USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 562 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 30 HIS HE2 : A 30 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD NoAdj-H: A 62 HIS HE2 : A 62 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -5.33! C(o=-5.3!,f=-5.1!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 150:sc= -0.0157 USER MOD Single : A 19 GLN : amide:sc= -0.0818 K(o=-0.082,f=-1.3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0524 K(o=-0.052,f=-2.8!) USER MOD Single : A 27 GLN : amide:sc=-0.00966 K(o=-0.0097,f=-0.91) USER MOD Single : A 29 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.323) USER MOD Single : A 33 THR OG1 : rot 72:sc= 0.937 USER MOD Single : A 46 LYS NZ :NH3+ 160:sc= -0.0283 (180deg=-0.234) USER MOD Single : A 50 LYS NZ :NH3+ -133:sc=-0.00362 (180deg=-1.36) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -45:sc= 0.17 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.33) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.251 -21.797 9.577 1.00 0.00 N ATOM 2 CA GLY A 1 -2.689 -20.917 10.644 1.00 0.00 C ATOM 3 C GLY A 1 -2.133 -19.514 10.503 1.00 0.00 C ATOM 4 O GLY A 1 -1.038 -19.222 10.984 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.658 -22.744 9.719 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.568 -21.417 8.662 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.213 -21.862 9.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.778 -20.874 10.651 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.380 -21.332 11.603 1.00 0.00 H new ATOM 8 N SER A 2 -2.889 -18.643 9.842 1.00 0.00 N ATOM 9 CA SER A 2 -2.463 -17.264 9.634 1.00 0.00 C ATOM 10 C SER A 2 -3.549 -16.287 10.076 1.00 0.00 C ATOM 11 O SER A 2 -4.730 -16.486 9.791 1.00 0.00 O ATOM 12 CB SER A 2 -2.118 -17.030 8.162 1.00 0.00 C ATOM 13 OG SER A 2 -1.184 -17.989 7.698 1.00 0.00 O ATOM 0 H SER A 2 -3.800 -18.868 9.441 1.00 0.00 H new ATOM 0 HA SER A 2 -1.574 -17.090 10.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.025 -17.081 7.560 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.708 -16.028 8.036 1.00 0.00 H new ATOM 0 HG SER A 2 -0.982 -17.819 6.754 1.00 0.00 H new ATOM 19 N SER A 3 -3.139 -15.232 10.773 1.00 0.00 N ATOM 20 CA SER A 3 -4.076 -14.226 11.257 1.00 0.00 C ATOM 21 C SER A 3 -4.374 -13.194 10.174 1.00 0.00 C ATOM 22 O SER A 3 -3.462 -12.650 9.552 1.00 0.00 O ATOM 23 CB SER A 3 -3.514 -13.531 12.499 1.00 0.00 C ATOM 24 OG SER A 3 -3.885 -14.220 13.681 1.00 0.00 O ATOM 0 H SER A 3 -2.165 -15.052 11.015 1.00 0.00 H new ATOM 0 HA SER A 3 -5.006 -14.729 11.520 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.427 -13.479 12.430 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.880 -12.505 12.542 1.00 0.00 H new ATOM 0 HG SER A 3 -3.512 -13.757 14.460 1.00 0.00 H new ATOM 30 N GLY A 4 -5.658 -12.929 9.954 1.00 0.00 N ATOM 31 CA GLY A 4 -6.054 -11.963 8.946 1.00 0.00 C ATOM 32 C GLY A 4 -7.122 -12.502 8.015 1.00 0.00 C ATOM 33 O GLY A 4 -8.050 -11.784 7.641 1.00 0.00 O ATOM 0 H GLY A 4 -6.431 -13.366 10.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.424 -11.062 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.180 -11.672 8.362 1.00 0.00 H new ATOM 37 N SER A 5 -6.991 -13.770 7.637 1.00 0.00 N ATOM 38 CA SER A 5 -7.950 -14.403 6.740 1.00 0.00 C ATOM 39 C SER A 5 -9.371 -13.943 7.050 1.00 0.00 C ATOM 40 O SER A 5 -10.037 -13.338 6.210 1.00 0.00 O ATOM 41 CB SER A 5 -7.859 -15.926 6.853 1.00 0.00 C ATOM 42 OG SER A 5 -8.636 -16.560 5.853 1.00 0.00 O ATOM 0 H SER A 5 -6.230 -14.379 7.938 1.00 0.00 H new ATOM 0 HA SER A 5 -7.705 -14.106 5.720 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.819 -16.239 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.202 -16.242 7.838 1.00 0.00 H new ATOM 0 HG SER A 5 -8.559 -17.532 5.946 1.00 0.00 H new ATOM 48 N SER A 6 -9.829 -14.235 8.264 1.00 0.00 N ATOM 49 CA SER A 6 -11.172 -13.855 8.686 1.00 0.00 C ATOM 50 C SER A 6 -11.272 -12.346 8.888 1.00 0.00 C ATOM 51 O SER A 6 -10.300 -11.694 9.268 1.00 0.00 O ATOM 52 CB SER A 6 -11.547 -14.580 9.979 1.00 0.00 C ATOM 53 OG SER A 6 -12.937 -14.480 10.236 1.00 0.00 O ATOM 0 H SER A 6 -9.290 -14.733 8.972 1.00 0.00 H new ATOM 0 HA SER A 6 -11.869 -14.145 7.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.262 -15.630 9.907 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.988 -14.155 10.813 1.00 0.00 H new ATOM 0 HG SER A 6 -13.151 -14.953 11.067 1.00 0.00 H new ATOM 59 N GLY A 7 -12.455 -11.798 8.630 1.00 0.00 N ATOM 60 CA GLY A 7 -12.662 -10.370 8.789 1.00 0.00 C ATOM 61 C GLY A 7 -12.627 -9.629 7.467 1.00 0.00 C ATOM 62 O GLY A 7 -12.196 -10.175 6.451 1.00 0.00 O ATOM 0 H GLY A 7 -13.274 -12.317 8.314 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.623 -10.197 9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.894 -9.966 9.449 1.00 0.00 H new ATOM 66 N LEU A 8 -13.084 -8.381 7.479 1.00 0.00 N ATOM 67 CA LEU A 8 -13.105 -7.564 6.271 1.00 0.00 C ATOM 68 C LEU A 8 -11.692 -7.163 5.859 1.00 0.00 C ATOM 69 O LEU A 8 -10.786 -7.108 6.690 1.00 0.00 O ATOM 70 CB LEU A 8 -13.958 -6.313 6.493 1.00 0.00 C ATOM 71 CG LEU A 8 -15.376 -6.552 7.014 1.00 0.00 C ATOM 72 CD1 LEU A 8 -15.850 -5.362 7.834 1.00 0.00 C ATOM 73 CD2 LEU A 8 -16.330 -6.821 5.860 1.00 0.00 C ATOM 0 H LEU A 8 -13.444 -7.914 8.311 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.542 -8.158 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.438 -5.663 7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -14.025 -5.771 5.550 1.00 0.00 H new ATOM 0 HG LEU A 8 -15.363 -7.430 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -16.861 -5.549 8.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -15.181 -5.215 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -15.848 -4.467 7.212 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -17.334 -6.989 6.250 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.340 -5.962 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.000 -7.705 5.314 1.00 0.00 H new ATOM 85 N GLN A 9 -11.514 -6.881 4.573 1.00 0.00 N ATOM 86 CA GLN A 9 -10.211 -6.483 4.052 1.00 0.00 C ATOM 87 C GLN A 9 -10.349 -5.334 3.059 1.00 0.00 C ATOM 88 O GLN A 9 -10.853 -5.515 1.950 1.00 0.00 O ATOM 89 CB GLN A 9 -9.521 -7.673 3.381 1.00 0.00 C ATOM 90 CG GLN A 9 -8.105 -7.373 2.919 1.00 0.00 C ATOM 91 CD GLN A 9 -7.068 -7.674 3.984 1.00 0.00 C ATOM 92 OE1 GLN A 9 -7.028 -8.774 4.534 1.00 0.00 O ATOM 93 NE2 GLN A 9 -6.221 -6.694 4.279 1.00 0.00 N ATOM 0 H GLN A 9 -12.255 -6.921 3.873 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.602 -6.144 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.497 -8.510 4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.115 -7.990 2.524 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.886 -7.960 2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -8.034 -6.323 2.635 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -6.291 -5.797 3.798 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -5.501 -6.838 4.987 1.00 0.00 H new ATOM 102 N CYS A 10 -9.900 -4.151 3.464 1.00 0.00 N ATOM 103 CA CYS A 10 -9.974 -2.971 2.611 1.00 0.00 C ATOM 104 C CYS A 10 -9.119 -3.150 1.360 1.00 0.00 C ATOM 105 O CYS A 10 -8.099 -3.839 1.387 1.00 0.00 O ATOM 106 CB CYS A 10 -9.517 -1.730 3.381 1.00 0.00 C ATOM 107 SG CYS A 10 -9.120 -0.303 2.321 1.00 0.00 S ATOM 0 H CYS A 10 -9.481 -3.984 4.379 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.012 -2.839 2.305 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.300 -1.442 4.082 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -8.638 -1.986 3.972 1.00 0.00 H new ATOM 112 N GLU A 11 -9.542 -2.526 0.266 1.00 0.00 N ATOM 113 CA GLU A 11 -8.815 -2.617 -0.995 1.00 0.00 C ATOM 114 C GLU A 11 -7.953 -1.378 -1.216 1.00 0.00 C ATOM 115 O GLU A 11 -6.870 -1.458 -1.798 1.00 0.00 O ATOM 116 CB GLU A 11 -9.792 -2.787 -2.161 1.00 0.00 C ATOM 117 CG GLU A 11 -10.623 -1.547 -2.445 1.00 0.00 C ATOM 118 CD GLU A 11 -11.626 -1.760 -3.562 1.00 0.00 C ATOM 119 OE1 GLU A 11 -12.288 -2.819 -3.570 1.00 0.00 O ATOM 120 OE2 GLU A 11 -11.750 -0.868 -4.427 1.00 0.00 O ATOM 0 H GLU A 11 -10.384 -1.952 0.227 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.162 -3.489 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.232 -3.052 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.461 -3.620 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.152 -1.253 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.960 -0.723 -2.709 1.00 0.00 H new ATOM 127 N ILE A 12 -8.440 -0.233 -0.750 1.00 0.00 N ATOM 128 CA ILE A 12 -7.714 1.022 -0.896 1.00 0.00 C ATOM 129 C ILE A 12 -6.278 0.887 -0.400 1.00 0.00 