USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 596 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 40 HIS : no HD1:sc= -0.506 X(o=-2.8,f=-2.9) USER MOD Set 1.2: A 44 GLN : amide:sc= -2.34 K(o=-2.8,f=-5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.0786 X(o=0.079,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.185 K(o=-0.19,f=-0.88!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 164:sc= -0.0103 (180deg=-0.575) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 1:sc= 0.123 USER MOD Single : A 32 LYS NZ :NH3+ 148:sc= -0.33 (180deg=-1.74!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.928 K(o=-0.93,f=-2.9) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.14) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.22 K(o=-2.2,f=-6.6!) USER MOD Single : A 61 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -28:sc= 0.541 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 48.461 9.453 19.103 1.00 0.00 N ATOM 2 CA MET A 1 48.796 10.205 17.861 1.00 0.00 C ATOM 3 C MET A 1 47.542 10.904 17.336 1.00 0.00 C ATOM 4 O MET A 1 46.776 10.339 16.578 1.00 0.00 O ATOM 5 CB MET A 1 49.321 9.235 16.800 1.00 0.00 C ATOM 6 CG MET A 1 50.040 10.021 15.702 1.00 0.00 C ATOM 7 SD MET A 1 50.644 8.876 14.437 1.00 0.00 S ATOM 8 CE MET A 1 49.701 9.553 13.049 1.00 0.00 C ATOM 0 H1 MET A 1 49.313 8.977 19.461 1.00 0.00 H new ATOM 0 H2 MET A 1 48.105 10.113 19.823 1.00 0.00 H new ATOM 0 H3 MET A 1 47.731 8.743 18.893 1.00 0.00 H new ATOM 0 HA MET A 1 49.562 10.948 18.083 1.00 0.00 H new ATOM 0 HB2 MET A 1 50.004 8.517 17.254 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.496 8.665 16.373 1.00 0.00 H new ATOM 0 HG2 MET A 1 49.361 10.747 15.256 1.00 0.00 H new ATOM 0 HG3 MET A 1 50.872 10.582 16.127 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.925 8.985 12.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 48.635 9.485 13.266 1.00 0.00 H new ATOM 0 HE3 MET A 1 49.975 10.597 12.898 1.00 0.00 H new ATOM 20 N GLU A 2 47.331 12.131 17.738 1.00 0.00 N ATOM 21 CA GLU A 2 46.130 12.883 17.272 1.00 0.00 C ATOM 22 C GLU A 2 46.523 14.336 16.992 1.00 0.00 C ATOM 23 O GLU A 2 46.199 15.235 17.747 1.00 0.00 O ATOM 24 CB GLU A 2 45.052 12.839 18.359 1.00 0.00 C ATOM 25 CG GLU A 2 43.668 12.890 17.712 1.00 0.00 C ATOM 26 CD GLU A 2 43.409 11.584 16.960 1.00 0.00 C ATOM 27 OE1 GLU A 2 43.132 10.592 17.614 1.00 0.00 O ATOM 28 OE2 GLU A 2 43.493 11.598 15.743 1.00 0.00 O ATOM 0 H GLU A 2 47.942 12.646 18.372 1.00 0.00 H new ATOM 0 HA GLU A 2 45.741 12.431 16.360 1.00 0.00 H new ATOM 0 HB2 GLU A 2 45.155 11.929 18.950 1.00 0.00 H new ATOM 0 HB3 GLU A 2 45.176 13.679 19.042 1.00 0.00 H new ATOM 0 HG2 GLU A 2 42.904 13.041 18.474 1.00 0.00 H new ATOM 0 HG3 GLU A 2 43.606 13.735 17.027 1.00 0.00 H new ATOM 35 N THR A 3 47.225 14.571 15.913 1.00 0.00 N ATOM 36 CA THR A 3 47.649 15.953 15.575 1.00 0.00 C ATOM 37 C THR A 3 46.514 16.668 14.840 1.00 0.00 C ATOM 38 O THR A 3 45.441 16.125 14.660 1.00 0.00 O ATOM 39 CB THR A 3 48.886 15.885 14.679 1.00 0.00 C ATOM 40 OG1 THR A 3 48.588 15.125 13.516 1.00 0.00 O ATOM 41 CG2 THR A 3 50.035 15.225 15.443 1.00 0.00 C ATOM 0 H THR A 3 47.522 13.856 15.250 1.00 0.00 H new ATOM 0 HA THR A 3 47.886 16.504 16.485 1.00 0.00 H new ATOM 0 HB THR A 3 49.179 16.894 14.387 1.00 0.00 H new ATOM 0 HG1 THR A 3 49.380 15.083 12.941 1.00 0.00 H new ATOM 0 HG21 THR A 3 50.917 15.177 14.804 1.00 0.00 H new ATOM 0 HG22 THR A 3 50.264 15.811 16.333 1.00 0.00 H new ATOM 0 HG23 THR A 3 49.744 14.216 15.737 1.00 0.00 H new ATOM 49 N LEU A 4 46.746 17.883 14.418 1.00 0.00 N ATOM 50 CA LEU A 4 45.689 18.648 13.693 1.00 0.00 C ATOM 51 C LEU A 4 46.336 19.432 12.546 1.00 0.00 C ATOM 52 O LEU A 4 46.332 20.650 12.529 1.00 0.00 O ATOM 53 CB LEU A 4 45.001 19.617 14.664 1.00 0.00 C ATOM 54 CG LEU A 4 46.061 20.463 15.395 1.00 0.00 C ATOM 55 CD1 LEU A 4 45.777 21.953 15.179 1.00 0.00 C ATOM 56 CD2 LEU A 4 46.021 20.157 16.895 1.00 0.00 C ATOM 0 H LEU A 4 47.627 18.381 14.545 1.00 0.00 H new ATOM 0 HA LEU A 4 44.945 17.961 13.290 1.00 0.00 H new ATOM 0 HB2 LEU A 4 44.316 20.267 14.119 1.00 0.00 H new ATOM 0 HB3 LEU A 4 44.405 19.060 15.387 1.00 0.00 H new ATOM 0 HG LEU A 4 47.046 20.218 14.997 1.00 0.00 H new ATOM 0 HD11 LEU A 4 46.530 22.546 15.698 1.00 0.00 H new ATOM 0 HD12 LEU A 4 45.809 22.179 14.113 1.00 0.00 H new ATOM 0 HD13 LEU A 4 44.790 22.196 15.572 1.00 0.00 H new ATOM 0 HD21 LEU A 4 46.772 20.757 17.409 1.00 0.00 H new ATOM 0 HD22 LEU A 4 45.033 20.397 17.289 1.00 0.00 H new ATOM 0 HD23 LEU A 4 46.229 19.099 17.056 1.00 0.00 H new ATOM 68 N VAL A 5 46.895 18.735 11.591 1.00 0.00 N ATOM 69 CA VAL A 5 47.552 19.421 10.440 1.00 0.00 C ATOM 70 C VAL A 5 47.576 18.473 9.233 1.00 0.00 C ATOM 71 O VAL A 5 48.557 17.803 8.970 1.00 0.00 O ATOM 72 CB VAL A 5 48.982 19.824 10.843 1.00 0.00 C ATOM 73 CG1 VAL A 5 49.767 18.583 11.279 1.00 0.00 C ATOM 74 CG2 VAL A 5 49.696 20.504 9.663 1.00 0.00 C ATOM 0 H VAL A 5 46.925 17.716 11.559 1.00 0.00 H new ATOM 0 HA VAL A 5 46.997 20.319 10.168 1.00 0.00 H new ATOM 0 HB VAL A 5 48.929 20.527 11.674 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.778 18.874 11.563 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.270 18.119 12.131 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.812 17.872 10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.706 20.784 9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.745 19.814 8.821 1.00 0.00 H new ATOM 0 HG23 VAL A 5 49.144 21.397 9.369 1.00 0.00 H new ATOM 84 N GLN A 6 46.495 18.420 8.498 1.00 0.00 N ATOM 85 CA GLN A 6 46.433 17.526 7.303 1.00 0.00 C ATOM 86 C GLN A 6 46.432 18.377 6.031 1.00 0.00 C ATOM 87 O GLN A 6 45.415 18.915 5.636 1.00 0.00 O ATOM 88 CB GLN A 6 45.152 16.685 7.350 1.00 0.00 C ATOM 89 CG GLN A 6 43.934 17.591 7.590 1.00 0.00 C ATOM 90 CD GLN A 6 42.849 17.291 6.554 1.00 0.00 C ATOM 91 OE1 GLN A 6 42.189 16.273 6.623 1.00 0.00 O ATOM 92 NE2 GLN A 6 42.636 18.143 5.589 1.00 0.00 N ATOM 0 H GLN A 6 45.648 18.960 8.675 1.00 0.00 H new ATOM 0 HA GLN A 6 47.300 16.865 7.303 1.00 0.00 H new ATOM 0 HB2 GLN A 6 45.031 16.140 6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 6 45.224 15.942 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 6 43.543 17.431 8.595 1.00 0.00 H new ATOM 0 HG3 GLN A 6 44.230 18.638 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 6 43.190 18.997 5.531 1.00 0.00 H new ATOM 0 HE22 GLN A 6 41.915 17.955 4.892 1.00 0.00 H new ATOM 101 N ALA A 7 47.565 18.500 5.389 1.00 0.00 N ATOM 102 CA ALA A 7 47.641 19.314 4.143 1.00 0.00 C ATOM 103 C ALA A 7 46.733 18.697 3.072 1.00 0.00 C ATOM 104 O ALA A 7 45.833 17.937 3.377 1.00 0.00 O ATOM 105 CB ALA A 7 49.091 19.345 3.648 1.00 0.00 C ATOM 0 H ALA A 7 48.444 18.069 5.677 1.00 0.00 H new ATOM 0 HA ALA A 7 47.309 20.332 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 7 49.152 19.939 2.736 1.00 0.00 H new ATOM 0 HB2 ALA A 7 49.727 19.789 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 7 49.427 18.329 3.441 1.00 0.00 H new ATOM 111 N ARG A 8 46.960 19.021 1.823 1.00 0.00 N ATOM 112 CA ARG A 8 46.117 18.465 0.731 1.00 0.00 C ATOM 113 C ARG A 8 46.994 18.091 -0.469 