N ATOM 795 CA LEU A 50 1.589 6.765 2.244 1.00 7.41 C ATOM 796 C LEU A 50 1.014 7.330 0.996 1.00 8.27 C ATOM 797 O LEU A 50 -0.150 7.182 0.638 1.00 8.34 O ATOM 798 CB LEU A 50 2.048 5.376 1.904 1.00 7.13 C ATOM 799 CG LEU A 50 2.596 4.527 3.016 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.902 3.143 2.523 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.780 5.234 3.651 1.00 9.11 C ATOM 0 H LEU A 50 0.097 5.969 3.471 1.00 6.51 H new ATOM 0 HA LEU A 50 2.406 7.412 2.564 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.206 4.844 1.461 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.816 5.456 1.134 1.00 7.13 H new ATOM 0 HG LEU A 50 1.850 4.396 3.800 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.298 2.544 3.343 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.990 2.682 2.144 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.641 3.197 1.723 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.180 4.620 4.458 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.553 5.395 2.900 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.458 6.195 4.051 1.00 9.11 H new ATOM 813 N GLU A 51 1.846 8.067 0.276 1.00 9.43 N ATOM 814 CA GLU A 51 1.407 9.029 -0.731 1.00 11.90 C ATOM 815 C GLU A 51 1.683 8.597 -2.164 1.00 11.49 C ATOM 816 O GLU A 51 2.821 8.292 -2.602 1.00 9.88 O ATOM 817 CB GLU A 51 2.182 10.403 -0.509 1.00 16.56 C ATOM 818 CG GLU A 51 1.712 11.569 -1.329 1.00 26.06 C ATOM 819 CD GLU A 51 2.510 12.849 -1.108 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.132 13.610 -0.212 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.516 13.105 -1.831 1.00 32.13 O ATOM 0 H GLU A 51 2.860 8.015 0.374 1.00 9.43 H new ATOM 0 HA GLU A 51 0.328 9.118 -0.606 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.107 10.672 0.544 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.238 10.239 -0.721 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.762 11.301 -2.384 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.664 11.763 -1.098 1.00 26.06 H new ATOM 828 N ASP A 52 0.567 8.459 -3.017 1.00 12.71 N ATOM 829 CA ASP A 52 0.429 7.851 -4.290 1.00 16.56 C ATOM 830 C ASP A 52 1.601 8.089 -5.240 1.00 15.83 C ATOM 831 O ASP A 52 2.076 7.153 -5.840 1.00 17.21 O ATOM 832 CB ASP A 52 -0.909 8.164 -4.958 1.00 21.05 C ATOM 833 CG ASP A 52 -2.121 7.438 -4.317 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.034 7.048 -3.132 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.145 7.187 -5.025 1.00 28.37 O ATOM 0 H ASP A 52 -0.330 8.845 -2.721 1.00 12.71 H new ATOM 0 HA ASP A 52 0.444 6.783 -4.072 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.080 9.240 -4.918 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.850 7.890 -6.011 1.00 21.05 H new ATOM 840 N GLY A 53 2.143 9.300 -5.395 1.00 15.00 N ATOM 841 CA GLY A 53 3.241 9.567 -6.273 1.00 11.77 C ATOM 842 C GLY A 53 4.666 9.338 -5.839 1.00 11.10 C ATOM 843 O GLY A 53 5.553 9.444 -6.712 1.00 11.25 O ATOM 0 H GLY A 53 1.811 10.125 -4.896 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.082 8.969 -7.170 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.164 10.613 -6.569 1.00 11.77 H new ATOM 847 N ARG A 54 4.906 9.057 -4.566 1.00 8.53 N ATOM 848 CA ARG A 54 6.251 8.790 -4.094 1.00 9.05 C ATOM 849 C ARG A 54 6.628 7.400 -4.258 1.00 8.96 C ATOM 850 O ARG A 54 5.784 6.513 -4.403 1.00 11.60 O ATOM 851 CB ARG A 54 6.357 9.141 -2.608 1.00 7.97 C ATOM 852 CG ARG A 54 6.028 10.599 -2.196 1.00 9.62 C ATOM 853 CD ARG A 54 6.461 10.978 -0.804 1.00 12.20 C ATOM 854 NE ARG A 54 5.568 12.091 -0.265 1.00 18.23 N ATOM 855 CZ ARG A 54 5.591 12.519 1.031 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.450 12.086 1.907 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.600 13.343 1.396 1.00 23.38 N ATOM 0 H ARG A 54 4.186 9.009 -3.845 1.00 8.53 H new ATOM 0 HA ARG A 54 6.924 9.404 -4.693 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.692 8.476 -2.056 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.373 8.919 -2.281 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.502 11.277 -2.905 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.952 10.751 -2.280 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.408 10.109 -0.149 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.500 11.307 -0.814 1.00 12.20 H new ATOM 0 HE ARG A 54 4.917 12.541 -0.909 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.149 11.394 1.637 