C ATOM 130 O ILE A 12 -5.328 1.050 -1.166 1.00 0.00 O ATOM 131 CB ILE A 12 -8.405 2.165 -0.128 1.00 0.00 C ATOM 132 CG1 ILE A 12 -9.788 2.443 -0.721 1.00 0.00 C ATOM 133 CG2 ILE A 12 -7.546 3.420 -0.162 1.00 0.00 C ATOM 134 CD1 ILE A 12 -10.916 1.784 0.042 1.00 0.00 C ATOM 0 H ILE A 12 -9.335 -0.149 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.708 1.261 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.530 1.862 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.955 3.520 -0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.808 2.096 -1.754 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.047 4.219 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.581 3.213 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.393 3.728 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.867 2.024 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.773 0.703 0.042 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.923 2.149 1.069 1.00 0.00 H new ATOM 146 N CYS A 13 -6.127 0.588 0.885 1.00 0.00 N ATOM 147 CA CYS A 13 -4.808 0.430 1.485 1.00 0.00 C ATOM 148 C CYS A 13 -4.498 -1.043 1.737 1.00 0.00 C ATOM 149 O CYS A 13 -3.385 -1.506 1.489 1.00 0.00 O ATOM 150 CB CYS A 13 -4.723 1.212 2.797 1.00 0.00 C ATOM 151 SG CYS A 13 -5.830 0.592 4.104 1.00 0.00 S ATOM 0 H CYS A 13 -6.903 0.450 1.532 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.070 0.825 0.787 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.696 1.181 3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.960 2.258 2.601 1.00 0.00 H new ATOM 156 N GLY A 14 -5.492 -1.775 2.231 1.00 0.00 N ATOM 157 CA GLY A 14 -5.306 -3.188 2.509 1.00 0.00 C ATOM 158 C GLY A 14 -5.424 -3.509 3.985 1.00 0.00 C ATOM 159 O GLY A 14 -4.767 -4.423 4.484 1.00 0.00 O ATOM 0 H GLY A 14 -6.422 -1.415 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.046 -3.765 1.955 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.325 -3.500 2.150 1.00 0.00 H new ATOM 163 N PHE A 15 -6.263 -2.754 4.688 1.00 0.00 N ATOM 164 CA PHE A 15 -6.463 -2.962 6.118 1.00 0.00 C ATOM 165 C PHE A 15 -7.478 -4.073 6.369 1.00 0.00 C ATOM 166 O PHE A 15 -8.068 -4.614 5.434 1.00 0.00 O ATOM 167 CB PHE A 15 -6.932 -1.666 6.782 1.00 0.00 C ATOM 168 CG PHE A 15 -6.804 -1.678 8.278 1.00 0.00 C ATOM 169 CD1 PHE A 15 -5.572 -1.884 8.879 1.00 0.00 C ATOM 170 CD2 PHE A 15 -7.914 -1.485 9.084 1.00 0.00 C ATOM 171 CE1 PHE A 15 -5.450 -1.896 10.256 1.00 0.00 C ATOM 172 CE2 PHE A 15 -7.798 -1.495 10.461 1.00 0.00 C ATOM 173 CZ PHE A 15 -6.565 -1.702 11.048 1.00 0.00 C ATOM 0 H PHE A 15 -6.815 -1.993 4.291 1.00 0.00 H new ATOM 0 HA PHE A 15 -5.510 -3.261 6.554 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -6.354 -0.833 6.383 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.974 -1.487 6.516 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.697 -2.037 8.264 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.881 -1.325 8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.484 -2.057 10.712 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.671 -1.341 11.078 1.00 0.00 H new ATOM 0 HZ PHE A 15 -6.473 -1.712 12.124 1.00 0.00 H new ATOM 183 N THR A 16 -7.676 -4.408 7.640 1.00 0.00 N ATOM 184 CA THR A 16 -8.618 -5.455 8.016 1.00 0.00 C ATOM 185 C THR A 16 -9.400 -5.068 9.267 1.00 0.00 C ATOM 186 O THR A 16 -8.826 -4.586 10.244 1.00 0.00 O ATOM 187 CB THR A 16 -7.899 -6.794 8.268 1.00 0.00 C ATOM 188 OG1 THR A 16 -6.611 -6.557 8.847 1.00 0.00 O ATOM 189 CG2 THR A 16 -7.742 -7.575 6.973 1.00 0.00 C ATOM 0 H THR A 16 -7.197 -3.969 8.426 1.00 0.00 H new ATOM 0 HA THR A 16 -9.309 -5.573 7.181 1.00 0.00 H new ATOM 0 HB THR A 16 -8.504 -7.382 8.958 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.161 -7.413 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.232 -8.517 7.176 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.725 -7.779 6.550 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.156 -6.990 6.264 1.00 0.00 H new ATOM 197 N CYS A 17 -10.710 -5.282 9.229 1.00 0.00 N ATOM 198 CA CYS A 17 -11.571 -4.955 10.360 1.00 0.00 C ATOM 199 C CYS A 17 -12.799 -5.859 10.388 1.00 0.00 C ATOM 200 O CYS A 17 -13.465 -6.050 9.370 1.00 0.00 O ATOM 201 CB CYS A 17 -12.003 -3.489 10.293 1.00 0.00 C ATOM 202 SG CYS A 17 -12.286 -2.728 11.908 1.00 0.00 S ATOM 0 H CYS A 17 -11.199 -5.680 8.428 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.002 -5.117 11.276 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -11.238 -2.920 9.764 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -12.918 -3.417 9.704 1.00 0.00 H new ATOM 0 HG CYS A 17 -12.019 -1.458 11.842 1.00 0.00 H new ATOM 208 N ARG A 18 -13.092 -6.414 11.559 1.00 0.00 N ATOM 209 CA ARG A 18 -14.239 -7.301 11.719 1.00 0.00 C ATOM 210 C ARG A 18 -15.547 -6.534 11.551 1.00 0.00 C ATOM 211 O ARG A 18 -16.367 -6.867 10.695 1.00 0.00 O ATOM 212 CB ARG A 18 -14.203 -7.974 13.092 1.00 0.00 C ATOM 213 CG ARG A 18 -13.419 -9.276 13.112 1.00 0.00 C ATOM 214 CD ARG A 18 -14.311 -10.468 12.803 1.00 0.00 C ATOM 215 NE ARG A 18 -14.946 -11.002 14.005 1.00 0.00 N ATOM 216 CZ ARG A 18 -15.330 -12.267 14.133 1.00 0.00 C ATOM 217 NH1 ARG A 18 -15.143 -13.124 13.139 1.00 0.00 N ATOM 218 NH2 ARG A 18 -15.901 -12.678 15.258 1.00 0.00 N ATOM 0 H ARG A 18 -12.551 -6.266 12.411 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.185 -8.067 10.945 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.765 -7.285 13.814 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.224 -8.170 13.418 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.611 -9.226 12.383 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.958 -9.409 14.091 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.079 -10.171 12.089 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.719 -11.250 12.328 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.103 -10.369 14.789 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.703 -12.813 12.273 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.439 -14.095 13.240 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.046 -12.022 16.026 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.195 -13.650 15.355 1.00 0.00 H new ATOM 232 N GLN A 19 -15.735 -5.506 12.373 1.00 0.00 N ATOM 233 CA GLN A 19 -16.944 -4.693 12.315 1.00 0.00 C ATOM 234 C GLN A 19 -16.942 -3.803 11.077 1.00 0.00 C ATOM 235 O GLN A 19 -16.014 -3.024 10.860 1.00 0.00 O ATOM 236 CB GLN A 19 -17.067 -3.835 13.575 1.00 0.00 C ATOM 237 CG GLN A 19 -17.416 -4.631 14.822 1.00 0.00 C ATOM 238 CD GLN A 19 -18.901 -4.915 14.937 1.00 0.00 C ATOM 239 OE1 GLN A 19 -19.732 -4.125 14.489 1.00 0.00 O ATOM 240 NE2 GLN A 19 -19.242 -6.048 15.539 1.00 0.00 N ATOM 0 H GLN A 19 -15.066 -5.217 13.086 1.00 0.00 H new ATOM 0 HA GLN A 19 -17.801 -5.364 12.256 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -16.126 -3.311 13.741 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -17.831 -3.075 13.414 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -16.869 -5.574 14.811 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -17.086 -4.081 15.703 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -18.520 -6.674 15.895 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -20.226 -6.293 15.645 1.00 0.00 H new ATOM 249 N LYS A 20 -17.988 -3.924 10.267 1.00 0.00 N ATOM 250 CA LYS A 20 -18.110 -3.130 9.050 1.00 0.00 C ATOM 251 C LYS A 20 -18.103 -1.638 9.370 1.00 0.00 C ATOM 252 O LYS A 20 -17.319 -0.876 8.805 1.00 0.00 O ATOM 253 CB LYS A 20 -19.395 -3.496 8.304 1.00 0.00 C ATOM 254 CG LYS A 20 -19.518 -2.831 6.943 1.00 0.00 C ATOM 255 CD LYS A 20 -18.727 -3.580 5.883 1.00 0.00 C ATOM 256 CE LYS A 20 -18.898 -2.948 4.511 1.00 0.00 C ATOM 257 NZ LYS A 20 -20.180 -3.351 3.870 1.00 0.00 N ATOM 0 H LYS A 20 -18.764 -4.565 10.431 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.252 -3.351 8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -19.435 -4.578 8.176 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -20.253 -3.215 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -20.568 -2.787 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.161 -1.803 7.006 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -17.671 -3.587 6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -19.054 -4.619 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.864 -1.863 4.605 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.065 -3.239 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -20.259 -2.899 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -20.202 -4.385 3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -20.976 -3.051 4.468 1.00 0.00 H new ATOM 271 N ALA A 21 -18.980 -1.229 