1.00 0.00 C ATOM 114 O ARG A 8 46.528 18.048 -1.592 1.00 0.00 O ATOM 115 CB ARG A 8 45.080 19.508 0.298 1.00 0.00 C ATOM 116 CG ARG A 8 45.773 20.853 0.042 1.00 0.00 C ATOM 117 CD ARG A 8 45.139 21.546 -1.168 1.00 0.00 C ATOM 118 NE ARG A 8 44.999 23.006 -0.890 1.00 0.00 N ATOM 119 CZ ARG A 8 46.060 23.736 -0.669 1.00 0.00 C ATOM 120 NH1 ARG A 8 46.980 23.846 -1.588 1.00 0.00 N ATOM 121 NH2 ARG A 8 46.200 24.354 0.473 1.00 0.00 N ATOM 0 H ARG A 8 47.700 19.652 1.515 1.00 0.00 H new ATOM 0 HA ARG A 8 45.608 17.573 1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 8 44.569 19.174 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 8 44.320 19.621 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 8 45.687 21.489 0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 8 46.837 20.696 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 8 45.756 21.391 -2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 8 44.163 21.110 -1.380 1.00 0.00 H new ATOM 0 HE ARG A 8 44.074 23.434 -0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 8 46.871 23.362 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 8 47.808 24.416 -1.415 1.00 0.00 H new ATOM 0 HH21 ARG A 8 45.481 24.267 1.192 1.00 0.00 H new ATOM 0 HH22 ARG A 8 47.028 24.924 0.646 1.00 0.00 H new ATOM 135 N LYS A 9 48.256 17.819 -0.241 1.00 0.00 N ATOM 136 CA LYS A 9 49.161 17.446 -1.363 1.00 0.00 C ATOM 137 C LYS A 9 50.235 16.470 -0.869 1.00 0.00 C ATOM 138 O LYS A 9 51.290 16.350 -1.465 1.00 0.00 O ATOM 139 CB LYS A 9 49.839 18.706 -1.910 1.00 0.00 C ATOM 140 CG LYS A 9 48.883 19.438 -2.855 1.00 0.00 C ATOM 141 CD LYS A 9 48.667 18.603 -4.118 1.00 0.00 C ATOM 142 CE LYS A 9 48.197 19.513 -5.254 1.00 0.00 C ATOM 143 NZ LYS A 9 46.709 19.606 -5.235 1.00 0.00 N ATOM 0 H LYS A 9 48.696 17.841 0.679 1.00 0.00 H new ATOM 0 HA LYS A 9 48.576 16.969 -2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 9 50.126 19.362 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 9 50.754 18.438 -2.439 1.00 0.00 H new ATOM 0 HG2 LYS A 9 47.930 19.616 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 9 49.292 20.414 -3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 9 49.593 18.101 -4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 9 47.927 17.825 -3.931 1.00 0.00 H new ATOM 0 HE2 LYS A 9 48.635 20.505 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 9 48.535 19.120 -6.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 46.390 20.225 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 46.300 18.658 -5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 46.397 20.000 -4.324 1.00 0.00 H new ATOM 157 N ARG A 10 49.979 15.771 0.211 1.00 0.00 N ATOM 158 CA ARG A 10 50.986 14.807 0.738 1.00 0.00 C ATOM 159 C ARG A 10 50.305 13.804 1.674 1.00 0.00 C ATOM 160 O ARG A 10 50.847 13.435 2.700 1.00 0.00 O ATOM 161 CB ARG A 10 52.079 15.565 1.499 1.00 0.00 C ATOM 162 CG ARG A 10 51.441 16.539 2.494 1.00 0.00 C ATOM 163 CD ARG A 10 52.515 17.097 3.430 1.00 0.00 C ATOM 164 NE ARG A 10 53.655 17.623 2.626 1.00 0.00 N ATOM 165 CZ ARG A 10 53.924 18.900 2.633 1.00 0.00 C ATOM 166 NH1 ARG A 10 53.332 19.696 1.785 1.00 0.00 N ATOM 167 NH2 ARG A 10 54.786 19.378 3.488 1.00 0.00 N ATOM 0 H ARG A 10 49.114 15.829 0.748 1.00 0.00 H new ATOM 0 HA ARG A 10 51.436 14.269 -0.096 1.00 0.00 H new ATOM 0 HB2 ARG A 10 52.722 14.861 2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 10 52.711 16.110 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 10 50.953 17.353 1.958 1.00 0.00 H new ATOM 0 HG3 ARG A 10 50.670 16.030 3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 10 52.096 17.891 4.048 1.00 0.00 H new ATOM 0 HD3 ARG A 10 52.863 16.316 4.106 1.00 0.00 H new ATOM 0 HE ARG A 10 54.225 16.985 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 10 52.659 19.320 1.117 1.00 0.00 H new ATOM 0 HH12 ARG A 10 53.542 20.694 1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 10 55.248 18.754 4.149 1.00 0.00 H new ATOM 0 HH22 ARG A 10 54.998 20.376 3.495 1.00 0.00 H new ATOM 181 N LYS A 11 49.124 13.359 1.327 1.00 0.00 N ATOM 182 CA LYS A 11 48.404 12.380 2.187 1.00 0.00 C ATOM 183 C LYS A 11 48.973 10.982 1.943 1.00 0.00 C ATOM 184 O LYS A 11 48.464 10.228 1.134 1.00 0.00 O ATOM 185 CB LYS A 11 46.914 12.395 1.841 1.00 0.00 C ATOM 186 CG LYS A 11 46.266 13.652 2.424 1.00 0.00 C ATOM 187 CD LYS A 11 44.827 13.343 2.842 1.00 0.00 C ATOM 188 CE LYS A 11 43.885 13.590 1.661 1.00 0.00 C ATOM 189 NZ LYS A 11 42.665 12.745 1.812 1.00 0.00 N ATOM 0 H LYS A 11 48.627 13.635 0.480 1.00 0.00 H new ATOM 0 HA LYS A 11 48.533 12.649 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 11 46.781 12.373 0.759 1.00 0.00 H new ATOM 0 HB3 LYS A 11 46.428 11.504 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 11 46.837 14.002 3.284 1.00 0.00 H new ATOM 0 HG3 LYS A 11 46.276 14.454 1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 11 44.748 12.307 3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 11 44.540 13.970 3.686 1.00 0.00 H new ATOM 0 HE2 LYS A 11 43.608 14.643 1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.390 13.354 0.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 42.025 12.913 1.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 42.938 11.742 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.180 12.991 2.699 1.00 0.00 H new ATOM 203 N ARG A 12 50.030 10.635 2.633 1.00 0.00 N ATOM 204 CA ARG A 12 50.646 9.289 2.442 1.00 0.00 C ATOM 205 C ARG A 12 50.776 8.580 3.797 1.00 0.00 C ATOM 206 O ARG A 12 51.861 8.246 4.236 1.00 0.00 O ATOM 207 CB ARG A 12 52.030 9.448 1.801 1.00 0.00 C ATOM 208 CG ARG A 12 52.855 10.468 2.592 1.00 0.00 C ATOM 209 CD ARG A 12 54.198 10.700 1.894 1.00 0.00 C ATOM 210 NE ARG A 12 54.507 12.158 1.888 1.00 0.00 N ATOM 211 CZ ARG A 12 55.733 12.562 1.698 1.00 0.00 C ATOM 212 NH1 ARG A 12 56.295 12.413 0.529 1.00 0.00 N ATOM 213 NH2 ARG A 12 56.396 13.117 2.675 1.00 0.00 N ATOM 0 H ARG A 12 50.493 11.228 3.322 1.00 0.00 H new ATOM 0 HA ARG A 12 50.012 8.690 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 12 52.544 8.487 1.782 1.00 0.00 H new ATOM 0 HB3 ARG A 12 51.926 9.775 0.766 1.00 0.00 H new ATOM 0 HG2 ARG A 12 52.309 11.408 2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 12 53.020 10.108 3.607 1.00 0.00 H new ATOM 0 HD2 ARG A 12 54.987 10.152 2.408 1.00 0.00 H new ATOM 0 HD3 ARG A 12 54.160 10.321 0.873 1.00 0.00 H new ATOM 0 HE ARG A 12 53.761 12.839 2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 12 55.776 11.981 -0.235 1.00 0.00 H new ATOM 0 HH12 ARG A 12 57.253 12.729 0.380 1.00 0.00 H new ATOM 0 HH21 ARG A 12 55.956 13.235 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 12 57.354 13.433 2.526 1.00 0.00 H new ATOM 227 N THR A 13 49.670 8.342 4.457 1.00 0.00 N ATOM 228 CA THR A 13 49.713 7.648 5.778 1.00 0.00 C ATOM 229 C THR A 13 49.545 6.142 5.559 1.00 0.00 C ATOM 230 O THR A 13 50.072 5.335 6.300 1.00 0.00 O ATOM 231 CB THR A 13 48.580 8.167 6.666 1.00 0.00 C ATOM 232 OG1 THR A 13 48.578 9.588 6.645 1.00 0.00 O ATOM 233 CG2 THR A 13 48.786 7.678 8.100 1.00 0.00 C ATOM 0 H THR A 13 48.737 8.600 4.136 1.00 0.00 H new ATOM 0 HA THR A 13 50.669 7.843 6.265 1.00 0.00 