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.424 12.438 2.864 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.887 13.614 0.719 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.559 13.699 2.351 1.00 23.38 H new ATOM 871 N THR A 55 7.877 6.972 -4.232 1.00 9.05 N ATOM 872 CA THR A 55 8.338 5.577 -4.378 1.00 9.03 C ATOM 873 C THR A 55 8.618 5.004 -3.000 1.00 8.15 C ATOM 874 O THR A 55 8.742 5.717 -1.980 1.00 5.91 O ATOM 875 CB THR A 55 9.554 5.390 -5.234 1.00 11.15 C ATOM 876 OG1 THR A 55 10.666 6.077 -4.692 1.00 11.95 O ATOM 877 CG2 THR A 55 9.452 5.958 -6.678 1.00 11.71 C ATOM 0 H THR A 55 8.655 7.618 -4.101 1.00 9.05 H new ATOM 0 HA THR A 55 7.531 5.054 -4.892 1.00 9.03 H new ATOM 0 HB THR A 55 9.655 4.305 -5.262 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.344 5.429 -4.408 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.384 5.769 -7.210 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.630 5.472 -7.203 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.270 7.032 -6.635 1.00 11.71 H new ATOM 885 N LEU A 56 8.781 3.649 -2.955 1.00 6.91 N ATOM 886 CA LEU A 56 9.125 2.863 -1.804 1.00 8.29 C ATOM 887 C LEU A 56 10.436 3.323 -1.139 1.00 8.05 C ATOM 888 O LEU A 56 10.609 3.373 0.071 1.00 10.17 O ATOM 889 CB LEU A 56 9.346 1.371 -2.239 1.00 6.60 C ATOM 890 CG LEU A 56 8.034 0.528 -2.133 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.179 0.678 -3.416 1.00 9.85 C ATOM 892 CD2 LEU A 56 8.478 -0.923 -1.968 1.00 8.64 C ATOM 0 H LEU A 56 8.661 3.073 -3.788 1.00 6.91 H new ATOM 0 HA LEU A 56 8.303 2.977 -1.097 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.712 1.343 -3.265 1.00 6.60 H new ATOM 0 HB3 LEU A 56 10.117 0.922 -1.613 1.00 6.60 H new ATOM 0 HG LEU A 56 7.420 0.862 -1.297 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.271 0.083 -3.320 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.913 1.726 -3.555 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.751 0.331 -4.277 1.00 9.85 H new ATOM 0 HD21 LEU A 56 7.601 -1.565 -1.888 1.00 8.64 H new ATOM 0 HD22 LEU A 56 9.070 -1.223 -2.833 1.00 8.64 H new ATOM 0 HD23 LEU A 56 9.081 -1.019 -1.065 1.00 8.64 H new ATOM 904 N SER A 57 11.507 3.580 -1.988 1.00 8.92 N ATOM 905 CA SER A 57 12.733 4.206 -1.626 1.00 9.00 C ATOM 906 C SER A 57 12.596 5.519 -0.899 1.00 9.44 C ATOM 907 O SER A 57 13.357 5.781 0.037 1.00 10.91 O ATOM 908 CB SER A 57 13.584 4.422 -2.852 1.00 10.32 C ATOM 909 OG SER A 57 12.959 4.979 -3.937 1.00 13.59 O ATOM 0 H SER A 57 11.481 3.323 -2.975 1.00 8.92 H new ATOM 0 HA SER A 57 13.199 3.515 -0.923 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.424 5.060 -2.577 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.999 3.460 -3.153 1.00 10.32 H new ATOM 0 HG SER A 57 13.601 5.075 -4.671 1.00 13.59 H new ATOM 915 N ASP A 58 11.684 6.382 -1.329 1.00 9.11 N ATOM 916 CA ASP A 58 11.524 7.669 -0.621 1.00 7.91 C ATOM 917 C ASP A 58 10.858 7.490 0.770 1.00 9.12 C ATOM 918 O ASP A 58 10.865 8.422 1.539 1.00 8.61 O ATOM 919 CB ASP A 58 10.727 8.707 -1.477 1.00 8.41 C ATOM 920 CG ASP A 58 10.957 10.144 -1.127 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.168 10.520 -0.933 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.981 10.905 -0.870 1.00 11.70 O ATOM 0 H ASP A 58 11.064 6.236 -2.126 1.00 9.11 H new ATOM 0 HA ASP A 58 12.529 8.059 -0.463 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.985 8.561 -2.526 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.663 8.493 -1.378 1.00 8.41 H new ATOM 927 N TYR A 59 10.239 6.313 1.056 1.00 7.97 N ATOM 928 CA TYR A 59 9.576 5.982 2.264 1.00 8.45 C ATOM 929 C TYR A 59 10.314 4.948 3.073 1.00 10.98 C ATOM 930 O TYR A 59 9.899 4.546 4.144 1.00 12.95 O ATOM 931 CB TYR A 59 8.147 5.390 2.034 1.00 7.94 C ATOM 932 CG TYR A 59 7.188 6.507 1.923 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.148 7.497 2.932 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.352 6.539 0.787 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.218 8.561 2.757 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.422 7.587 0.726 1.00 6.52 C ATOM 937 CZ TYR A 59 5.337 8.551 1.677 1.00 6.76 C ATOM 938 OH TYR A 59 4.293 9.493 1.611 1.00 7.63 O ATOM 0 H TYR A 59 10.210 5.549 0.381 1.00 7.97 H new ATOM 0 HA TYR A 59 9.526 6.934 2.793 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.129 4.785 1.128 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.871 4.735 