10.281 1.00 0.00 N ATOM 272 CA ALA A 21 -19.072 0.170 10.679 1.00 0.00 C ATOM 273 C ALA A 21 -17.698 0.833 10.675 1.00 0.00 C ATOM 274 O ALA A 21 -17.479 1.824 9.978 1.00 0.00 O ATOM 275 CB ALA A 21 -19.712 0.287 12.054 1.00 0.00 C ATOM 0 H ALA A 21 -19.637 -1.847 10.757 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.699 0.688 9.953 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -19.774 1.337 12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.714 -0.141 12.027 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -19.107 -0.251 12.784 1.00 0.00 H new ATOM 281 N SER A 22 -16.777 0.280 11.457 1.00 0.00 N ATOM 282 CA SER A 22 -15.426 0.821 11.547 1.00 0.00 C ATOM 283 C SER A 22 -14.785 0.915 10.165 1.00 0.00 C ATOM 284 O SER A 22 -14.213 1.944 9.802 1.00 0.00 O ATOM 285 CB SER A 22 -14.564 -0.051 12.462 1.00 0.00 C ATOM 286 OG SER A 22 -14.894 0.159 13.824 1.00 0.00 O ATOM 0 H SER A 22 -16.942 -0.542 12.037 1.00 0.00 H new ATOM 0 HA SER A 22 -15.491 1.824 11.968 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.706 -1.101 12.208 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.510 0.177 12.300 1.00 0.00 H new ATOM 0 HG SER A 22 -14.331 -0.411 14.389 1.00 0.00 H new ATOM 292 N LEU A 23 -14.886 -0.165 9.399 1.00 0.00 N ATOM 293 CA LEU A 23 -14.317 -0.206 8.056 1.00 0.00 C ATOM 294 C LEU A 23 -14.774 0.994 7.234 1.00 0.00 C ATOM 295 O LEU A 23 -13.969 1.651 6.576 1.00 0.00 O ATOM 296 CB LEU A 23 -14.716 -1.504 7.351 1.00 0.00 C ATOM 297 CG LEU A 23 -14.231 -1.661 5.910 1.00 0.00 C ATOM 298 CD1 LEU A 23 -12.723 -1.852 5.872 1.00 0.00 C ATOM 299 CD2 LEU A 23 -14.935 -2.830 5.235 1.00 0.00 C ATOM 0 H LEU A 23 -15.356 -1.024 9.684 1.00 0.00 H new ATOM 0 HA LEU A 23 -13.231 -0.168 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -14.336 -2.343 7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -15.803 -1.578 7.357 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.475 -0.750 5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.396 -1.962 4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.235 -0.985 6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.455 -2.747 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.578 -2.927 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -14.722 -3.748 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -16.010 -2.653 5.229 1.00 0.00 H new ATOM 311 N ASN A 24 -16.073 1.275 7.278 1.00 0.00 N ATOM 312 CA ASN A 24 -16.637 2.398 6.538 1.00 0.00 C ATOM 313 C ASN A 24 -15.923 3.698 6.894 1.00 0.00 C ATOM 314 O ASN A 24 -15.384 4.380 6.023 1.00 0.00 O ATOM 315 CB ASN A 24 -18.133 2.528 6.831 1.00 0.00 C ATOM 316 CG ASN A 24 -18.893 1.249 6.537 1.00 0.00 C ATOM 317 OD1 ASN A 24 -18.423 0.393 5.788 1.00 0.00 O ATOM 318 ND2 ASN A 24 -20.075 1.114 7.128 1.00 0.00 N ATOM 0 H ASN A 24 -16.754 0.741 7.818 1.00 0.00 H new ATOM 0 HA ASN A 24 -16.497 2.207 5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -18.273 2.798 7.878 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -18.548 3.340 6.234 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -20.632 0.275 6.968 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.425 1.850 7.742 1.00 0.00 H new ATOM 325 N TRP A 25 -15.923 4.034 8.179 1.00 0.00 N ATOM 326 CA TRP A 25 -15.275 5.252 8.651 1.00 0.00 C ATOM 327 C TRP A 25 -13.796 5.261 8.279 1.00 0.00 C ATOM 328 O TRP A 25 -13.189 6.322 8.130 1.00 0.00 O ATOM 329 CB TRP A 25 -15.433 5.385 10.166 1.00 0.00 C ATOM 330 CG TRP A 25 -14.700 6.560 10.739 1.00 0.00 C ATOM 331 CD1 TRP A 25 -13.375 6.620 11.064 1.00 0.00 C ATOM 332 CD2 TRP A 25 -15.251 7.842 11.057 1.00 0.00 C ATOM 333 NE1 TRP A 25 -13.069 7.863 11.565 1.00 0.00 N ATOM 334 CE2 TRP A 25 -14.203 8.631 11.569 1.00 0.00 C ATOM 335 CE3 TRP A 25 -16.528 8.402 10.956 1.00 0.00 C ATOM 336 CZ2 TRP A 25 -14.395 9.948 11.980 1.00 0.00 C ATOM 337 CZ3 TRP A 25 -16.716 9.709 11.364 1.00 0.00 C ATOM 338 CH2 TRP A 25 -15.655 10.470 11.870 1.00 0.00 C ATOM 0 H TRP A 25 -16.365 3.480 8.913 1.00 0.00 H new ATOM 0 HA TRP A 25 -15.758 6.101 8.167 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -16.492 5.474 10.407 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -15.073 4.473 10.643 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -12.671 5.810 10.945 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -12.148 8.164 11.882 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -17.353 7.824 10.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -13.578 10.536 12.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -17.699 10.151 11.291 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -15.835 11.489 12.180 1.00 0.00 H new ATOM 349 N HIS A 26 -13.221 4.072 8.129 1.00 0.00 N ATOM 350 CA HIS A 26 -11.812 3.943 7.773 1.00 0.00 C ATOM 351 C HIS A 26 -11.606 4.176 6.280 1.00 0.00 C ATOM 352 O HIS A 26 -10.481 4.380 5.824 1.00 0.00 O ATOM 353 CB HIS A 26 -11.290 2.560 8.163 1.00 0.00 C ATOM 354 CG HIS A 26 -10.206 2.053 7.262 1.00 0.00 C ATOM 355 ND1 HIS A 26 -8.873 2.356 7.444 1.00 0.00 N ATOM 356 CD2 HIS A 26 -10.264 1.258 6.168 1.00 0.00 C ATOM 357 CE1 HIS A 26 -8.158 1.770 6.500 1.00 0.00 C ATOM 358 NE2 HIS A 26 -8.978 1.098 5.713 1.00 0.00 N ATOM 0 H HIS A 26 -13.709 3.184 8.248 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.253 4.701 8.321 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -10.913 2.598 9.185 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.119 1.852 8.155 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -8.498 2.941 8.191 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.155 0.829 5.734 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -7.085 1.830 6.391 1.00 0.00 H new ATOM 366 N GLN A 27 -12.698 4.142 5.524 1.00 0.00 N ATOM 367 CA GLN A 27 -12.636 4.348 4.082 1.00 0.00 C ATOM 368 C GLN A 27 -12.860 5.815 3.731 1.00 0.00 C ATOM 369 O GLN A 27 -12.128 6.390 2.926 1.00 0.00 O ATOM 370 CB GLN A 27 -13.676 3.477 3.375 1.00 0.00 C ATOM 371 CG GLN A 27 -13.354 1.992 3.414 1.00 0.00 C ATOM 372 CD GLN A 27 -14.131 1.199 2.382 1.00 0.00 C ATOM 373 OE1 GLN A 27 -15.032 1.725 1.727 1.00 0.00 O ATOM 374 NE2 GLN A 27 -13.787 -0.074 2.231 1.00 0.00 N ATOM 0 H GLN A 27 -13.637 3.974 5.886 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.641 4.060 3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.650 3.641 3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.758 3.795 2.336 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.286 1.851 3.246 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.575 1.602 4.408 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -13.034 -0.469 2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.275 -0.657 1.551 1.00 0.00 H new ATOM 383 N ARG A 28 -13.878 6.415 4.339 1.00 0.00 N ATOM 384 CA ARG A 28 -14.200 7.815 4.090 1.00 0.00 C ATOM 385 C ARG A 28 -12.932 8.661 4.023 1.00 0.00 C ATOM 386 O ARG A 28 -12.826 9.576 3.206 1.00 0.00 O ATOM 387 CB ARG A 28 -15.126 8.350 5.184 1.00 0.00 C ATOM 388 CG ARG A 28 -14.397 8.748 6.457 1.00 0.00 C ATOM 389 CD ARG A 28 -15.371 9.026 7.592 1.00 0.00 C ATOM 390 NE ARG A 28 -15.814 10.417 7.605 1.00 0.00 N ATOM 391 CZ ARG A 28 -16.993 10.808 8.076 1.00 0.00 C ATOM 392 NH1 ARG A 28 -17.842 9.918 8.570 1.00 0.00 N ATOM 393 NH2 ARG A 28 -17.324 12.093 8.054 1.00 0.00 N ATOM 0 H ARG A 28 -14.494 5.953 5.008 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.710 7.879 3.129 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -15.667 9.215 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.869 7.589 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.713 7.952 6.750 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.792 9.635 6.269 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.237 8.371 7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.896 8.788 8.544 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.184 11.127 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.591 8.930 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.746 10.222 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.673 12.781 7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.229 12.393 8.416 1.00 0.00 H new ATOM 407 N LYS A 29 -11.973 8.348 4.887 1.00 0.00 N ATOM 408 CA LYS A 29 -10.711 9.078 4.926 1.00 0.00 C ATOM 409 C LYS A 29 -9.938 8.900 3.623 1.00 0.00 C ATOM 410 O LYS A 29 -9.319 9.840 3.124 1.00 0.00 O ATOM 411 CB LYS A 29 -9.859 8.602 6.105 1.00 0.00 C ATOM 412 CG LYS A 29 -9.125 7.300 5.839 1.00 0.00 C ATOM 413 CD LYS A 29 -8.202 6.935 6.989 1.00 0.00 C ATOM 414 CE LYS A 29 -8.909 6.062 8.015 1.00 0.00 C ATOM 415 NZ LYS A 29 -9.542 6.873 9.091 1.00 0.00 N ATOM 0 H LYS A 29 -12.045 7.594 5.570 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.937 10.137 5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.132 9.375 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.500 8.476 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.848 6.499 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.545 7.389 4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.328 6.410 6.603 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.841 7.844 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.670 5.461 7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.193 5.368 8.