H new ATOM 0 HB THR A 13 47.626 7.795 6.292 1.00 0.00 H new ATOM 0 HG1 THR A 13 47.852 9.923 7.212 1.00 0.00 H new ATOM 0 HG21 THR A 13 47.978 8.049 8.731 1.00 0.00 H new ATOM 0 HG22 THR A 13 48.788 6.588 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 13 49.739 8.048 8.477 1.00 0.00 H new ATOM 241 N SER A 14 48.814 5.764 4.541 1.00 0.00 N ATOM 242 CA SER A 14 48.604 4.315 4.255 1.00 0.00 C ATOM 243 C SER A 14 49.395 3.927 3.003 1.00 0.00 C ATOM 244 O SER A 14 50.203 4.693 2.512 1.00 0.00 O ATOM 245 CB SER A 14 47.116 4.058 4.014 1.00 0.00 C ATOM 246 OG SER A 14 46.728 4.671 2.792 1.00 0.00 O ATOM 0 H SER A 14 48.352 6.402 3.893 1.00 0.00 H new ATOM 0 HA SER A 14 48.945 3.720 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 14 46.921 2.986 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 14 46.527 4.459 4.839 1.00 0.00 H new ATOM 0 HG SER A 14 45.775 4.508 2.632 1.00 0.00 H new ATOM 252 N ILE A 15 49.165 2.747 2.482 1.00 0.00 N ATOM 253 CA ILE A 15 49.900 2.311 1.256 1.00 0.00 C ATOM 254 C ILE A 15 49.250 2.942 0.024 1.00 0.00 C ATOM 255 O ILE A 15 48.391 2.349 -0.603 1.00 0.00 O ATOM 256 CB ILE A 15 49.865 0.773 1.142 1.00 0.00 C ATOM 257 CG1 ILE A 15 50.773 0.163 2.223 1.00 0.00 C ATOM 258 CG2 ILE A 15 50.348 0.316 -0.253 1.00 0.00 C ATOM 259 CD1 ILE A 15 52.233 0.574 1.985 1.00 0.00 C ATOM 0 H ILE A 15 48.500 2.068 2.853 1.00 0.00 H new ATOM 0 HA ILE A 15 50.939 2.635 1.321 1.00 0.00 H new ATOM 0 HB ILE A 15 48.838 0.435 1.282 1.00 0.00 H new ATOM 0 HG12 ILE A 15 50.450 0.496 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 15 50.687 -0.924 2.210 1.00 0.00 H new ATOM 0 HG21 ILE A 15 50.315 -0.772 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 15 49.699 0.740 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 15 51.371 0.657 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 15 52.865 0.135 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 15 52.556 0.219 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 15 52.316 1.660 2.022 1.00 0.00 H new ATOM 271 N GLU A 16 49.691 4.110 -0.353 1.00 0.00 N ATOM 272 CA GLU A 16 49.144 4.745 -1.572 1.00 0.00 C ATOM 273 C GLU A 16 49.712 3.972 -2.754 1.00 0.00 C ATOM 274 O GLU A 16 50.793 3.427 -2.670 1.00 0.00 O ATOM 275 CB GLU A 16 49.579 6.209 -1.650 1.00 0.00 C ATOM 276 CG GLU A 16 48.543 7.004 -2.448 1.00 0.00 C ATOM 277 CD GLU A 16 48.804 8.501 -2.281 1.00 0.00 C ATOM 278 OE1 GLU A 16 49.956 8.895 -2.361 1.00 0.00 O ATOM 279 OE2 GLU A 16 47.847 9.230 -2.076 1.00 0.00 O ATOM 0 H GLU A 16 50.407 4.648 0.134 1.00 0.00 H new ATOM 0 HA GLU A 16 48.054 4.723 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 16 49.679 6.624 -0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 50.557 6.285 -2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 16 48.594 6.731 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 16 47.538 6.759 -2.104 1.00 0.00 H new ATOM 286 N ASN A 17 49.000 3.900 -3.841 1.00 0.00 N ATOM 287 CA ASN A 17 49.518 3.140 -5.020 1.00 0.00 C ATOM 288 C ASN A 17 50.856 3.730 -5.472 1.00 0.00 C ATOM 289 O ASN A 17 51.651 3.061 -6.105 1.00 0.00 O ATOM 290 CB ASN A 17 48.506 3.203 -6.168 1.00 0.00 C ATOM 291 CG ASN A 17 48.758 2.052 -7.149 1.00 0.00 C ATOM 292 OD1 ASN A 17 49.793 1.415 -7.109 1.00 0.00 O ATOM 293 ND2 ASN A 17 47.847 1.759 -8.037 1.00 0.00 N ATOM 0 H ASN A 17 48.084 4.331 -3.969 1.00 0.00 H new ATOM 0 HA ASN A 17 49.666 2.099 -4.734 1.00 0.00 H new ATOM 0 HB2 ASN A 17 47.492 3.141 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 17 48.589 4.159 -6.686 1.00 0.00 H new ATOM 0 HD21 ASN A 17 48.004 0.997 -8.696 1.00 0.00 H new ATOM 0 HD22 ASN A 17 46.978 2.293 -8.072 1.00 0.00 H new ATOM 300 N ARG A 18 51.119 4.969 -5.136 1.00 0.00 N ATOM 301 CA ARG A 18 52.412 5.589 -5.527 1.00 0.00 C ATOM 302 C ARG A 18 53.468 5.228 -4.485 1.00 0.00 C ATOM 303 O ARG A 18 54.638 5.103 -4.798 1.00 0.00 O ATOM 304 CB ARG A 18 52.256 7.110 -5.598 1.00 0.00 C ATOM 305 CG ARG A 18 51.861 7.519 -7.019 1.00 0.00 C ATOM 306 CD ARG A 18 50.462 6.986 -7.337 1.00 0.00 C ATOM 307 NE ARG A 18 49.743 7.963 -8.202 1.00 0.00 N ATOM 308 CZ ARG A 18 49.413 9.133 -7.728 1.00 0.00 C ATOM 309 NH1 ARG A 18 48.277 9.286 -7.104 1.00 0.00 N ATOM 310 NH2 ARG A 18 50.217 10.149 -7.880 1.00 0.00 N ATOM 0 H ARG A 18 50.490 5.574 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 18 52.717 5.219 -6.506 1.00 0.00 H new ATOM 0 HB2 ARG A 18 51.497 7.442 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.190 7.595 -5.315 1.00 0.00 H new ATOM 0 HG2 ARG A 18 51.878 8.605 -7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 18 52.582 7.126 -7.735 1.00 0.00 H new ATOM 0 HD2 ARG A 18 50.534 6.022 -7.841 1.00 0.00 H new ATOM 0 HD3 ARG A 18 49.905 6.822 -6.414 1.00 0.00 H new ATOM 0 HE ARG A 18 49.509 7.717 -9.164 1.00 0.00 H new ATOM 0 HH11 ARG A 18 47.648 8.491 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 18 48.018 10.200 -6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.104 10.029 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 18 49.959 11.064 -7.509 1.00 0.00 H new ATOM 324 N VAL A 19 53.066 5.056 -3.247 1.00 0.00 N ATOM 325 CA VAL A 19 54.056 4.700 -2.190 1.00 0.00 C ATOM 326 C VAL A 19 54.630 3.318 -2.483 1.00 0.00 C ATOM 327 O VAL A 19 55.813 3.099 -2.367 1.00 0.00 O ATOM 328 CB VAL A 19 53.399 4.753 -0.780 1.00 0.00 C ATOM 329 CG1 VAL A 19 52.955 3.367 -0.269 1.00 0.00 C ATOM 330 CG2 VAL A 19 54.423 5.321 0.201 1.00 0.00 C ATOM 0 H VAL A 19 52.101 5.147 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 19 54.869 5.426 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 19 52.507 5.375 -0.855 1.00 0.00 H new ATOM 0 HG11 VAL A 19 52.505 3.470 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 19 52.225 2.942 -0.958 1.00 0.00 H new ATOM 0 HG13 VAL A 19 53.821 2.708 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 19 53.985 5.368 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 19 55.303 4.678 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 19 54.713 6.323 -0.115 1.00 0.00 H new ATOM 340 N ARG A 20 53.786 2.383 -2.830 1.00 0.00 N ATOM 341 CA ARG A 20 54.275 1.004 -3.108 1.00 0.00 C ATOM 342 C ARG A 20 55.247 1.024 -4.278 1.00 0.00 C ATOM 343 O ARG A 20 56.342 0.493 -4.182 1.00 0.00 O ATOM 344 CB ARG A 20 53.080 0.091 -3.423 1.00 0.00 C ATOM 345 CG ARG A 20 52.747 -0.776 -2.204 1.00 0.00 C ATOM 346 CD ARG A 20 51.416 -1.498 -2.440 1.00 0.00 C ATOM 347 NE ARG A 20 51.629 -2.668 -3.337 1.00 0.00 N ATOM 348 CZ ARG A 20 50.738 -3.621 -3.386 1.00 0.00 C ATOM 349 NH1 ARG A 20 49.714 -3.519 -4.189 1.00 0.00 N ATOM 350 NH2 ARG A 20 50.869 -4.675 -2.628 1.00 0.00 N ATOM 0 H ARG A 20 52.780 2.516 -2.933 1.00 0.00 H new ATOM 0 HA ARG A 20 54.795 0.620 -2.231 1.00 0.00 H new ATOM 0 HB2 ARG A 20 52.214 0.693 -3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 20 53.312 -0.543 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 20 53.542 -1.502 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 20 52.683 -0.156 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 20 50.997 -1.828 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 20 50.694 -0.813 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 