2.860 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.794 7.448 3.796 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.424 5.796 0.006 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.195 9.378 3.463 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.744 7.628 -0.114 1.00 6.52 H new ATOM 0 HH TYR A 59 4.462 10.214 2.252 1.00 7.63 H new ATOM 948 N ASN A 60 11.503 4.429 2.617 1.00 12.38 N ATOM 949 CA ASN A 60 12.328 3.476 3.309 1.00 13.94 C ATOM 950 C ASN A 60 11.664 2.100 3.523 1.00 14.16 C ATOM 951 O ASN A 60 11.694 1.434 4.573 1.00 14.26 O ATOM 952 CB ASN A 60 13.049 4.114 4.566 1.00 19.23 C ATOM 953 CG ASN A 60 14.024 5.208 4.163 1.00 22.65 C ATOM 954 OD1 ASN A 60 15.060 5.014 3.499 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.684 6.454 4.549 1.00 24.09 N ATOM 0 H ASN A 60 11.895 4.699 1.715 1.00 12.38 H new ATOM 0 HA ASN A 60 13.146 3.217 2.636 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.301 4.525 5.244 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.582 3.336 5.113 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.276 7.245 4.298 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.834 6.605 5.093 1.00 24.09 H new ATOM 962 N ILE A 61 10.865 1.603 2.581 1.00 11.08 N ATOM 963 CA ILE A 61 10.068 0.369 2.680 1.00 11.78 C ATOM 964 C ILE A 61 10.986 -0.763 2.115 1.00 13.74 C ATOM 965 O ILE A 61 11.149 -0.928 0.931 1.00 14.60 O ATOM 966 CB ILE A 61 8.805 0.447 1.781 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.954 1.619 2.367 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.082 -0.965 1.917 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.739 1.948 1.494 1.00 11.42 C ATOM 0 H ILE A 61 10.746 2.068 1.681 1.00 11.08 H new ATOM 0 HA ILE A 61 9.747 0.202 3.708 1.00 11.78 H new ATOM 0 HB ILE A 61 8.993 0.637 0.724 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.617 1.355 3.370 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.580 2.506 2.464 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.181 -0.973 1.304 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.756 -1.753 1.581 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.813 -1.137 2.959 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.180 2.769 1.943 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.074 2.239 0.499 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.097 1.070 1.418 1.00 11.42 H new ATOM 981 N GLN A 62 11.688 -1.463 3.052 1.00 13.97 N ATOM 982 CA GLN A 62 12.601 -2.591 2.834 1.00 15.52 C ATOM 983 C GLN A 62 11.921 -3.935 2.696 1.00 13.94 C ATOM 984 O GLN A 62 10.710 -3.994 2.853 1.00 12.15 O ATOM 985 CB GLN A 62 13.740 -2.741 3.886 1.00 19.53 C ATOM 986 CG GLN A 62 13.265 -3.099 5.322 1.00 26.38 C ATOM 987 CD GLN A 62 14.430 -3.334 6.253 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.696 -4.452 6.769 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.101 -2.199 6.633 1.00 32.71 N ATOM 0 H GLN A 62 11.616 -1.227 4.042 1.00 13.97 H new ATOM 0 HA GLN A 62 13.045 -2.309 1.879 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.430 -3.513 3.545 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.301 -1.807 3.927 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.645 -2.292 5.712 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.641 -3.992 5.287 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.871 -1.303 6.203 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.830 -2.252 7.345 1.00 32.71 H new ATOM 998 N LYS A 63 12.694 -5.036 2.435 1.00 11.73 N ATOM 999 CA LYS A 63 12.158 -6.342 2.316 1.00 11.97 C ATOM 1000 C LYS A 63 11.556 -6.894 3.627 1.00 10.41 C ATOM 1001 O LYS A 63 11.962 -6.643 4.765 1.00 9.59 O ATOM 1002 CB LYS A 63 13.216 -7.380 1.810 1.00 13.73 C ATOM 1003 CG LYS A 63 14.494 -7.683 2.614 1.00 16.98 C ATOM 1004 CD LYS A 63 15.335 -8.786 1.966 1.00 20.19 C ATOM 1005 CE LYS A 63 16.589 -9.321 2.790 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.150 -10.473 3.573 1.00 25.97 N ATOM 0 H LYS A 63 13.705 -4.993 2.309 1.00 11.73 H new ATOM 0 HA LYS A 63 11.360 -6.224 1.583 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.693 -8.327 1.678 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.534 -7.051 0.821 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.091 -6.775 2.700 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.222 -7.982 3.626 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.681 -9.633 1.758 