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.045 6.707 9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.484 7.882 8.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.540 6.598 9.192 1.00 0.00 H new ATOM 429 N HIS A 30 -9.981 7.689 3.076 1.00 0.00 N ATOM 430 CA HIS A 30 -9.286 7.389 1.829 1.00 0.00 C ATOM 431 C HIS A 30 -9.688 8.371 0.733 1.00 0.00 C ATOM 432 O HIS A 30 -8.865 8.768 -0.091 1.00 0.00 O ATOM 433 CB HIS A 30 -9.588 5.958 1.384 1.00 0.00 C ATOM 434 CG HIS A 30 -8.934 4.915 2.236 1.00 0.00 C ATOM 435 ND1 HIS A 30 -7.687 5.079 2.802 1.00 0.00 N ATOM 436 CD2 HIS A 30 -9.361 3.689 2.619 1.00 0.00 C ATOM 437 CE1 HIS A 30 -7.375 3.998 3.494 1.00 0.00 C ATOM 438 NE2 HIS A 30 -8.374 3.140 3.400 1.00 0.00 N ATOM 0 H HIS A 30 -10.489 6.900 3.476 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.215 7.488 2.006 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -10.667 5.802 1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.260 5.830 0.352 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -7.098 5.906 2.702 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.303 3.228 2.359 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.458 3.842 4.043 1.00 0.00 H new ATOM 446 N ALA A 31 -10.960 8.759 0.730 1.00 0.00 N ATOM 447 CA ALA A 31 -11.470 9.695 -0.264 1.00 0.00 C ATOM 448 C ALA A 31 -10.635 10.970 -0.298 1.00 0.00 C ATOM 449 O ALA A 31 -10.374 11.524 -1.365 1.00 0.00 O ATOM 450 CB ALA A 31 -12.928 10.024 0.022 1.00 0.00 C ATOM 0 H ALA A 31 -11.655 8.439 1.405 1.00 0.00 H new ATOM 0 HA ALA A 31 -11.400 9.221 -1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.297 10.724 -0.728 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.521 9.110 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.012 10.474 1.011 1.00 0.00 H new ATOM 456 N GLU A 32 -10.218 11.430 0.878 1.00 0.00 N ATOM 457 CA GLU A 32 -9.412 12.641 0.981 1.00 0.00 C ATOM 458 C GLU A 32 -7.924 12.313 0.908 1.00 0.00 C ATOM 459 O GLU A 32 -7.142 13.051 0.307 1.00 0.00 O ATOM 460 CB GLU A 32 -9.720 13.375 2.288 1.00 0.00 C ATOM 461 CG GLU A 32 -9.354 12.582 3.532 1.00 0.00 C ATOM 462 CD GLU A 32 -9.303 13.444 4.779 1.00 0.00 C ATOM 463 OE1 GLU A 32 -8.690 14.530 4.726 1.00 0.00 O ATOM 464 OE2 GLU A 32 -9.878 13.031 5.808 1.00 0.00 O ATOM 0 H GLU A 32 -10.425 10.983 1.771 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.665 13.287 0.141 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.180 14.322 2.299 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.783 13.614 2.319 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.082 11.783 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.384 12.107 3.383 1.00 0.00 H new ATOM 471 N THR A 33 -7.538 11.200 1.524 1.00 0.00 N ATOM 472 CA THR A 33 -6.144 10.774 1.531 1.00 0.00 C ATOM 473 C THR A 33 -5.612 10.612 0.112 1.00 0.00 C ATOM 474 O THR A 33 -4.547 11.129 -0.225 1.00 0.00 O ATOM 475 CB THR A 33 -5.967 9.445 2.289 1.00 0.00 C ATOM 476 OG1 THR A 33 -6.613 9.518 3.565 1.00 0.00 O ATOM 477 CG2 THR A 33 -4.492 9.123 2.479 1.00 0.00 C ATOM 0 H THR A 33 -8.172 10.577 2.025 1.00 0.00 H new ATOM 0 HA THR A 33 -5.578 11.553 2.042 1.00 0.00 H new ATOM 0 HB THR A 33 -6.423 8.651 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.585 9.506 3.441 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.392 8.180 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.010 9.038 1.505 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.017 9.919 3.051 1.00 0.00 H new ATOM 485 N VAL A 34 -6.361 9.892 -0.717 1.00 0.00 N ATOM 486 CA VAL A 34 -5.965 9.663 -2.102 1.00 0.00 C ATOM 487 C VAL A 34 -5.358 10.920 -2.715 1.00 0.00 C ATOM 488 O VAL A 34 -4.372 10.852 -3.447 1.00 0.00 O ATOM 489 CB VAL A 34 -7.161 9.212 -2.961 1.00 0.00 C ATOM 490 CG1 VAL A 34 -8.322 10.185 -2.812 1.00 0.00 C ATOM 491 CG2 VAL A 34 -6.750 9.080 -4.419 1.00 0.00 C ATOM 0 H VAL A 34 -7.245 9.457 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.217 8.870 -2.090 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.490 8.234 -2.610 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.158 9.850 -3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.632 10.225 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.009 11.178 -3.136 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.607 8.760 -5.011 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.394 10.043 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.953 8.342 -4.507 1.00 0.00 H new ATOM 501 N ALA A 35 -5.955 12.068 -2.409 1.00 0.00 N ATOM 502 CA ALA A 35 -5.472 13.342 -2.927 1.00 0.00 C ATOM 503 C ALA A 35 -4.013 13.572 -2.547 1.00 0.00 C ATOM 504 O ALA A 35 -3.169 13.818 -3.408 1.00 0.00 O ATOM 505 CB ALA A 35 -6.339 14.483 -2.416 1.00 0.00 C ATOM 0 H ALA A 35 -6.774 12.141 -1.805 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.536 13.311 -4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.966 15.428 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.368 14.333 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.305 14.506 -1.327 1.00 0.00 H new ATOM 511 N ALA A 36 -3.724 13.491 -1.252 1.00 0.00 N ATOM 512 CA ALA A 36 -2.367 13.689 -0.759 1.00 0.00 C ATOM 513 C ALA A 36 -1.340 13.131 -1.738 1.00 0.00 C ATOM 514 O ALA A 36 -0.373 13.807 -2.092 1.00 0.00 O ATOM 515 CB ALA A 36 -2.202 13.041 0.608 1.00 0.00 C ATOM 0 H ALA A 36 -4.412 13.290 -0.526 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.195 14.761 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.184 13.197 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.905 13.489 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.400 11.972 0.530 1.00 0.00 H new ATOM 521 N LEU A 37 -1.554 11.894 -2.172 1.00 0.00 N ATOM 522 CA LEU A 37 -0.646 11.244 -3.111 1.00 0.00 C ATOM 523 C LEU A 37 -0.684 11.934 -4.471 1.00 0.00 C ATOM 524 O LEU A 37 -1.726 11.983 -5.124 1.00 0.00 O ATOM 525 CB LEU A 37 -1.012 9.767 -3.265 1.00 0.00 C ATOM 526 CG LEU A 37 -1.311 9.010 -1.970 1.00 0.00 C ATOM 527 CD1 LEU A 37 -0.657 9.703 -0.784 1.00 0.00 C ATOM 528 CD2 LEU A 37 -2.813 8.889 -1.758 1.00 0.00 C ATOM 0 H LEU A 37 -2.349 11.321 -1.889 1.00 0.00 H new ATOM 0 HA LEU A 37 0.366 11.321 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.885 9.696 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.193 9.262 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.894 8.006 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.880 9.151 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.422 9.737 -0.932 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.044 10.718 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.007 8.348 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.253 9.884 -1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.256 8.348 -2.594 1.00 0.00 H new ATOM 540 N ARG A 38 0.460 12.463 -4.892 1.00 0.00 N ATOM 541 CA ARG A 38 0.558 13.149 -6.175 1.00 0.00 C ATOM 542 C ARG A 38 1.542 12.436 -7.098 1.00 0.00 C ATOM 543 O ARG A 38 1.433 12.521 -8.322 1.00 0.00 O ATOM 544 CB ARG A 38 0.995 14.600 -5.969 1.00 0.00 C ATOM 545 CG ARG A 38 2.360 14.738 -5.314 1.00 0.00 C ATOM 546 CD ARG A 38 2.244 14.858 -3.803 1.00 0.00 C ATOM 547 NE ARG A 38 1.335 15.930 -3.407 1.00 0.00 N ATOM 548 CZ ARG A 38 1.007 16.188 -2.145 1.00 0.00 C ATOM 549 NH1 ARG A 38 1.513 15.455 -1.163 1.00 0.00 N ATOM 550 NH2 ARG A 38 0.174 17.181 -1.865 1.00 0.00 N ATOM 0 H ARG A 38 1.332 12.430 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.427 13.136 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.012 15.106 -6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.253 15.110 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.974 13.873 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.868 15.616 -5.712 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.891 13.913 -3.390 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.230 15.043 -3.377 1.00 0.00 H new ATOM 0 HE ARG A 38 0.929 16.513 -4.139 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.155 14.692 -1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 