20 52.470 -2.725 -3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 20 49.609 -2.694 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG A 20 49.019 -4.264 -4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 20 51.667 -4.754 -1.998 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.173 -5.420 -2.666 1.00 0.00 H new ATOM 364 N TRP A 21 54.876 1.614 -5.388 1.00 0.00 N ATOM 365 CA TRP A 21 55.826 1.615 -6.533 1.00 0.00 C ATOM 366 C TRP A 21 56.949 2.625 -6.262 1.00 0.00 C ATOM 367 O TRP A 21 57.960 2.626 -6.941 1.00 0.00 O ATOM 368 CB TRP A 21 55.097 1.840 -7.874 1.00 0.00 C ATOM 369 CG TRP A 21 55.021 0.502 -8.567 1.00 0.00 C ATOM 370 CD1 TRP A 21 55.248 0.262 -9.880 1.00 0.00 C ATOM 371 CD2 TRP A 21 54.748 -0.796 -7.959 1.00 0.00 C ATOM 372 NE1 TRP A 21 55.137 -1.106 -10.108 1.00 0.00 N ATOM 373 CE2 TRP A 21 54.830 -1.797 -8.946 1.00 0.00 C ATOM 374 CE3 TRP A 21 54.440 -1.188 -6.650 1.00 0.00 C ATOM 375 CZ2 TRP A 21 54.621 -3.148 -8.628 1.00 0.00 C ATOM 376 CZ3 TRP A 21 54.231 -2.523 -6.323 1.00 0.00 C ATOM 377 CH2 TRP A 21 54.325 -3.510 -7.310 1.00 0.00 C ATOM 0 H TRP A 21 53.983 2.081 -5.545 1.00 0.00 H new ATOM 0 HA TRP A 21 56.290 0.633 -6.627 1.00 0.00 H new ATOM 0 HB2 TRP A 21 54.099 2.244 -7.707 1.00 0.00 H new ATOM 0 HB3 TRP A 21 55.635 2.562 -8.488 1.00 0.00 H new ATOM 0 HD1 TRP A 21 55.477 1.008 -10.626 1.00 0.00 H new ATOM 0 HE1 TRP A 21 55.266 -1.547 -11.019 1.00 0.00 H new ATOM 0 HE3 TRP A 21 54.363 -0.437 -5.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 54.688 -3.904 -9.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 53.996 -2.799 -5.306 1.00 0.00 H new ATOM 0 HH2 TRP A 21 54.170 -4.548 -7.055 1.00 0.00 H new ATOM 388 N SER A 22 56.830 3.411 -5.207 1.00 0.00 N ATOM 389 CA SER A 22 57.938 4.317 -4.826 1.00 0.00 C ATOM 390 C SER A 22 58.985 3.416 -4.170 1.00 0.00 C ATOM 391 O SER A 22 60.172 3.552 -4.389 1.00 0.00 O ATOM 392 CB SER A 22 57.445 5.369 -3.830 1.00 0.00 C ATOM 393 OG SER A 22 58.534 6.198 -3.446 1.00 0.00 O ATOM 0 H SER A 22 56.009 3.453 -4.604 1.00 0.00 H new ATOM 0 HA SER A 22 58.341 4.853 -5.685 1.00 0.00 H new ATOM 0 HB2 SER A 22 56.656 5.971 -4.280 1.00 0.00 H new ATOM 0 HB3 SER A 22 57.015 4.884 -2.954 1.00 0.00 H new ATOM 0 HG SER A 22 58.222 6.874 -2.809 1.00 0.00 H new ATOM 399 N LEU A 23 58.526 2.436 -3.406 1.00 0.00 N ATOM 400 CA LEU A 23 59.454 1.451 -2.775 1.00 0.00 C ATOM 401 C LEU A 23 60.270 0.816 -3.892 1.00 0.00 C ATOM 402 O LEU A 23 61.468 0.678 -3.810 1.00 0.00 O ATOM 403 CB LEU A 23 58.651 0.321 -2.105 1.00 0.00 C ATOM 404 CG LEU A 23 57.878 0.820 -0.884 1.00 0.00 C ATOM 405 CD1 LEU A 23 56.590 -0.009 -0.739 1.00 0.00 C ATOM 406 CD2 LEU A 23 58.742 0.639 0.370 1.00 0.00 C ATOM 0 H LEU A 23 57.539 2.285 -3.198 1.00 0.00 H new ATOM 0 HA LEU A 23 60.076 1.955 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 23 57.954 -0.107 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 23 59.329 -0.478 -1.804 1.00 0.00 H new ATOM 0 HG LEU A 23 57.629 1.874 -1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 23 56.030 0.338 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 23 55.980 0.107 -1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 23 56.847 -1.060 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 23 58.195 0.994 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 23 58.983 -0.416 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 23 59.664 1.211 0.263 1.00 0.00 H new ATOM 418 N GLU A 24 59.591 0.426 -4.938 1.00 0.00 N ATOM 419 CA GLU A 24 60.272 -0.223 -6.105 1.00 0.00 C ATOM 420 C GLU A 24 61.437 0.626 -6.620 1.00 0.00 C ATOM 421 O GLU A 24 62.497 0.110 -6.906 1.00 0.00 O ATOM 422 CB GLU A 24 59.260 -0.406 -7.240 1.00 0.00 C ATOM 423 CG GLU A 24 59.598 -1.676 -8.025 1.00 0.00 C ATOM 424 CD GLU A 24 59.121 -1.527 -9.470 1.00 0.00 C ATOM 425 OE1 GLU A 24 59.868 -0.987 -10.268 1.00 0.00 O ATOM 426 OE2 GLU A 24 58.014 -1.956 -9.753 1.00 0.00 O ATOM 0 H GLU A 24 58.581 0.529 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 24 60.664 -1.185 -5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 24 58.251 -0.474 -6.834 1.00 0.00 H new ATOM 0 HB3 GLU A 24 59.279 0.460 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 24 60.673 -1.854 -8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 24 59.122 -2.540 -7.561 1.00 0.00 H new ATOM 433 N THR A 25 61.244 1.911 -6.766 1.00 0.00 N ATOM 434 CA THR A 25 62.342 2.778 -7.289 1.00 0.00 C ATOM 435 C THR A 25 63.502 2.818 -6.294 1.00 0.00 C ATOM 436 O THR A 25 64.650 2.951 -6.674 1.00 0.00 O ATOM 437 CB THR A 25 61.813 4.196 -7.509 1.00 0.00 C ATOM 438 OG1 THR A 25 60.593 4.138 -8.235 1.00 0.00 O ATOM 439 CG2 THR A 25 62.842 5.006 -8.299 1.00 0.00 C ATOM 0 H THR A 25 60.375 2.397 -6.546 1.00 0.00 H new ATOM 0 HA THR A 25 62.697 2.367 -8.234 1.00 0.00 H new ATOM 0 HB THR A 25 61.638 4.674 -6.545 1.00 0.00 H new ATOM 0 HG1 THR A 25 60.252 5.046 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 25 62.466 6.017 -8.456 1.00 0.00 H new ATOM 0 HG22 THR A 25 63.777 5.049 -7.741 1.00 0.00 H new ATOM 0 HG23 THR A 25 63.017 4.530 -9.264 1.00 0.00 H new ATOM 447 N MET A 26 63.209 2.724 -5.025 1.00 0.00 N ATOM 448 CA MET A 26 64.292 2.780 -3.994 1.00 0.00 C ATOM 449 C MET A 26 65.058 1.449 -3.925 1.00 0.00 C ATOM 450 O MET A 26 66.223 1.420 -3.571 1.00 0.00 O ATOM 451 CB MET A 26 63.664 3.078 -2.626 1.00 0.00 C ATOM 452 CG MET A 26 63.846 4.559 -2.286 1.00 0.00 C ATOM 453 SD MET A 26 62.665 5.032 -0.999 1.00 0.00 S ATOM 454 CE MET A 26 63.355 4.009 0.324 1.00 0.00 C ATOM 0 H MET A 26 62.265 2.611 -4.655 1.00 0.00 H new ATOM 0 HA MET A 26 64.996 3.566 -4.268 1.00 0.00 H new ATOM 0 HB2 MET A 26 62.604 2.826 -2.639 1.00 0.00 H new ATOM 0 HB3 MET A 26 64.129 2.459 -1.859 1.00 0.00 H new ATOM 0 HG2 MET A 26 64.865 4.742 -1.945 1.00 0.00 H new ATOM 0 HG3 MET A 26 63.694 5.169 -3.176 1.00 0.00 H new ATOM 0 HE1 MET A 26 62.967 4.346 1.285 1.00 0.00 H new ATOM 0 HE2 MET A 26 63.073 2.968 0.164 1.00 0.00 H new ATOM 0 HE3 MET A 26 64.442 4.095 0.321 1.00 0.00 H new ATOM 464 N PHE A 27 64.415 0.354 -4.238 1.00 0.00 N ATOM 465 CA PHE A 27 65.099 -0.973 -4.168 1.00 0.00 C ATOM 466 C PHE A 27 65.740 -1.335 -5.514 1.00 0.00 C ATOM 467 O PHE A 27 66.581 -2.211 -5.585 1.00 0.00 O ATOM 468 CB PHE A 27 64.075 -2.052 -3.787 1.00 0.00 C ATOM 469 CG PHE A 27 63.835 -2.009 -2.296 1.00 0.00 C ATOM 470 CD1 PHE A 27 64.786 -2.537 -1.414 1.00 0.00 C ATOM 471 CD2 PHE A 27 62.661 -1.436 -1.794 1.00 0.00 C ATOM 472 CE1 PHE A 27 64.563 -2.490 -0.032 1.00 0.00 C ATOM 473 CE2 PHE A 27 62.437 -1.389 -0.413 1.00 0.00 C ATOM 474 CZ PHE A 27 63.387 -1.917 0.468 1.00 0.00 C ATOM 0 H PHE A 27 63.441 0.321 -4.540 1.00 0.00 H new ATOM 0 HA PHE A 27 65.886 -0.917 -3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 27 63.140 -1.887 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 27 64.441 -3.036 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 27 65.692 -2.981 -1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 27 61.926 -1.029 -2.473 1.00 0.00 H new ATOM 0 HE1 PHE A 27 65.298 -2.896 0.648 1.00 0.00 H new ATOM 0 HE2 PHE A 27 61.531 -0.945 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 