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.694 -8.417 1.005 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.397 -9.603 2.115 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.978 -8.540 3.444 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 16.951 -10.844 4.123 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 15.390 -10.183 4.221 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.796 -11.213 2.934 1.00 25.97 H new ATOM 1020 N GLU A 64 10.456 -7.599 3.495 1.00 10.04 N ATOM 1021 CA GLU A 64 9.643 -8.241 4.562 1.00 10.94 C ATOM 1022 C GLU A 64 9.037 -7.281 5.597 1.00 9.74 C ATOM 1023 O GLU A 64 8.885 -7.618 6.777 1.00 9.42 O ATOM 1024 CB GLU A 64 10.352 -9.506 5.094 1.00 18.31 C ATOM 1025 CG GLU A 64 10.771 -10.520 4.015 1.00 24.16 C ATOM 1026 CD GLU A 64 11.224 -11.885 4.662 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.243 -11.888 5.363 1.00 32.61 O ATOM 1028 OE2 GLU A 64 10.601 -12.928 4.339 1.00 31.72 O ATOM 0 H GLU A 64 10.054 -7.766 2.572 1.00 10.04 H new ATOM 0 HA GLU A 64 8.720 -8.600 4.108 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.240 -9.201 5.648 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.690 -10.005 5.802 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.938 -10.696 3.334 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.587 -10.107 3.421 1.00 24.16 H new ATOM 1035 N SER A 65 8.845 -6.007 5.213 1.00 6.85 N ATOM 1036 CA SER A 65 8.132 -5.003 6.015 1.00 6.90 C ATOM 1037 C SER A 65 6.646 -5.335 5.974 1.00 4.72 C ATOM 1038 O SER A 65 6.151 -5.805 4.964 1.00 3.91 O ATOM 1039 CB SER A 65 8.306 -3.599 5.530 1.00 7.28 C ATOM 1040 OG SER A 65 9.676 -3.259 5.483 1.00 10.56 O ATOM 0 H SER A 65 9.187 -5.643 4.324 1.00 6.85 H new ATOM 0 HA SER A 65 8.551 -5.045 7.020 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.865 -3.493 4.539 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.777 -2.912 6.190 1.00 7.28 H new ATOM 0 HG SER A 65 10.047 -3.514 4.613 1.00 10.56 H new ATOM 1046 N THR A 66 5.945 -5.019 7.069 1.00 4.48 N ATOM 1047 CA THR A 66 4.507 -5.115 7.064 1.00 3.80 C ATOM 1048 C THR A 66 3.891 -3.704 7.119 1.00 4.60 C ATOM 1049 O THR A 66 4.236 -2.880 7.920 1.00 5.33 O ATOM 1050 CB THR A 66 3.941 -6.041 8.182 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.325 -7.377 7.910 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.457 -5.943 8.331 1.00 3.40 C ATOM 0 H THR A 66 6.354 -4.702 7.948 1.00 4.48 H new ATOM 0 HA THR A 66 4.217 -5.595 6.129 1.00 3.80 H new ATOM 0 HB THR A 66 4.361 -5.709 9.131 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.974 -7.967 8.610 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.126 -6.612 9.125 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.183 -4.918 8.582 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.978 -6.227 7.394 1.00 3.40 H new ATOM 1060 N LEU A 67 3.021 -3.406 6.125 1.00 4.17 N ATOM 1061 CA LEU A 67 2.238 -2.222 5.888 1.00 3.85 C ATOM 1062 C LEU A 67 0.686 -2.465 6.002 1.00 3.80 C ATOM 1063 O LEU A 67 0.174 -3.588 5.873 1.00 5.54 O ATOM 1064 CB LEU A 67 2.592 -1.810 4.417 1.00 7.18 C ATOM 1065 CG LEU A 67 4.069 -1.578 4.125 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.655 -2.862 3.404 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.338 -0.350 3.224 1.00 11.66 C ATOM 0 H LEU A 67 2.848 -4.093 5.391 1.00 4.17 H new ATOM 0 HA LEU A 67 2.467 -1.462 6.634 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.227 -2.587 3.745 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.047 -0.898 4.175 1.00 7.18 H new ATOM 0 HG LEU A 67 4.552 -1.387 5.083 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.713 -2.708 3.190 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.539 -3.729 4.054 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.117 -3.033 2.472 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.411 -0.248 3.059 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.835 -0.484 2.266 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.958 0.548 3.711 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.091 -1.458 6.434 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.521 -1.624 6.729 1.00 4.17 C ATOM 1081 C HIS A 68 -2.456 -1.054 5.728 1.00 5.32 C ATOM 1082 O HIS A 68 -2.382 0.119 5.450 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.881 -1.046 8.096 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.989 -1.575 9.179 