38 1.260 15.655 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.216 17.748 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.077 17.378 -0.896 1.00 0.00 H new ATOM 564 N PHE A 39 2.501 11.735 -6.504 1.00 0.00 N ATOM 565 CA PHE A 39 3.505 11.008 -7.273 1.00 0.00 C ATOM 566 C PHE A 39 3.122 9.538 -7.416 1.00 0.00 C ATOM 567 O PHE A 39 3.285 8.736 -6.495 1.00 0.00 O ATOM 568 CB PHE A 39 4.876 11.128 -6.604 1.00 0.00 C ATOM 569 CG PHE A 39 5.292 12.547 -6.339 1.00 0.00 C ATOM 570 CD1 PHE A 39 5.927 13.291 -7.320 1.00 0.00 C ATOM 571 CD2 PHE A 39 5.049 13.135 -5.109 1.00 0.00 C ATOM 572 CE1 PHE A 39 6.311 14.597 -7.079 1.00 0.00 C ATOM 573 CE2 PHE A 39 5.430 14.441 -4.862 1.00 0.00 C ATOM 574 CZ PHE A 39 6.062 15.172 -5.849 1.00 0.00 C ATOM 0 H PHE A 39 2.605 11.654 -5.492 1.00 0.00 H new ATOM 0 HA PHE A 39 3.555 11.450 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.861 10.580 -5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.624 10.651 -7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.124 12.846 -8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.556 12.567 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.805 15.167 -7.852 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.234 14.889 -3.899 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.361 16.192 -5.659 1.00 0.00 H new ATOM 584 N PRO A 40 2.601 9.175 -8.596 1.00 0.00 N ATOM 585 CA PRO A 40 2.184 7.800 -8.888 1.00 0.00 C ATOM 586 C PRO A 40 3.368 6.848 -9.008 1.00 0.00 C ATOM 587 O PRO A 40 4.522 7.277 -9.047 1.00 0.00 O ATOM 588 CB PRO A 40 1.461 7.926 -10.232 1.00 0.00 C ATOM 589 CG PRO A 40 2.049 9.139 -10.866 1.00 0.00 C ATOM 590 CD PRO A 40 2.378 10.078 -9.738 1.00 0.00 C ATOM 0 HA PRO A 40 1.565 7.385 -8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.617 7.042 -10.850 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.385 8.033 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.943 8.887 -11.437 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.345 9.596 -11.561 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.263 10.675 -9.957 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.563 10.776 -9.545 1.00 0.00 H new ATOM 598 N CYS A 41 3.077 5.553 -9.066 1.00 0.00 N ATOM 599 CA CYS A 41 4.118 4.539 -9.181 1.00 0.00 C ATOM 600 C CYS A 41 4.133 3.931 -10.581 1.00 0.00 C ATOM 601 O CYS A 41 3.228 3.186 -10.954 1.00 0.00 O ATOM 602 CB CYS A 41 3.907 3.439 -8.138 1.00 0.00 C ATOM 603 SG CYS A 41 5.285 2.254 -8.017 1.00 0.00 S ATOM 0 H CYS A 41 2.128 5.181 -9.035 1.00 0.00 H new ATOM 0 HA CYS A 41 5.080 5.020 -9.002 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.754 3.902 -7.163 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.994 2.895 -8.379 1.00 0.00 H new ATOM 608 N GLU A 42 5.168 4.255 -11.350 1.00 0.00 N ATOM 609 CA GLU A 42 5.299 3.741 -12.708 1.00 0.00 C ATOM 610 C GLU A 42 5.471 2.225 -12.702 1.00 0.00 C ATOM 611 O GLU A 42 5.308 1.567 -13.730 1.00 0.00 O ATOM 612 CB GLU A 42 6.489 4.397 -13.412 1.00 0.00 C ATOM 613 CG GLU A 42 7.017 3.595 -14.590 1.00 0.00 C ATOM 614 CD GLU A 42 6.118 3.686 -15.808 1.00 0.00 C ATOM 615 OE1 GLU A 42 5.987 4.795 -16.367 1.00 0.00 O ATOM 616 OE2 GLU A 42 5.547 2.648 -16.201 1.00 0.00 O ATOM 0 H GLU A 42 5.927 4.870 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 42 4.385 3.983 -13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.194 5.387 -13.760 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.294 4.540 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.013 3.953 -14.851 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.120 2.550 -14.296 1.00 0.00 H new ATOM 623 N PHE A 43 5.801 1.677 -11.537 1.00 0.00 N ATOM 624 CA PHE A 43 5.996 0.239 -11.397 1.00 0.00 C ATOM 625 C PHE A 43 4.656 -0.489 -11.346 1.00 0.00 C ATOM 626 O PHE A 43 4.385 -1.372 -12.161 1.00 0.00 O ATOM 627 CB PHE A 43 6.803 -0.066 -10.133 1.00 0.00 C ATOM 628 CG PHE A 43 8.289 -0.065 -10.356 1.00 0.00 C ATOM 629 CD1 PHE A 43 8.978 1.126 -10.511 1.00 0.00 C ATOM 630 CD2 PHE A 43 8.995 -1.256 -10.410 1.00 0.00 C ATOM 631 CE1 PHE A 43 10.345 1.130 -10.717 1.00 0.00 C ATOM 632 CE2 PHE A 43 10.362 -1.258 -10.615 1.00 0.00 C ATOM 633 CZ PHE A 43 11.038 -0.064 -10.768 1.00 0.00 C ATOM 0 H PHE A 43 5.939 2.207 -10.677 1.00 0.00 H new ATOM 0 HA PHE A 43 6.549 -0.114 -12.267 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.558 0.671 -9.368 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.502 -1.039 -9.746 1.00 0.00 H new ATOM 0 HD1 PHE A 43 8.441 2.062 -10.471 1.00 0.00 H new ATOM 0 HD2 PHE A 43 8.471 -2.193 -10.291 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.871 2.066 -10.838 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.901 -2.193 -10.655 1.00 0.00 H new ATOM 0 HZ PHE A 43 12.106 -0.063 -10.927 1.00 0.00 H new ATOM 643 N CYS A 44 3.821 -0.114 -10.383 1.00 0.00 N ATOM 644 CA CYS A 44 2.510 -0.730 -10.224 1.00 0.00 C ATOM 645 C CYS A 44 1.398 0.267 -10.536 1.00 0.00 C ATOM 646 O CYS A 44 0.362 -0.095 -11.091 1.00 0.00 O ATOM 647 CB CYS A 44 2.344 -1.266 -8.800 1.00 0.00 C ATOM 648 SG CYS A 44 2.470 0.011 -7.506 1.00 0.00 S ATOM 0 H CYS A 44 4.030 0.615 -9.700 1.00 0.00 H new ATOM 0 HA CYS A 44 2.439 -1.559 -10.928 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.374 -1.756 -8.718 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.102 -2.028 -8.619 1.00 0.00 H new ATOM 653 N GLY A 45 1.623 1.527 -10.175 1.00 0.00 N ATOM 654 CA GLY A 45 0.632 2.558 -10.425 1.00 0.00 C ATOM 655 C GLY A 45 0.192 3.259 -9.155 1.00 0.00 C ATOM 656 O GLY A 45 -0.562 4.231 -9.202 1.00 0.00 O ATOM 0 H GLY A 45 2.473 1.852 -9.714 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.043 3.292 -11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.237 2.113 -10.910 1.00 0.00 H new ATOM 660 N LYS A 46 0.662 2.765 -8.015 1.00 0.00 N ATOM 661 CA LYS A 46 0.313 3.349 -6.725 1.00 0.00 C ATOM 662 C LYS A 46 0.577 4.851 -6.719 1.00 0.00 C ATOM 663 O LYS A 46 1.013 5.419 -7.721 1.00 0.00 O ATOM 664 CB LYS A 46 1.110 2.676 -5.605 1.00 0.00 C ATOM 665 CG LYS A 46 0.449 1.425 -5.055 1.00 0.00 C ATOM 666 CD LYS A 46 1.288 0.785 -3.961 1.00 0.00 C ATOM 667 CE LYS A 46 0.997 1.405 -2.603 1.00 0.00 C ATOM 668 NZ LYS A 46 -0.348 1.018 -2.093 1.00 0.00 N ATOM 0 H LYS A 46 1.286 1.961 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.751 3.184 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.101 2.418 -5.980 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.252 3.389 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.535 1.676 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.295 0.709 -5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 46 1.086 -0.285 -3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.346 0.902 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 46 1.760 1.092 -1.890 1.00 0.00 H new ATOM 0 HE3 LYS A 46 1.058 2.491 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.383 1.161 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.075 1.606 -2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.527 0.017 -2.310 1.00 0.00 H new ATOM 682 N ARG A 47 0.310 5.490 -5.585 1.00 0.00 N ATOM 683 CA ARG A 47 0.519 6.926 -5.449 1.00 0.00 C ATOM 684 C ARG A 47 0.997 7.276 -4.043 1.00 0.00 C ATOM 685 O ARG A 47 0.528 6.707 -3.057 1.00 0.00 O ATOM 686 CB ARG A 47 -0.773 7.683 -5.762 1.00 0.00 C ATOM 687 CG ARG A 47 -1.276 7.467 -7.181 1.00 0.00 C ATOM 688 CD ARG A 47 -2.499 8.323 -7.474 1.00 0.00 C ATOM 689 NE ARG A 47 -2.790 8.389 -8.903 1.00 0.00 N ATOM 690 CZ ARG A 47 -4.006 8.599 -9.397 1.00 0.00 C ATOM 691 NH1 ARG A 47 -5.037 8.763 -8.580 1.00 0.00 N ATOM 692 NH2 ARG A 47 -4.191 8.646 -10.710 1.00 0.00 N ATOM 0 H ARG A 47 -0.052 5.035 -4.747 1.00 0.00 H new ATOM 0 HA ARG A 47 1.289 7.224 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.546 7.371 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.608 8.748 -5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.484 7.708 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.524 6.415 -7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.362 7.916 -6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.337 9.330 -7.090 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.018 8.267 -9.558 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.898 8.728 -7.570 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.969 8.924 -8.961 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.400 8.521 -11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.125 8.807 -11.088 1.00 0.00 H new ATOM 706 N PHE A 48 1.934 8.215 -3.958 1.00 0.00 N ATOM 707 CA PHE A 48 2.477 8.639 -2.673 1.00 0.00 C ATOM 708 C PHE