27 63.213 -1.883 1.533 1.00 0.00 H new ATOM 484 N LEU A 28 65.338 -0.690 -6.580 1.00 0.00 N ATOM 485 CA LEU A 28 65.910 -1.019 -7.920 1.00 0.00 C ATOM 486 C LEU A 28 67.133 -0.148 -8.242 1.00 0.00 C ATOM 487 O LEU A 28 67.702 -0.260 -9.312 1.00 0.00 O ATOM 488 CB LEU A 28 64.835 -0.806 -8.985 1.00 0.00 C ATOM 489 CG LEU A 28 63.692 -1.796 -8.757 1.00 0.00 C ATOM 490 CD1 LEU A 28 62.502 -1.408 -9.633 1.00 0.00 C ATOM 491 CD2 LEU A 28 64.156 -3.207 -9.123 1.00 0.00 C ATOM 0 H LEU A 28 64.637 0.051 -6.580 1.00 0.00 H new ATOM 0 HA LEU A 28 66.235 -2.059 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.460 0.216 -8.940 1.00 0.00 H new ATOM 0 HB3 LEU A 28 65.259 -0.946 -9.979 1.00 0.00 H new ATOM 0 HG LEU A 28 63.396 -1.773 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.686 -2.113 -9.472 1.00 0.00 H new ATOM 0 HD12 LEU A 28 62.170 -0.403 -9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 28 62.799 -1.431 -10.681 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.341 -3.912 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.453 -3.232 -10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 28 65.005 -3.484 -8.499 1.00 0.00 H new ATOM 503 N LYS A 29 67.553 0.709 -7.339 1.00 0.00 N ATOM 504 CA LYS A 29 68.747 1.562 -7.623 1.00 0.00 C ATOM 505 C LYS A 29 69.969 0.940 -6.946 1.00 0.00 C ATOM 506 O LYS A 29 71.070 0.975 -7.462 1.00 0.00 O ATOM 507 CB LYS A 29 68.512 2.989 -7.096 1.00 0.00 C ATOM 508 CG LYS A 29 68.394 2.992 -5.564 1.00 0.00 C ATOM 509 CD LYS A 29 67.824 4.334 -5.099 1.00 0.00 C ATOM 510 CE LYS A 29 68.491 4.750 -3.786 1.00 0.00 C ATOM 511 NZ LYS A 29 68.467 6.234 -3.666 1.00 0.00 N ATOM 0 H LYS A 29 67.123 0.852 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 29 68.915 1.618 -8.699 1.00 0.00 H new ATOM 0 HB2 LYS A 29 69.334 3.635 -7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 29 67.603 3.399 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 29 67.748 2.177 -5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 29 69.372 2.824 -5.113 1.00 0.00 H new ATOM 0 HD2 LYS A 29 67.992 5.095 -5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.746 4.254 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.970 4.298 -2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 29 69.519 4.389 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.920 6.518 -2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 68.982 6.655 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 67.482 6.567 -3.675 1.00 0.00 H new ATOM 525 N CYS A 30 69.765 0.362 -5.794 1.00 0.00 N ATOM 526 CA CYS A 30 70.880 -0.284 -5.058 1.00 0.00 C ATOM 527 C CYS A 30 70.354 -1.590 -4.426 1.00 0.00 C ATOM 528 O CYS A 30 69.399 -1.544 -3.676 1.00 0.00 O ATOM 529 CB CYS A 30 71.367 0.651 -3.949 1.00 0.00 C ATOM 530 SG CYS A 30 72.226 2.066 -4.683 1.00 0.00 S ATOM 0 H CYS A 30 68.859 0.311 -5.328 1.00 0.00 H new ATOM 0 HA CYS A 30 71.705 -0.497 -5.738 1.00 0.00 H new ATOM 0 HB2 CYS A 30 70.522 0.995 -3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 30 72.036 0.116 -3.276 1.00 0.00 H new ATOM 0 HG CYS A 30 72.202 1.964 -5.979 1.00 0.00 H new ATOM 536 N PRO A 31 70.968 -2.723 -4.730 1.00 0.00 N ATOM 537 CA PRO A 31 70.538 -4.017 -4.172 1.00 0.00 C ATOM 538 C PRO A 31 71.246 -4.265 -2.840 1.00 0.00 C ATOM 539 O PRO A 31 71.651 -5.377 -2.551 1.00 0.00 O ATOM 540 CB PRO A 31 71.043 -5.032 -5.196 1.00 0.00 C ATOM 541 CG PRO A 31 72.230 -4.355 -5.919 1.00 0.00 C ATOM 542 CD PRO A 31 72.119 -2.843 -5.648 1.00 0.00 C ATOM 0 HA PRO A 31 69.464 -4.068 -3.996 1.00 0.00 H new ATOM 0 HB2 PRO A 31 71.358 -5.954 -4.708 1.00 0.00 H new ATOM 0 HB3 PRO A 31 70.256 -5.298 -5.902 1.00 0.00 H new ATOM 0 HG2 PRO A 31 73.179 -4.744 -5.550 1.00 0.00 H new ATOM 0 HG3 PRO A 31 72.196 -4.558 -6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 31 73.031 -2.451 -5.197 1.00 0.00 H new ATOM 0 HD3 PRO A 31 71.954 -2.284 -6.569 1.00 0.00 H new ATOM 550 N LYS A 32 71.424 -3.244 -2.035 1.00 0.00 N ATOM 551 CA LYS A 32 72.134 -3.441 -0.745 1.00 0.00 C ATOM 552 C LYS A 32 71.280 -2.977 0.467 1.00 0.00 C ATOM 553 O LYS A 32 71.801 -2.307 1.339 1.00 0.00 O ATOM 554 CB LYS A 32 73.445 -2.641 -0.780 1.00 0.00 C ATOM 555 CG LYS A 32 73.167 -1.200 -1.229 1.00 0.00 C ATOM 556 CD LYS A 32 74.059 -0.233 -0.447 1.00 0.00 C ATOM 557 CE LYS A 32 73.474 1.178 -0.531 1.00 0.00 C ATOM 558 NZ LYS A 32 72.064 1.162 -0.046 1.00 0.00 N ATOM 0 H LYS A 32 71.108 -2.292 -2.219 1.00 0.00 H new ATOM 0 HA LYS A 32 72.329 -4.506 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 32 73.907 -2.641 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 32 74.151 -3.114 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 32 73.355 -1.100 -2.298 1.00 0.00 H new ATOM 0 HG3 LYS A 32 72.118 -0.954 -1.066 1.00 0.00 H new ATOM 0 HD2 LYS A 32 74.130 -0.548 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 32 75.070 -0.244 -0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 32 74.069 1.866 0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 32 73.512 1.538 -1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 71.842 2.072 0.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 71.422 1.009 -0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 71.943 0.394 0.645 1.00 0.00 H new ATOM 572 N PRO A 33 70.003 -3.343 0.531 1.00 0.00 N ATOM 573 CA PRO A 33 69.159 -2.948 1.673 1.00 0.00 C ATOM 574 C PRO A 33 69.447 -3.851 2.875 1.00 0.00 C ATOM 575 O PRO A 33 69.553 -5.056 2.746 1.00 0.00 O ATOM 576 CB PRO A 33 67.731 -3.168 1.176 1.00 0.00 C ATOM 577 CG PRO A 33 67.828 -4.201 0.034 1.00 0.00 C ATOM 578 CD PRO A 33 69.279 -4.154 -0.483 1.00 0.00 C ATOM 0 HA PRO A 33 69.337 -1.922 1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 33 67.091 -3.534 1.979 1.00 0.00 H new ATOM 0 HB3 PRO A 33 67.294 -2.235 0.821 1.00 0.00 H new ATOM 0 HG2 PRO A 33 67.577 -5.199 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 33 67.125 -3.963 -0.764 1.00 0.00 H new ATOM 0 HD2 PRO A 33 69.703 -5.154 -0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 33 69.335 -3.698 -1.471 1.00 0.00 H new ATOM 586 N SER A 34 69.563 -3.275 4.040 1.00 0.00 N ATOM 587 CA SER A 34 69.831 -4.080 5.260 1.00 0.00 C ATOM 588 C SER A 34 68.507 -4.506 5.871 1.00 0.00 C ATOM 589 O SER A 34 67.523 -3.801 5.772 1.00 0.00 O ATOM 590 CB SER A 34 70.609 -3.230 6.267 1.00 0.00 C ATOM 591 OG SER A 34 71.411 -2.287 5.565 1.00 0.00 O ATOM 0 H SER A 34 69.482 -2.271 4.198 1.00 0.00 H new ATOM 0 HA SER A 34 70.418 -4.962 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 34 69.919 -2.713 6.934 1.00 0.00 H new ATOM 0 HB3 SER A 34 71.237 -3.867 6.890 1.00 0.00 H new ATOM 0 HG SER A 34 71.910 -1.739 6.207 1.00 0.00 H new ATOM 597 N LEU A 35 68.471 -5.642 6.530 1.00 0.00 N ATOM 598 CA LEU A 35 67.199 -6.077 7.186 1.00 0.00 C ATOM 599 C LEU A 35 66.805 -5.008 8.213 1.00 0.00 C ATOM 600 O LEU A 35 65.646 -4.847 8.552 1.00 0.00 O ATOM 601 CB LEU A 35 67.407 -7.424 7.886 1.00 0.00 C ATOM 602 CG LEU A 35 67.744 -8.493 6.836 1.00 0.00 C ATOM 603 CD1 LEU A 35 69.202 -8.934 6.994 1.00 0.00 C ATOM 604 CD2 LEU A 35 66.829 -9.709 7.017 1.00 0.00 C ATOM 0 H LEU A 35 69.260 -6.279 