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.178 -0.930 9.474 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.941 -2.772 9.753 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.882 -1.779 10.214 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.255 -2.923 10.404 1.00 16.30 N ATOM 0 H HIS A 68 0.254 -0.510 6.588 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.653 -2.706 6.705 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.805 0.041 8.062 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.918 -1.286 8.330 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.452 0.009 9.186 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.725 -3.513 9.713 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.860 -1.557 10.616 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.411 -1.842 5.195 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.433 -1.408 4.245 1.00 3.97 C ATOM 1098 C LEU A 69 -5.628 -1.168 5.047 1.00 5.07 C ATOM 1099 O LEU A 69 -6.100 -1.902 5.909 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.696 -2.385 3.126 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.932 -2.191 2.153 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.790 -0.916 1.399 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.111 -3.427 1.235 1.00 9.96 C ATOM 0 H LEU A 69 -3.487 -2.832 5.428 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.096 -0.514 3.720 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.800 -2.409 2.505 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.797 -3.371 3.579 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.848 -2.115 2.738 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.643 -0.790 0.733 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.750 -0.082 2.099 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.872 -0.941 0.812 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.965 -3.270 0.576 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.212 -3.568 0.636 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.282 -4.313 1.847 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.209 0.044 4.808 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.421 0.502 5.547 1.00 6.26 C ATOM 1117 C VAL A 70 -8.402 1.043 4.553 1.00 9.22 C ATOM 1118 O VAL A 70 -8.013 1.789 3.655 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.194 1.635 6.591 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.506 2.082 7.274 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.102 1.297 7.636 1.00 8.54 C ATOM 0 H VAL A 70 -5.862 0.712 4.119 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.762 -0.376 6.096 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.820 2.482 6.015 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.291 2.873 7.992 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.200 2.455 6.520 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.954 1.234 7.792 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.995 2.129 8.332 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.388 0.399 8.184 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.153 1.125 7.128 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.713 0.661 4.656 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.750 1.147 3.686 1.00 16.06 C ATOM 1133 C LEU A 71 -10.917 2.684 3.663 1.00 18.09 C ATOM 1134 O LEU A 71 -10.780 3.341 4.697 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.119 0.501 4.023 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.237 0.434 2.914 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.630 -0.055 1.595 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.386 -0.511 3.327 1.00 19.57 C ATOM 0 H LEU A 71 -10.070 0.036 5.379 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.401 0.851 2.697 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.926 -0.519 4.355 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.535 1.040 4.874 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.645 1.437 2.790 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.407 -0.100 0.832 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.848 0.634 1.277 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.203 -1.048 1.737 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.139 -0.534 2.540 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.993 -1.516 3.482 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.838 -0.152 4.252 1.00 19.57 H new