A 48 2.440 10.159 -2.543 1.00 0.00 C ATOM 709 O PHE A 48 2.393 10.877 -3.541 1.00 0.00 O ATOM 710 CB PHE A 48 3.913 8.137 -2.512 1.00 0.00 C ATOM 711 CG PHE A 48 4.035 6.641 -2.567 1.00 0.00 C ATOM 712 CD1 PHE A 48 3.770 5.954 -3.741 1.00 0.00 C ATOM 713 CD2 PHE A 48 4.414 5.921 -1.446 1.00 0.00 C ATOM 714 CE1 PHE A 48 3.880 4.578 -3.795 1.00 0.00 C ATOM 715 CE2 PHE A 48 4.526 4.544 -1.493 1.00 0.00 C ATOM 716 CZ PHE A 48 4.260 3.872 -2.670 1.00 0.00 C ATOM 0 H PHE A 48 2.333 8.697 -4.764 1.00 0.00 H new ATOM 0 HA PHE A 48 1.859 8.209 -1.885 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.532 8.573 -3.296 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.309 8.491 -1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.474 6.501 -4.624 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.625 6.442 -0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.669 4.055 -4.716 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.821 3.995 -0.611 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.349 2.796 -2.711 1.00 0.00 H new ATOM 726 N GLU A 49 2.462 10.642 -1.304 1.00 0.00 N ATOM 727 CA GLU A 49 2.430 12.076 -1.043 1.00 0.00 C ATOM 728 C GLU A 49 3.732 12.739 -1.485 1.00 0.00 C ATOM 729 O GLU A 49 3.824 13.964 -1.558 1.00 0.00 O ATOM 730 CB GLU A 49 2.190 12.341 0.445 1.00 0.00 C ATOM 731 CG GLU A 49 2.978 11.420 1.362 1.00 0.00 C ATOM 732 CD GLU A 49 3.204 12.020 2.736 1.00 0.00 C ATOM 733 OE1 GLU A 49 3.547 13.218 2.810 1.00 0.00 O ATOM 734 OE2 GLU A 49 3.040 11.291 3.736 1.00 0.00 O ATOM 0 H GLU A 49 2.502 10.061 -0.466 1.00 0.00 H new ATOM 0 HA GLU A 49 1.610 12.506 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.454 13.375 0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.127 12.230 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.446 10.474 1.466 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.942 11.195 0.905 1.00 0.00 H new ATOM 741 N LYS A 50 4.736 11.920 -1.779 1.00 0.00 N ATOM 742 CA LYS A 50 6.032 12.424 -2.215 1.00 0.00 C ATOM 743 C LYS A 50 6.832 11.333 -2.920 1.00 0.00 C ATOM 744 O LYS A 50 6.542 10.142 -2.800 1.00 0.00 O ATOM 745 CB LYS A 50 6.823 12.958 -1.019 1.00 0.00 C ATOM 746 CG LYS A 50 6.467 12.285 0.296 1.00 0.00 C ATOM 747 CD LYS A 50 7.356 12.768 1.429 1.00 0.00 C ATOM 748 CE LYS A 50 7.495 11.714 2.517 1.00 0.00 C ATOM 749 NZ LYS A 50 6.337 11.727 3.453 1.00 0.00 N ATOM 0 H LYS A 50 4.676 10.903 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 50 5.859 13.236 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.888 12.824 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.648 14.030 -0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.424 12.488 0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.565 11.205 0.191 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.341 13.020 1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.940 13.680 1.856 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.581 10.729 2.059 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.415 11.887 3.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.683 11.703 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.780 12.592 3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.738 10.895 3.276 1.00 0.00 H new ATOM 763 N PRO A 51 7.863 11.745 -3.672 1.00 0.00 N ATOM 764 CA PRO A 51 8.726 10.818 -4.409 1.00 0.00 C ATOM 765 C PRO A 51 9.607 9.986 -3.484 1.00 0.00 C ATOM 766 O PRO A 51 9.776 8.784 -3.687 1.00 0.00 O ATOM 767 CB PRO A 51 9.584 11.743 -5.275 1.00 0.00 C ATOM 768 CG PRO A 51 9.602 13.040 -4.541 1.00 0.00 C ATOM 769 CD PRO A 51 8.265 13.149 -3.861 1.00 0.00 C ATOM 0 HA PRO A 51 8.148 10.091 -4.980 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.591 11.346 -5.401 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.159 11.858 -6.272 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.413 13.066 -3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.761 13.874 -5.225 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.340 13.677 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.546 13.694 -4.473 1.00 0.00 H new ATOM 777 N ASP A 52 10.166 10.633 -2.467 1.00 0.00 N ATOM 778 CA ASP A 52 11.029 9.953 -1.509 1.00 0.00 C ATOM 779 C ASP A 52 10.420 8.622 -1.079 1.00 0.00 C ATOM 780 O ASP A 52 11.136 7.654 -0.823 1.00 0.00 O ATOM 781 CB ASP A 52 11.266 10.838 -0.285 1.00 0.00 C ATOM 782 CG ASP A 52 11.706 12.239 -0.661 1.00 0.00 C ATOM 783 OD1 ASP A 52 10.834 13.064 -1.006 1.00 0.00 O ATOM 784 OD2 ASP A 52 12.924 12.512 -0.608 1.00 0.00 O ATOM 0 H ASP A 52 10.037 11.628 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 52 11.985 9.755 -1.995 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.350 10.893 0.303 1.00 0.00 H new ATOM 0 HB3 ASP A 52 12.025 10.380 0.350 1.00 0.00 H new ATOM 789 N SER A 53 9.093 8.581 -1.000 1.00 0.00 N ATOM 790 CA SER A 53 8.388 7.371 -0.596 1.00 0.00 C ATOM 791 C SER A 53 8.167 6.447 -1.790 1.00 0.00 C ATOM 792 O SER A 53 8.106 5.226 -1.642 1.00 0.00 O ATOM 793 CB SER A 53 7.045 7.727 0.043 1.00 0.00 C ATOM 794 OG SER A 53 7.219 8.189 1.372 1.00 0.00 O ATOM 0 H SER A 53 8.485 9.373 -1.211 1.00 0.00 H new ATOM 0 HA SER A 53 9.004 6.849 0.137 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.549 8.495 -0.550 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.394 6.852 0.041 1.00 0.00 H new ATOM 0 HG SER A 53 6.346 8.412 1.758 1.00 0.00 H new ATOM 800 N VAL A 54 8.046 7.039 -2.974 1.00 0.00 N ATOM 801 CA VAL A 54 7.833 6.271 -4.195 1.00 0.00 C ATOM 802 C VAL A 54 9.090 5.505 -4.589 1.00 0.00 C ATOM 803 O VAL A 54 9.015 4.450 -5.217 1.00 0.00 O ATOM 804 CB VAL A 54 7.410 7.181 -5.364 1.00 0.00 C ATOM 805 CG1 VAL A 54 7.932 6.631 -6.683 1.00 0.00 C ATOM 806 CG2 VAL A 54 5.897 7.333 -5.400 1.00 0.00 C ATOM 0 H VAL A 54 8.092 8.048 -3.114 1.00 0.00 H new ATOM 0 HA VAL A 54 7.031 5.563 -3.988 1.00 0.00 H new ATOM 0 HB VAL A 54 7.847 8.168 -5.211 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.624 7.286 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 54 9.020 6.579 -6.651 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.526 5.633 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.616 7.979 -6.232 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.436 6.354 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.553 7.775 -4.465 1.00 0.00 H new ATOM 816 N ALA A 55 10.246 6.045 -4.217 1.00 0.00 N ATOM 817 CA ALA A 55 11.521 5.411 -4.529 1.00 0.00 C ATOM 818 C ALA A 55 11.783 4.222 -3.611 1.00 0.00 C ATOM 819 O ALA A 55 12.255 3.176 -4.055 1.00 0.00 O ATOM 820 CB ALA A 55 12.653 6.422 -4.422 1.00 0.00 C ATOM 0 H ALA A 55 10.326 6.920 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 55 11.473 5.042 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.599 5.935 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.480 7.238 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.692 6.819 -3.408 1.00 0.00 H new ATOM 826 N ALA A 56 11.475 4.391 -2.330 1.00 0.00 N ATOM 827 CA ALA A 56 11.676 3.330 -1.350 1.00 0.00 C ATOM 828 C ALA A 56 10.659 2.210 -1.537 1.00 0.00 C ATOM 829 O ALA A 56 10.989 1.030 -1.407 1.00 0.00 O ATOM 830 CB ALA A 56 11.590 3.893 0.061 1.00 0.00 C ATOM 0 H ALA A 56 11.085 5.252 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 56 12.671 2.911 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.742 3.090 0.783 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.359 4.653 0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.607 4.339 0.216 1.00 0.00 H new ATOM 836 N HIS A 57 9.421 2.585 -1.844 1.00 0.00 N ATOM 837 CA HIS A 57 8.356 1.610 -2.049 1.00 0.00 C ATOM 838 C HIS A 57 8.779 0.547 -3.059 1.00 0.00 C ATOM 839 O HIS A 57 8.446 -0.629 -2.912 1.00 0.00 O ATOM 840 CB HIS A 57 7.083 2.308 -2.529 1.00 0.00 C ATOM 841 CG HIS A 57 6.219 1.447 -3.398 1.00 0.00 C ATOM 842 ND1 HIS A 57 5.618 0.289 -2.951 1.00 0.00 N ATOM 843 CD2 HIS A 57 5.854 1.582 -4.695 1.00 0.00 C ATOM 844 CE1 HIS A 57 4.923 -0.252 -3.935 1.00 0.00 C ATOM 845 NE2 HIS A 57 5.049 0.513 -5.004 1.00 0.00 N ATOM 0 H HIS A 57 9.131 3.556 -1.956 1.00 0.00 H new ATOM 0 HA HIS A 57 8.156 1.121 -1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 57 6.506 2.630 -1.662 1.00 0.00 H new ATOM 0 HB3 HIS A 57 7.357 3.207 -3.081 1.00 0.00 H new ATOM 0 HD1 HIS A 57 5.698 -0.090 -2.008 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.142 2.381 -5.362 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.349 -1.165 -3.876 1.00 0.00 H new ATOM 853 N ARG A 58 9.512 0.970 -4.083 1.00 0.00 N ATOM 854 CA ARG A 58 9.979 0.055 -5.118 1.00 0.00 C ATOM 855 C ARG A 58 11.015 -0.916 -4.558 1.00 0.00 C ATOM 856 O ARG A 58 11.278 -1.965 -5.145 1.00 0.00 O ATOM 857 CB ARG A 58 10.577 0.837 -6.289 1.00 0.00 C ATOM 858 CG ARG A 58 9.607 1.822 -6.921 1.00 0.00 C ATOM 859 CD ARG A 58 10.332 3.037 -7.479 1.00 0.00 C ATOM 860 NE ARG A 58 11.386 2.662 -8.418 1.00 0.00 N ATOM 861 CZ ARG A 58 12.245 3.529 -8.943 1.00 0.00 C ATOM 862 NH1 ARG A 58 12.175 4.813 -8.622 1.00 0.00 N ATOM 863 NH2 ARG A 58 13.177 3.111 -9.790 1.00 0.00 N ATOM 0 H ARG A 58 9.796 1.940 -4.219 1.00 0.00 H new ATOM 0 HA ARG A 58 9.123 -0.519 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.457 1.378 -5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.915 0.134 -7.050 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.054 1.328 -7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.876 2.142 -6.178 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.616 3.688 -7.979 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.764 3.610 -6.658 1.00 0.00 H new ATOM 0 HE ARG A 58 11.467 1.681 -8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.460 5.138 -7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.836 5.477 -9.026 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.234 2.123 -10.039 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.836 3.777 -10.193 1.00 0.00 H new ATOM 877 N SER A 59 11.601 -0.556 -3.420 1.00 0.00 N ATOM 878 CA SER A 59 12.612 -1.393 -2.784 1.00 0.00 C ATOM 879 C SER A 59 11.976 -2.333 -1.765 1.00 0.00 C ATOM 880 O SER A 59 12.650 -3.178 -1.175 1.00 0.00 O ATOM 881 CB SER A 59 13.669 -0.522 -2.102 1.00 0.00 C ATOM 882 OG SER A 59 14.821 -1.280 -1.776 1.00 0.00 O ATOM 0 H SER A 59 11.393 0.309 -2.920 1.00 0.00 H new ATOM 0 HA SER A 59 13.090 -1.994 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 59 13.946 0.302 -2.760 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.252 -0.080 -1.197 1.00 0.00 H new ATOM 0 HG SER A 59 14.549 -2.131 -1.372 1.00 0.00 H new ATOM 888 N LYS A 60 10.671 -2.180 -1.562 1.00 0.00 N ATOM 889 CA LYS A 60 9.941 -3.015 -0.615 1.00 0.00 C ATOM 890 C LYS A 60 8.864 -3.829 -1.326 1.00 0.00 C ATOM 891 O LYS A 60 8.569 -4.959 -0.937 1.00 0.00 O ATOM 892 CB LYS A 60 9.305 -2.149 0.475 1.00 0.00 C ATOM 893 CG LYS A 60 10.291 -1.227 1.172 1.00 0.00 C ATOM 894 CD LYS A 60 11.346 -2.012 1.932 1.00 0.00 C ATOM 895 CE LYS A 60 10.807 -2.533 3.256 1.00 0.00 C ATOM 896 NZ LYS A 60 11.674 -3.600 3.827 1.00 0.00 N ATOM 0 H LYS A 60 10.098 -1.485 -2.041 1.00 0.00 H new ATOM 0 HA LYS A 60 10.649 -3.705 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.510 -1.549 0.033 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.840 -2.798 1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.774 -0.585 0.435 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.755 -0.574 1.861 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.688 -2.849 1.323 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.212 -1.376 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.730 -1.709 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.800 -2.923 3.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.272 -3.928 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 11.728 -4.397 3.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.629 -3.221 3.991 1.00 0.00 H new ATOM 910 N SER A 61 8.281 -3.247 -2.369 1.00 0.00 N ATOM 911 CA SER A 61 7.235 -3.918 -3.133 1.00 0.00 C ATOM 912 C SER A 61 7.743 -4.317 -4.515 1.00 0.00 C ATOM 913 O SER A 61 7.267 -5.286 -5.108 1.00 0.00 O ATOM 914 CB SER A 61 6.012 -3.009 -3.269 1.00 0.00 C ATOM 915 OG SER A 61 5.104 -3.213 -2.201 1.00 0.00 O ATOM 0 H SER A 61 8.515 -2.313 -2.705 1.00 0.00 H new ATOM 0 HA SER A 61 6.949 -4.822 -2.596 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.330 -1.967 -3.286 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.513 -3.206 -4.218 1.00 0.00 H new ATOM 0 HG SER A 61 4.332 -2.619 -2.310 1.00 0.00 H new ATOM 921 N HIS A 62 8.713 -3.563 -5.023 1.00 0.00 N ATOM 922 CA HIS A 62 9.287 -3.838 -6.336 1.00 0.00 C ATOM 923 C HIS A 62 10.772 -4.165 -6.221 1.00 0.00 C ATOM 924 O HIS A 62 11.562 -3.905 -7.129 1.00 0.00 O ATOM 925 CB HIS A 62 9.086 -2.640 -7.264 1.00 0.00 C ATOM 926 CG HIS A 62 7.647 -2.325 -7.534 1.00 0.00 C ATOM 927 ND1 HIS A 62 6.804 -3.179 -8.213 1.00 0.00 N ATOM 928 CD2 HIS A 62 6.902 -1.242 -7.209 1.00 0.00 C ATOM 929 CE1 HIS A 62 5.603 -2.635 -8.296 1.00 0.00 C ATOM 930 NE2 HIS A 62 5.636 -1.459 -7.695 1.00 0.00 N ATOM 0 H HIS A 62 9.118 -2.757 -4.546 1.00 0.00 H new ATOM 0 HA HIS A 62 8.774 -4.703 -6.756 1.00 0.00 H new ATOM 0 HB2 HIS A 62 9.564 -1.765 -6.823 1.00 0.00 H new ATOM 0 HB3 HIS A 62 9.590 -2.836 -8.210 1.00 0.00 H new ATOM 0 HD1 HIS A 62 7.067 -4.089 -8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.240 -0.370 -6.668 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.741 -3.077 -8.774 1.00 0.00 H new ATOM 938 N PRO A 63 11.164 -4.749 -5.079 1.00 0.00 N ATOM 939 CA PRO A 63 12.557 -5.124 -4.819 1.00 0.00 C ATOM 940 C PRO A 63 13.015 -6.291 -5.687 1.00 0.00 C ATOM 941 O PRO A 63 14.190 -6.656 -5.683 1.00 0.00 O ATOM 942 CB PRO A 63 12.546 -5.528 -3.343 1.00 0.00 C ATOM 943 CG PRO A 63 11.143 -5.950 -3.076 1.00 0.00 C ATOM 944 CD PRO A 63 10.277 -5.089 -3.954 1.00 0.00 C ATOM 0 HA PRO A 63 13.247 -4.312 -5.048 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.247 -6.340 -3.150 1.00 0.00 H new ATOM 0 HB3 PRO A 63 12.838 -4.696 -2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.003 -7.006 -3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.888 -5.816 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.388 -5.623 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 63 9.933 -4.197 -3.429 1.00 0.00 H new ATOM 952 N ALA A 64 12.080 -6.872 -6.432 1.00 0.00 N ATOM 953 CA ALA A 64 12.389 -7.996 -7.307 1.00 0.00 C ATOM 954 C ALA A 64 12.670 -7.523 -8.729 1.00 0.00 C ATOM 955 O ALA A 64 13.224 -8.264 -9.542 1.00 0.00 O ATOM 956 CB ALA A 64 11.246 -9.000 -7.299 1.00 0.00 C ATOM 0 H ALA A 64 11.102 -6.583 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 64 13.288 -8.483 -6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.490 -9.834 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.094 -9.370 -6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.334 -8.516 -7.650 1.00 0.00 H new ATOM 962 N LEU A 65 12.285 -6.286 -9.023 1.00 0.00 N ATOM 963 CA LEU A 65 12.496 -5.714 -10.348 1.00 0.00 C ATOM 964 C LEU A 65 13.772 -4.878 -10.384 1.00 0.00 C ATOM 965 O LEU A 65 14.657 -5.113 -11.208 1.00 0.00 O ATOM 966 CB LEU A 65 11.297 -4.853 -10.750 1.00 0.00 C ATOM 967 CG LEU A 65 9.965 -5.587 -10.905 1.00 0.00 C ATOM 968 CD1 LEU A 65 8.837 -4.599 -11.156 1.00 0.00 C ATOM 969 CD2 LEU A 65 10.046 -6.606 -12.033 1.00 0.00 C ATOM 0 H LEU A 65 11.825 -5.660 -8.362 1.00 0.00 H new ATOM 0 HA LEU A 65 12.601 -6.534 -11.058 1.00 0.00 H new ATOM 0 HB2 LEU A 65 11.172 -4.069 -10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.529 -4.360 -11.694 1.00 0.00 H new ATOM 0 HG LEU A 65 9.754 -6.118 -9.977 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.897 -5.140 -11.264 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.764 -3.909 -10.316 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.040 -4.039 -12.069 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.089 -7.119 -12.129 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.280 -6.096 -12.968 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.827 -7.333 -11.811 1.00 0.00 H new ATOM 981 N LEU A 66 13.860 -3.904 -9.485 1.00 0.00 N ATOM 982 CA LEU A 66 15.029 -3.035 -9.412 1.00 0.00 C ATOM 983 C LEU A 66 16.310 -3.822 -9.665 1.00 0.00 C ATOM 984 O LEU A 66 17.185 -3.383 -10.413 1.00 0.00 O ATOM 985 CB LEU A 66 15.097 -2.354 -8.044 1.00 0.00 C ATOM 986 CG LEU A 66 13.853 -1.572 -7.620 1.00 0.00 C ATOM 987 CD1 LEU A 66 13.771 -1.481 -6.105 1.00 0.00 C ATOM 988 CD2 LEU A 66 13.860 -0.182 -8.241 1.00 0.00 C ATOM 0 H LEU A 66 13.136 -3.696 -8.797 1.00 0.00 H new ATOM 0 HA LEU A 66 14.934 -2.274 -10.186 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.297 -3.116 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.948 -1.673 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 66 12.972 -2.104 -7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.880 -0.921 -5.822 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.719 -2.484 -5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.656 -0.972 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.968 0.361 -7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 66 14.747 0.359 -7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.870 -0.269 -9.327 1.00 0.00 H new ATOM 1000 N LEU A 67 16.415 -4.989 -9.039 1.00 0.00 N ATOM 1001 CA LEU