6.640 1.00 0.00 H new ATOM 0 HA LEU A 35 66.411 -6.194 6.442 1.00 0.00 H new ATOM 0 HB2 LEU A 35 68.213 -7.347 8.616 1.00 0.00 H new ATOM 0 HB3 LEU A 35 66.507 -7.706 8.433 1.00 0.00 H new ATOM 0 HG LEU A 35 67.595 -8.070 5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.436 -9.692 6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.859 -8.075 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 35 69.351 -9.349 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 35 67.074 -10.463 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 35 66.972 -10.127 8.014 1.00 0.00 H new ATOM 0 HD23 LEU A 35 65.790 -9.403 6.897 1.00 0.00 H new ATOM 616 N GLN A 36 67.775 -4.247 8.671 1.00 0.00 N ATOM 617 CA GLN A 36 67.474 -3.154 9.637 1.00 0.00 C ATOM 618 C GLN A 36 66.806 -2.029 8.855 1.00 0.00 C ATOM 619 O GLN A 36 65.879 -1.398 9.320 1.00 0.00 O ATOM 620 CB GLN A 36 68.771 -2.646 10.275 1.00 0.00 C ATOM 621 CG GLN A 36 68.487 -2.177 11.705 1.00 0.00 C ATOM 622 CD GLN A 36 67.627 -0.911 11.669 1.00 0.00 C ATOM 623 OE1 GLN A 36 67.772 -0.090 10.785 1.00 0.00 O ATOM 624 NE2 GLN A 36 66.732 -0.717 12.600 1.00 0.00 N ATOM 0 H GLN A 36 68.758 -4.340 8.414 1.00 0.00 H new ATOM 0 HA GLN A 36 66.822 -3.513 10.433 1.00 0.00 H new ATOM 0 HB2 GLN A 36 69.520 -3.438 10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 36 69.181 -1.825 9.686 1.00 0.00 H new ATOM 0 HG2 GLN A 36 67.974 -2.962 12.261 1.00 0.00 H new ATOM 0 HG3 GLN A 36 69.424 -1.978 12.226 1.00 0.00 H new ATOM 0 HE21 GLN A 36 66.610 -1.406 13.342 1.00 0.00 H new ATOM 0 HE22 GLN A 36 66.155 0.124 12.585 1.00 0.00 H new ATOM 633 N GLN A 37 67.274 -1.793 7.654 1.00 0.00 N ATOM 634 CA GLN A 37 66.673 -0.730 6.802 1.00 0.00 C ATOM 635 C GLN A 37 65.306 -1.194 6.281 1.00 0.00 C ATOM 636 O GLN A 37 64.511 -0.387 5.844 1.00 0.00 O ATOM 637 CB GLN A 37 67.595 -0.422 5.619 1.00 0.00 C ATOM 638 CG GLN A 37 67.251 0.962 5.050 1.00 0.00 C ATOM 639 CD GLN A 37 68.541 1.718 4.719 1.00 0.00 C ATOM 640 OE1 GLN A 37 69.022 2.497 5.517 1.00 0.00 O ATOM 641 NE2 GLN A 37 69.125 1.521 3.568 1.00 0.00 N ATOM 0 H GLN A 37 68.052 -2.297 7.228 1.00 0.00 H new ATOM 0 HA GLN A 37 66.546 0.173 7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 37 68.636 -0.447 5.940 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.481 -1.183 4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.640 0.856 4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 37 66.662 1.527 5.772 1.00 0.00 H new ATOM 0 HE21 GLN A 37 68.722 0.867 2.897 1.00 0.00 H new ATOM 0 HE22 GLN A 37 69.984 2.021 3.340 1.00 0.00 H new ATOM 650 N ILE A 38 65.010 -2.480 6.343 1.00 0.00 N ATOM 651 CA ILE A 38 63.672 -2.955 5.878 1.00 0.00 C ATOM 652 C ILE A 38 62.687 -2.643 6.999 1.00 0.00 C ATOM 653 O ILE A 38 61.575 -2.212 6.760 1.00 0.00 O ATOM 654 CB ILE A 38 63.718 -4.462 5.533 1.00 0.00 C ATOM 655 CG1 ILE A 38 64.455 -4.636 4.192 1.00 0.00 C ATOM 656 CG2 ILE A 38 62.294 -5.054 5.410 1.00 0.00 C ATOM 657 CD1 ILE A 38 63.712 -3.880 3.076 1.00 0.00 C ATOM 0 H ILE A 38 65.634 -3.207 6.692 1.00 0.00 H new ATOM 0 HA ILE A 38 63.361 -2.452 4.962 1.00 0.00 H new ATOM 0 HB ILE A 38 64.237 -4.989 6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 38 65.475 -4.262 4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 38 64.524 -5.694 3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 38 62.361 -6.114 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 38 61.766 -4.931 6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 38 61.751 -4.534 4.621 1.00 0.00 H new ATOM 0 HD11 ILE A 38 64.242 -4.010 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 38 62.700 -4.274 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 38 63.666 -2.819 3.323 1.00 0.00 H new ATOM 669 N THR A 39 63.118 -2.794 8.224 1.00 0.00 N ATOM 670 CA THR A 39 62.238 -2.432 9.374 1.00 0.00 C ATOM 671 C THR A 39 62.023 -0.913 9.305 1.00 0.00 C ATOM 672 O THR A 39 60.947 -0.398 9.561 1.00 0.00 O ATOM 673 CB THR A 39 62.927 -2.803 10.692 1.00 0.00 C ATOM 674 OG1 THR A 39 63.374 -4.150 10.629 1.00 0.00 O ATOM 675 CG2 THR A 39 61.941 -2.643 11.851 1.00 0.00 C ATOM 0 H THR A 39 64.039 -3.151 8.477 1.00 0.00 H new ATOM 0 HA THR A 39 61.288 -2.965 9.327 1.00 0.00 H new ATOM 0 HB THR A 39 63.780 -2.144 10.853 1.00 0.00 H new ATOM 0 HG1 THR A 39 63.816 -4.388 11.471 1.00 0.00 H new ATOM 0 HG21 THR A 39 62.433 -2.907 12.787 1.00 0.00 H new ATOM 0 HG22 THR A 39 61.601 -1.608 11.899 1.00 0.00 H new ATOM 0 HG23 THR A 39 61.085 -3.299 11.694 1.00 0.00 H new ATOM 683 N HIS A 40 63.054 -0.204 8.907 1.00 0.00 N ATOM 684 CA HIS A 40 62.956 1.272 8.754 1.00 0.00 C ATOM 685 C HIS A 40 62.109 1.578 7.521 1.00 0.00 C ATOM 686 O HIS A 40 61.509 2.623 7.432 1.00 0.00 O ATOM 687 CB HIS A 40 64.359 1.867 8.581 1.00 0.00 C ATOM 688 CG HIS A 40 64.453 3.171 9.329 1.00 0.00 C ATOM 689 ND1 HIS A 40 65.245 4.222 8.891 1.00 0.00 N ATOM 690 CD2 HIS A 40 63.860 3.607 10.487 1.00 0.00 C ATOM 691 CE1 HIS A 40 65.109 5.227 9.776 1.00 0.00 C ATOM 692 NE2 HIS A 40 64.275 4.905 10.767 1.00 0.00 N ATOM 0 H HIS A 40 63.968 -0.596 8.680 1.00 0.00 H new ATOM 0 HA HIS A 40 62.495 1.710 9.639 1.00 0.00 H new ATOM 0 HB2 HIS A 40 65.109 1.169 8.952 1.00 0.00 H new ATOM 0 HB3 HIS A 40 64.569 2.027 7.523 1.00 0.00 H new ATOM 0 HD2 HIS A 40 63.175 3.030 11.090 1.00 0.00 H new ATOM 0 HE1 HIS A 40 65.613 6.178 9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 40 64.001 5.486 11.559 1.00 0.00 H new ATOM 700 N ILE A 41 62.033 0.656 6.582 1.00 0.00 N ATOM 701 CA ILE A 41 61.192 0.874 5.371 1.00 0.00 C ATOM 702 C ILE A 41 59.741 0.944 5.854 1.00 0.00 C ATOM 703 O ILE A 41 58.962 1.756 5.416 1.00 0.00 O ATOM 704 CB ILE A 41 61.397 -0.310 4.375 1.00 0.00 C ATOM 705 CG1 ILE A 41 62.121 0.195 3.114 1.00 0.00 C ATOM 706 CG2 ILE A 41 60.056 -0.946 3.945 1.00 0.00 C ATOM 707 CD1 ILE A 41 63.627 -0.055 3.231 1.00 0.00 C ATOM 0 H ILE A 41 62.522 -0.239 6.610 1.00 0.00 H new ATOM 0 HA ILE A 41 61.461 1.792 4.848 1.00 0.00 H new ATOM 0 HB ILE A 41 61.990 -1.066 4.890 1.00 0.00 H new ATOM 0 HG12 ILE A 41 61.728 -0.313 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 41 61.931 1.260 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 41 60.248 -1.765 3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.536 -1.328 4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 41 59.437 -0.194 3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 41 64.127 0.307 2.332 1.00 0.00 H new ATOM 0 HD12 ILE A 41 64.017 0.473 4.101 1.00 0.00 H new ATOM 0 HD13 ILE A 41 63.811 -1.124 3.343 1.00 0.00 H new ATOM 719 N ALA A 42 59.392 0.067 6.757 1.00 0.00 N ATOM 720 CA ALA A 42 58.006 0.028 7.291 1.00 0.00 C ATOM 721 C ALA A 42 57.691 1.363 7.950 1.00 0.00 C ATOM 722 O ALA A 42 56.743 2.035 7.591 1.00 0.00 O ATOM 723 CB ALA A 42 57.895 -1.105 8.307 1.00 0.00 C ATOM 0 H ALA A 42 60.021 -0.633 7.151 1.00 0.00 H new ATOM 0 HA ALA A 42 57.294 -0.148 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 42 56.880 -1.140 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 42 58.128 -2.053 7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 42 58.597 -0.933 9.122 1.00 0.00 H new ATOM 729 N ASN A 43 58.512 1.775 8.876 1.00 0.00 N ATOM 730 CA ASN A 43 58.300 3.099 9.523 1.00 0.00 C ATOM 731 C ASN A 43 58.448 4.204 8.455 1.00 0.00 C ATOM 732 O ASN A 43 58.032 5.330 8.649 1.00 0.00 O ATOM 733 CB ASN A 43 59.356 3.297 10.618 1.00 0.00 C ATOM 734 CG ASN A 43 58.678 3.676 11.938 1.00 0.00 C ATOM 735 OD1 ASN A 43 58.400 2.824 12.759 1.00 0.00 O ATOM 736 ND2 ASN A 43 58.400 4.928 12.178 1.00 0.00 N ATOM 0 H ASN A 43 59.320 1.252 9.212 1.00 0.00 H new ATOM 0 HA ASN A 43 57.305 3.147 9.966 1.00 0.00 H new ATOM 0 HB2 ASN A 43 59.934 2.382 10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 43 60.056 4.078 10.322 1.00 0.00 H new ATOM 0 HD21 ASN A 43 57.950 5.191 13.054 1.00 0.00 H new ATOM 0 HD22 ASN A 43 58.633 5.643 11.489 1.00 0.00 H new ATOM 743 N GLN A 44 59.052 3.878 7.334 1.00 0.00 N ATOM 744 CA GLN A 44 59.254 4.875 6.249 1.00 0.00 C ATOM 745 C GLN A 44 57.932 5.145 5.522 1.00 0.00 C ATOM 746 O GLN A 44 57.648 6.274 5.167 1.00 0.00 O ATOM 747 CB GLN A 44 60.291 4.317 5.263 1.00 0.00 C ATOM 748 CG GLN A 44 61.536 5.216 5.212 1.00 0.00 C ATOM 749 CD GLN A 44 62.247 5.210 6.569 1.00 0.00 C ATOM 750 OE1 GLN A 44 63.117 4.395 6.805 1.00 0.00 O ATOM 751 NE2 GLN A 44 61.924 6.096 7.471 1.00 0.00 N ATOM 0 H GLN A 44 59.416 2.948 7.129 1.00 0.00 H new ATOM 0 HA GLN A 44 59.608 5.815 6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 44 60.577 3.309 5.562 1.00 0.00 H new ATOM 0 HB3 GLN A 44 59.850 4.242 4.269 1.00 0.00 H new ATOM 0 HG2 GLN A 44 62.216 4.865 4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 44 61.248 6.234 4.948 1.00 0.00 H new ATOM 0 HE21 GLN A 44 61.194 6.781 7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 44 62.402 6.104 8.372 1.00 0.00 H new ATOM 760 N LEU A 45 57.114 4.133 5.300 1.00 0.00 N ATOM 761 CA LEU A 45 55.812 4.385 4.597 1.00 0.00 C ATOM 762 C LEU A 45 54.635 4.376 5.591 1.00 0.00 C ATOM 763 O LEU A 45 53.499 4.585 5.206 1.00 0.00 O ATOM 764 CB LEU A 45 55.561 3.413 3.408 1.00 0.00 C ATOM 765 CG LEU A 45 56.293 2.061 3.540 1.00 0.00 C ATOM 766 CD1 LEU A 45 55.611 1.019 2.630 1.00 0.00 C ATOM 767 CD2 LEU A 45 57.729 2.206 3.072 1.00 0.00 C ATOM 0 H LEU A 45 57.289 3.165 5.570 1.00 0.00 H new ATOM 0 HA LEU A 45 55.884 5.381 4.161 1.00 0.00 H new ATOM 0 HB2 LEU A 45 54.490 3.228 3.322 1.00 0.00 H new ATOM 0 HB3 LEU A 45 55.876 3.897 2.483 1.00 0.00 H new ATOM 0 HG LEU A 45 56.261 1.747 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 45 56.127 0.063 2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 45 54.570 0.900 2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 45 55.654 1.357 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 45 58.241 1.249 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 45 57.742 2.522 2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 45 58.237 2.952 3.683 1.00 0.00 H new ATOM 779 N GLY A 46 54.895 4.193 6.868 1.00 0.00 N ATOM 780 CA GLY A 46 53.790 4.238 7.879 1.00 0.00 C ATOM 781 C GLY A 46 53.121 2.872 8.069 1.00 0.00 C ATOM 782 O GLY A 46 52.058 2.788 8.657 1.00 0.00 O ATOM 0 H GLY A 46 55.824 4.015 7.251 1.00 0.00 H new ATOM 0 HA2 GLY A 46 54.188 4.581 8.834 1.00 0.00 H new ATOM 0 HA3 GLY A 46 53.042 4.966 7.565 1.00 0.00 H new ATOM 786 N LEU A 47 53.717 1.807 7.594 1.00 0.00 N ATOM 787 CA LEU A 47 53.078 0.456 7.777 1.00 0.00 C ATOM 788 C LEU A 47 54.049 -0.512 8.464 1.00 0.00 C ATOM 789 O LEU A 47 55.036 -0.108 9.045 1.00 0.00 O ATOM 790 CB LEU A 47 52.590 -0.131 6.426 1.00 0.00 C ATOM 791 CG LEU A 47 53.589 0.070 5.282 1.00 0.00 C ATOM 792 CD1 LEU A 47 53.604 1.530 4.853 1.00 0.00 C ATOM 793 CD2 LEU A 47 55.002 -0.365 5.679 1.00 0.00 C ATOM 0 H LEU A 47 54.606 1.807 7.094 1.00 0.00 H new ATOM 0 HA LEU A 47 52.205 0.588 8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 47 52.399 -1.197 6.549 1.00 0.00 H new ATOM 0 HB3 LEU A 47 51.642 0.334 6.157 1.00 0.00 H new ATOM 0 HG LEU A 47 53.266 -0.555 4.450 1.00 0.00 H new ATOM 0 HD11 LEU A 47 54.317 1.663 4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 47 52.609 1.820 4.515 1.00 0.00 H new ATOM 0 HD13 LEU A 47 53.896 2.154 5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 47 55.680 -0.207 4.841 1.00 0.00 H new ATOM 0 HD22 LEU A 47 55.337 0.223 6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 47 54.996 -1.422 5.946 1.00 0.00 H new ATOM 805 N GLU A 48 53.761 -1.790 8.401 1.00 0.00 N ATOM 806 CA GLU A 48 54.636 -2.812 9.038 1.00 0.00 C ATOM 807 C GLU A 48 55.641 -3.344 8.022 1.00 0.00 C ATOM 808 O GLU A 48 55.445 -3.246 6.835 1.00 0.00 O ATOM 809 CB GLU A 48 53.775 -3.975 9.530 1.00 0.00 C ATOM 810 CG GLU A 48 54.579 -4.828 10.516 1.00 0.00 C ATOM 811 CD GLU A 48 53.666 -5.298 11.650 1.00 0.00 C ATOM 812 OE1 GLU A 48 52.694 -5.976 11.360 1.00 0.00 O ATOM 813 OE2 GLU A 48 53.954 -4.972 12.790 1.00 0.00 O ATOM 0 H GLU A 48 52.942 -2.169 7.926 1.00 0.00 H new ATOM 0 HA GLU A 48 55.168 -2.355 9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 48 52.874 -3.595 10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 48 53.452 -4.584 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 55.010 -5.687 10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 48 55.410 -4.249 10.920 1.00 0.00 H new ATOM 820 N LYS A 49 56.701 -3.936 8.482 1.00 0.00 N ATOM 821 CA LYS A 49 57.705 -4.504 7.538 1.00 0.00 C ATOM 822 C LYS A 49 57.130 -5.767 6.865 1.00 0.00 C ATOM 823 O LYS A 49 57.706 -6.287 5.928 1.00 0.00 O ATOM 824 CB LYS A 49 58.975 -4.856 8.313 1.00 0.00 C ATOM 825 CG LYS A 49 60.033 -5.422 7.360 1.00 0.00 C ATOM 826 CD LYS A 49 60.049 -6.949 7.461 1.00 0.00 C ATOM 827 CE LYS A 49 60.675 -7.365 8.797 1.00 0.00 C ATOM 828 NZ LYS A 49 60.950 -8.836 8.805 1.00 0.00 N ATOM 0 H LYS A 49 56.920 -4.053 9.471 1.00 0.00 H new ATOM 0 HA LYS A 49 57.942 -3.771 6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 49 59.363 -3.969 8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 49 58.746 -5.586 9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 49 59.815 -5.117 6.336 1.00 0.00 H new ATOM 0 HG3 LYS A 49 61.015 -5.020 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 49 59.034 -7.340 7.385 1.00 0.00 H new ATOM 0 HD3 LYS A 49 60.617 -7.373 6.633 1.00 0.00 H new ATOM 0 HE2 LYS A 49 61.601 -6.814 8.960 1.00 0.00 H new ATOM 0 HE3 LYS A 49 60.004 -7.109 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 61.230 -9.132 9.