A 67 17.589 -5.840 -9.198 1.00 0.00 C ATOM 1002 C LEU A 67 17.855 -6.132 -10.672 1.00 0.00 C ATOM 1003 O LEU A 67 16.968 -5.988 -11.513 1.00 0.00 O ATOM 1004 CB LEU A 67 17.400 -7.152 -8.433 1.00 0.00 C ATOM 1005 CG LEU A 67 18.677 -7.823 -7.926 1.00 0.00 C ATOM 1006 CD1 LEU A 67 19.379 -6.936 -6.909 1.00 0.00 C ATOM 1007 CD2 LEU A 67 18.361 -9.183 -7.322 1.00 0.00 C ATOM 0 H LEU A 67 15.701 -5.368 -8.416 1.00 0.00 H new ATOM 0 HA LEU A 67 18.449 -5.309 -8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.750 -6.961 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 67 16.877 -7.855 -9.081 1.00 0.00 H new ATOM 0 HG LEU A 67 19.348 -7.971 -8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.286 -7.430 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 67 19.640 -5.985 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.715 -6.756 -6.064 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.282 -9.646 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 67 17.671 -9.059 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 67 17.903 -9.820 -8.079 1.00 0.00 H new ATOM 1019 N ALA A 68 19.081 -6.544 -10.976 1.00 0.00 N ATOM 1020 CA ALA A 68 19.462 -6.860 -12.347 1.00 0.00 C ATOM 1021 C ALA A 68 18.913 -8.218 -12.770 1.00 0.00 C ATOM 1022 O ALA A 68 19.064 -9.221 -12.072 1.00 0.00 O ATOM 1023 CB ALA A 68 20.976 -6.831 -12.494 1.00 0.00 C ATOM 0 H ALA A 68 19.827 -6.667 -10.292 1.00 0.00 H new ATOM 0 HA ALA A 68 19.030 -6.103 -13.002 1.00 0.00 H new ATOM 0 HB1 ALA A 68 21.246 -7.069 -13.523 1.00 0.00 H new ATOM 0 HB2 ALA A 68 21.347 -5.838 -12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 68 21.421 -7.566 -11.823 1.00 0.00 H new ATOM 1029 N PRO A 69 18.260 -8.254 -13.941 1.00 0.00 N ATOM 1030 CA PRO A 69 17.674 -9.484 -14.484 1.00 0.00 C ATOM 1031 C PRO A 69 18.736 -10.481 -14.934 1.00 0.00 C ATOM 1032 O PRO A 69 19.880 -10.109 -15.194 1.00 0.00 O ATOM 1033 CB PRO A 69 16.861 -8.991 -15.683 1.00 0.00 C ATOM 1034 CG PRO A 69 17.522 -7.720 -16.092 1.00 0.00 C ATOM 1035 CD PRO A 69 18.042 -7.097 -14.826 1.00 0.00 C ATOM 0 HA PRO A 69 17.081 -10.016 -13.740 1.00 0.00 H new ATOM 0 HB2 PRO A 69 16.869 -9.720 -16.493 1.00 0.00 H new ATOM 0 HB3 PRO A 69 15.818 -8.826 -15.413 1.00 0.00 H new ATOM 0 HG2 PRO A 69 18.333 -7.911 -16.795 1.00 0.00 H new ATOM 0 HG3 PRO A 69 16.816 -7.057 -16.592 1.00 0.00 H new ATOM 0 HD2 PRO A 69 18.965 -6.544 -15.000 1.00 0.00 H new ATOM 0 HD3 PRO A 69 17.326 -6.395 -14.400 1.00 0.00 H new ATOM 1043 N GLN A 70 18.350 -11.750 -15.023 1.00 0.00 N ATOM 1044 CA GLN A 70 19.270 -12.801 -15.442 1.00 0.00 C ATOM 1045 C GLN A 70 19.027 -13.189 -16.897 1.00 0.00 C ATOM 1046 O GLN A 70 17.936 -12.988 -17.428 1.00 0.00 O ATOM 1047 CB GLN A 70 19.119 -14.028 -14.542 1.00 0.00 C ATOM 1048 CG GLN A 70 20.313 -14.968 -14.589 1.00 0.00 C ATOM 1049 CD GLN A 70 21.628 -14.253 -14.346 1.00 0.00 C ATOM 1050 OE1 GLN A 70 21.832 -13.645 -13.295 1.00 0.00 O ATOM 1051 NE2 GLN A 70 22.528 -14.322 -15.319 1.00 0.00 N ATOM 0 H GLN A 70 17.407 -12.075 -14.811 1.00 0.00 H new ATOM 0 HA GLN A 70 20.286 -12.417 -15.353 1.00 0.00 H new ATOM 0 HB2 GLN A 70 18.967 -13.698 -13.514 1.00 0.00 H new ATOM 0 HB3 GLN A 70 18.224 -14.576 -14.836 1.00 0.00 H new ATOM 0 HG2 GLN A 70 20.185 -15.750 -13.840 1.00 0.00 H new ATOM 0 HG3 GLN A 70 20.345 -15.460 -15.561 1.00 0.00 H new ATOM 0 HE21 GLN A 70 22.317 -14.837 -16.174 1.00 0.00 H new ATOM 0 HE22 GLN A 70 23.431 -13.860 -15.212 1.00 0.00 H new ATOM 1060 N GLU A 71 20.052 -13.745 -17.535 1.00 0.00 N ATOM 1061 CA GLU A 71 19.949 -14.160 -18.929 1.00 0.00 C ATOM 1062 C GLU A 71 20.108 -15.672 -19.060 1.00 0.00 C ATOM 1063 O GLU A 71 20.389 -16.364 -18.081 1.00 0.00 O ATOM 1064 CB GLU A 71 21.008 -13.450 -19.775 1.00 0.00 C ATOM 1065 CG GLU A 71 22.422 -13.946 -19.522 1.00 0.00 C ATOM 1066 CD GLU A 71 23.417 -13.412 -20.535 1.00 0.00 C ATOM 1067 OE1 GLU A 71 23.306 -13.774 -21.724 1.00 0.00 O ATOM 1068 OE2 GLU A 71 24.306 -12.631 -20.136 1.00 0.00 O ATOM 0 H GLU A 71 20.962 -13.918 -17.109 1.00 0.00 H new ATOM 0 HA GLU A 71 18.959 -13.883 -19.291 1.00 0.00 H new ATOM 0 HB2 GLU A 71 20.768 -13.584 -20.830 1.00 0.00 H new ATOM 0 HB3 GLU A 71 20.966 -12.380 -19.572 1.00 0.00 H new ATOM 0 HG2 GLU A 71 22.734 -13.649 -18.521 1.00 0.00 H new ATOM 0 HG3 GLU A 71 22.431 -15.036 -19.549 1.00 0.00 H new ATOM 1075 N SER A 72 19.926 -16.177 -20.275 1.00 0.00 N ATOM 1076 CA SER A 72 20.044 -17.607 -20.535 1.00 0.00 C ATOM 1077 C SER A 72 21.250 -17.901 -21.422 1.00 0.00 C ATOM 1078 O SER A 72 21.917 -16.985 -21.904 1.00 0.00 O ATOM 1079 CB SER A 72 18.770 -18.135 -21.196 1.00 0.00 C ATOM 1080 OG SER A 72 17.633 -17.876 -20.391 1.00 0.00 O ATOM 0 H SER A 72 19.696 -15.617 -21.096 1.00 0.00 H new ATOM 0 HA SER A 72 20.185 -18.113 -19.580 1.00 0.00 H new ATOM 0 HB2 SER A 72 18.642 -17.667 -22.172 1.00 0.00 H new ATOM 0 HB3 SER A 72 18.862 -19.208 -21.366 1.00 0.00 H new ATOM 0 HG SER A 72 16.831 -18.222 -20.836 1.00 0.00 H new ATOM 1086 N SER A 73 21.523 -19.184 -21.633 1.00 0.00 N ATOM 1087 CA SER A 73 22.651 -19.600 -22.460 1.00 0.00 C ATOM 1088 C SER A 73 22.499 -19.081 -23.886 1.00 0.00 C ATOM 1089 O SER A 73 21.386 -18.887 -24.373 1.00 0.00 O ATOM 1090 CB SER A 73 22.768 -21.125 -22.469 1.00 0.00 C ATOM 1091 OG SER A 73 21.780 -21.707 -23.301 1.00 0.00 O ATOM 0 H SER A 73 20.979 -19.954 -21.243 1.00 0.00 H new ATOM 0 HA SER A 73 23.560 -19.176 -22.033 1.00 0.00 H new ATOM 0 HB2 SER A 73 23.759 -21.415 -22.818 1.00 0.00 H new ATOM 0 HB3 SER A 73 22.664 -21.507 -21.453 1.00 0.00 H new ATOM 0 HG SER A 73 21.877 -22.682 -23.291 1.00 0.00 H new ATOM 1097 N GLY A 74 23.629 -18.858 -24.552 1.00 0.00 N ATOM 1098 CA GLY A 74 23.601 -18.364 -25.916 1.00 0.00 C ATOM 1099 C GLY A 74 23.635 -16.850 -25.985 1.00 0.00 C ATOM 1100 O GLY A 74 23.369 -16.156 -25.003 1.00 0.00 O ATOM 0 H GLY A 74 24.563 -19.011 -24.171 1.00 0.00 H new ATOM 0 HA2 GLY A 74 24.452 -18.769 -26.463 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.701 -18.727 -26.412 1.00 0.00 H new ATOM 1104 N PRO A 75 23.972 -16.315 -27.168 1.00 0.00 N ATOM 1105 CA PRO A 75 24.050 -14.868 -27.389 1.00 0.00 C ATOM 1106 C PRO A 75 22.678 -14.204 -27.369 1.00 0.00 C ATOM 1107 O PRO A 75 22.567 -12.982 -27.468 1.00 0.00 O ATOM 1108 CB PRO A 75 24.679 -14.755 -28.780 1.00 0.00 C ATOM 1109 CG PRO A 75 24.328 -16.034 -29.459 1.00 0.00 C ATOM 1110 CD PRO A 75 24.303 -17.082 -28.381 1.00 0.00 C ATOM 0 HA PRO A 75 24.620 -14.366 -26.607 1.00 0.00 H new ATOM 0 HB2 PRO A 75 24.285 -13.897 -29.324 1.00 0.00 H new ATOM 0 HB3 PRO A 75 25.759 -14.624 -28.717 1.00 0.00 H new ATOM 0 HG2 PRO A 75 23.360 -15.960 -29.954 1.00 0.00 H new ATOM 0 HG3 PRO A 75 25.060 -16.282 -30.227 1.00 0.00 H new ATOM 0 HD2 PRO A 75 23.559 -17.851 -28.586 1.00 0.00 H new ATOM 0 HD3 PRO A 75 25.265 -17.586 -28.288 1.00 0.00 H new ATOM 1118 N SER A 76 21.634 -15.017 -27.239 1.00 0.00 N ATOM 1119 CA SER A 76 20.268 -14.508 -27.210 1.00 0.00 C ATOM 1120 C SER A 76 20.206 -13.160 -26.497 1.00 0.00 C ATOM 1121 O SER A 76 19.521 -12.240 -26.945 1.00 0.00 O ATOM 1122 CB SER A 76 19.343 -15.508 -26.514 1.00 0.00 C ATOM 1123 OG SER A 76 18.934 -16.530 -27.406 1.00 0.00 O ATOM 0 H SER A 76 21.708 -16.031 -27.152 1.00 0.00 H new ATOM 0 HA SER A 76 19.935 -14.372 -28.239 1.00 0.00 H new ATOM 0 HB2 SER A 76 19.857 -15.950 -25.660 1.00 0.00 H new ATOM 0 HB3 SER A 76 18.467 -14.988 -26.125 1.00 0.00 H new ATOM 0 HG SER A 76 18.345 -17.157 -26.937 1.00 0.00 H new ATOM 1129 N SER A 77 20.926 -13.052 -25.385 1.00 0.00 N ATOM 1130 CA SER A 77 20.950 -11.819 -24.607 1.00 0.00 C ATOM 1131 C SER A 77 22.310 -11.135 -24.716 1.00 0.00 C ATOM 1132 O SER A 77 23.341 -11.726 -24.400 1.00 0.00 O ATOM 1133 CB SER A 77 20.629 -12.109 -23.140 1.00 0.00 C ATOM 1134 OG SER A 77 20.639 -10.920 -22.370 1.00 0.00 O ATOM 0 H SER A 77 21.500 -13.803 -25.003 1.00 0.00 H new ATOM 0 HA SER A 77 20.191 -11.149 -25.011 1.00 0.00 H new ATOM 0 HB2 SER A 77 19.651 -12.585 -23.066 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.358 -12.813 -22.737 1.00 0.00 H new ATOM 0 HG SER A 77 20.429 -11.133 -21.437 1.00 0.00 H new ATOM 1140 N GLY A 78 22.302 -9.884 -25.166 1.00 0.00 N ATOM 1141 CA GLY A 78 23.539 -9.139 -25.309 1.00 0.00 C ATOM 1142 C GLY A 78 24.487 -9.361 -24.148 1.00 0.00 C ATOM 1143 O GLY A 78 25.659 -9.004 -24.255 1.00 0.00 O ATOM 0 H GLY A 78 21.461 -9.373 -25.434 1.00 0.00 H new ATOM 0 HA2 GLY A 78 24.031 -9.432 -26.237 1.00 0.00 H new ATOM 0 HA3 GLY A 78 23.312 -8.076 -25.390 1.00 0.00 H new TER 1147 GLY A 78 HETATM 1148 ZN ZN A 201 -8.090 1.158 3.857 1.00 0.00 ZN HETATM 1149 ZN ZN A 401 4.728 0.230 -6.990 1.00 0.00 ZN