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 60.093 -9.351 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 61.719 -9.049 8.138 1.00 0.00 H new ATOM 842 N ASP A 50 56.005 -6.266 7.334 1.00 0.00 N ATOM 843 CA ASP A 50 55.410 -7.492 6.723 1.00 0.00 C ATOM 844 C ASP A 50 54.716 -7.143 5.403 1.00 0.00 C ATOM 845 O ASP A 50 54.705 -7.937 4.480 1.00 0.00 O ATOM 846 CB ASP A 50 54.390 -8.098 7.688 1.00 0.00 C ATOM 847 CG ASP A 50 54.415 -9.623 7.568 1.00 0.00 C ATOM 848 OD1 ASP A 50 55.200 -10.241 8.269 1.00 0.00 O ATOM 849 OD2 ASP A 50 53.649 -10.148 6.776 1.00 0.00 O ATOM 0 H ASP A 50 55.478 -5.873 8.114 1.00 0.00 H new ATOM 0 HA ASP A 50 56.205 -8.211 6.527 1.00 0.00 H new ATOM 0 HB2 ASP A 50 54.620 -7.800 8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 50 53.392 -7.721 7.463 1.00 0.00 H new ATOM 854 N VAL A 51 54.145 -5.965 5.297 1.00 0.00 N ATOM 855 CA VAL A 51 53.465 -5.584 4.022 1.00 0.00 C ATOM 856 C VAL A 51 54.545 -5.308 2.985 1.00 0.00 C ATOM 857 O VAL A 51 54.458 -5.710 1.835 1.00 0.00 O ATOM 858 CB VAL A 51 52.574 -4.335 4.231 1.00 0.00 C ATOM 859 CG1 VAL A 51 53.412 -3.059 4.449 1.00 0.00 C ATOM 860 CG2 VAL A 51 51.690 -4.142 2.998 1.00 0.00 C ATOM 0 H VAL A 51 54.122 -5.259 6.032 1.00 0.00 H new ATOM 0 HA VAL A 51 52.816 -6.392 3.684 1.00 0.00 H new ATOM 0 HB VAL A 51 51.970 -4.499 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 51 52.747 -2.207 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 51 54.039 -3.182 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 51 54.043 -2.885 3.578 1.00 0.00 H new ATOM 0 HG21 VAL A 51 51.059 -3.264 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 51 52.318 -4.002 2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 51 51.062 -5.022 2.859 1.00 0.00 H new ATOM 870 N VAL A 52 55.570 -4.629 3.408 1.00 0.00 N ATOM 871 CA VAL A 52 56.688 -4.307 2.496 1.00 0.00 C ATOM 872 C VAL A 52 57.420 -5.607 2.106 1.00 0.00 C ATOM 873 O VAL A 52 58.043 -5.681 1.068 1.00 0.00 O ATOM 874 CB VAL A 52 57.617 -3.285 3.211 1.00 0.00 C ATOM 875 CG1 VAL A 52 58.899 -3.932 3.763 1.00 0.00 C ATOM 876 CG2 VAL A 52 57.982 -2.168 2.226 1.00 0.00 C ATOM 0 H VAL A 52 55.679 -4.280 4.360 1.00 0.00 H new ATOM 0 HA VAL A 52 56.333 -3.853 1.571 1.00 0.00 H new ATOM 0 HB VAL A 52 57.072 -2.884 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A 52 59.509 -3.172 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 52 58.635 -4.704 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 52 59.463 -4.379 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 52 58.633 -1.447 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 52 58.499 -2.595 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 52 57.074 -1.667 1.891 1.00 0.00 H new ATOM 886 N ARG A 53 57.356 -6.615 2.943 1.00 0.00 N ATOM 887 CA ARG A 53 58.053 -7.899 2.636 1.00 0.00 C ATOM 888 C ARG A 53 57.302 -8.660 1.539 1.00 0.00 C ATOM 889 O ARG A 53 57.906 -9.198 0.632 1.00 0.00 O ATOM 890 CB ARG A 53 58.117 -8.759 3.900 1.00 0.00 C ATOM 891 CG ARG A 53 58.986 -9.991 3.637 1.00 0.00 C ATOM 892 CD ARG A 53 60.430 -9.696 4.048 1.00 0.00 C ATOM 893 NE ARG A 53 61.152 -10.979 4.282 1.00 0.00 N ATOM 894 CZ ARG A 53 61.082 -11.564 5.447 1.00 0.00 C ATOM 895 NH1 ARG A 53 61.565 -10.971 6.505 1.00 0.00 N ATOM 896 NH2 ARG A 53 60.529 -12.741 5.554 1.00 0.00 N ATOM 0 H ARG A 53 56.849 -6.601 3.828 1.00 0.00 H new ATOM 0 HA ARG A 53 59.062 -7.680 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 53 58.530 -8.180 4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 53 57.113 -9.065 4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 53 58.604 -10.844 4.198 1.00 0.00 H new ATOM 0 HG3 ARG A 53 58.945 -10.259 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 53 60.931 -9.121 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 53 60.445 -9.088 4.952 1.00 0.00 H new ATOM 0 HE ARG A 53 61.701 -11.400 3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 53 61.997 -10.051 6.421 1.00 0.00 H new ATOM 0 HH12 ARG A 53 61.510 -11.428 7.415 1.00 0.00 H new ATOM 0 HH21 ARG A 53 60.151 -13.204 4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 53 60.474 -13.198 6.464 1.00 0.00 H new ATOM 910 N VAL A 54 55.991 -8.709 1.611 1.00 0.00 N ATOM 911 CA VAL A 54 55.210 -9.439 0.561 1.00 0.00 C ATOM 912 C VAL A 54 55.444 -8.770 -0.785 1.00 0.00 C ATOM 913 O VAL A 54 55.655 -9.441 -1.781 1.00 0.00 O ATOM 914 CB VAL A 54 53.719 -9.422 0.911 1.00 0.00 C ATOM 915 CG1 VAL A 54 52.935 -10.229 -0.128 1.00 0.00 C ATOM 916 CG2 VAL A 54 53.516 -10.049 2.291 1.00 0.00 C ATOM 0 H VAL A 54 55.432 -8.278 2.347 1.00 0.00 H new ATOM 0 HA VAL A 54 55.540 -10.477 0.512 1.00 0.00 H new ATOM 0 HB VAL A 54 53.362 -8.392 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 54 51.875 -10.215 0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 54 53.079 -9.789 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 54 53.292 -11.259 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 54 52.456 -10.038 2.543 1.00 0.00 H new ATOM 0 HG22 VAL A 54 53.876 -11.078 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 54 54.072 -9.478 3.035 1.00 0.00 H new ATOM 926 N TRP A 55 55.444 -7.461 -0.829 1.00 0.00 N ATOM 927 CA TRP A 55 55.714 -6.785 -2.125 1.00 0.00 C ATOM 928 C TRP A 55 57.195 -7.028 -2.467 1.00 0.00 C ATOM 929 O TRP A 55 57.566 -7.063 -3.626 1.00 0.00 O ATOM 930 CB TRP A 55 55.407 -5.273 -2.025 1.00 0.00 C ATOM 931 CG TRP A 55 56.089 -4.531 -3.143 1.00 0.00 C ATOM 932 CD1 TRP A 55 55.628 -4.407 -4.415 1.00 0.00 C ATOM 933 CD2 TRP A 55 57.376 -3.853 -3.111 1.00 0.00 C ATOM 934 NE1 TRP A 55 56.549 -3.683 -5.147 1.00 0.00 N ATOM 935 CE2 TRP A 55 57.633 -3.319 -4.389 1.00 0.00 C ATOM 936 CE3 TRP A 55 58.336 -3.640 -2.105 1.00 0.00 C ATOM 937 CZ2 TRP A 55 58.788 -2.609 -4.666 1.00 0.00 C ATOM 938 CZ3 TRP A 55 59.510 -2.923 -2.388 1.00 0.00 C ATOM 939 CH2 TRP A 55 59.734 -2.409 -3.666 1.00 0.00 C ATOM 0 H TRP A 55 55.271 -6.844 -0.036 1.00 0.00 H new ATOM 0 HA TRP A 55 55.074 -7.187 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 55 54.331 -5.109 -2.073 1.00 0.00 H new ATOM 0 HB3 TRP A 55 55.746 -4.888 -1.063 1.00 0.00 H new ATOM 0 HD1 TRP A 55 54.698 -4.807 -4.791 1.00 0.00 H new ATOM 0 HE1 TRP A 55 56.437 -3.447 -6.133 1.00 0.00 H new ATOM 0 HE3 TRP A 55 58.170 -4.029 -1.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 58.955 -2.211 -5.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 60.244 -2.768 -1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 55 60.638 -1.858 -3.878 1.00 0.00 H new ATOM 950 N PHE A 56 58.042 -7.198 -1.470 1.00 0.00 N ATOM 951 CA PHE A 56 59.479 -7.439 -1.774 1.00 0.00 C ATOM 952 C PHE A 56 59.748 -8.927 -1.971 1.00 0.00 C ATOM 953 O PHE A 56 60.849 -9.310 -2.313 1.00 0.00 O ATOM 954 CB PHE A 56 60.398 -6.870 -0.680 1.00 0.00 C ATOM 955 CG PHE A 56 61.622 -6.257 -1.340 1.00 0.00 C ATOM 956 CD1 PHE A 56 61.454 -5.334 -2.378 1.00 0.00 C ATOM 957 CD2 PHE A 56 62.912 -6.612 -0.930 1.00 0.00 C ATOM 958 CE1 PHE A 56 62.557 -4.772 -3.012 1.00 0.00 C ATOM 959 CE2 PHE A 56 64.025 -6.043 -1.567 1.00 0.00 C ATOM 960 CZ PHE A 56 63.841 -5.123 -2.610 1.00 0.00 C ATOM 0 H PHE A 56 57.798 -7.179 -0.480 1.00 0.00 H new ATOM 0 HA PHE A 56 59.705 -6.915 -2.703 1.00 0.00 H new ATOM 0 HB2 PHE A 56 59.868 -6.118 -0.095 1.00 0.00 H new ATOM 0 HB3 PHE A 56 60.697 -7.659 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 56 60.458 -5.055 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 56 63.050 -7.321 -0.127 1.00 0.00 H new ATOM 0 HE1 PHE A 56 62.416 -4.064 -3.815 1.00 0.00 H new ATOM 0 HE2 PHE A 56 65.023 -6.313 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 56 64.698 -4.687 -3.101 1.00 0.00 H new ATOM 970 N CYS A 57 58.753 -9.766 -1.822 1.00 0.00 N ATOM 971 CA CYS A 57 58.966 -11.211 -2.089 1.00 0.00 C ATOM 972 C CYS A 57 58.987 -11.346 -3.607 1.00 0.00 C ATOM 973 O CYS A 57 59.782 -12.070 -4.174 1.00 0.00 O ATOM 974 CB CYS A 57 57.821 -12.037 -1.498 1.00 0.00 C ATOM 975 SG CYS A 57 58.446 -13.656 -0.986 1.00 0.00 S ATOM 0 H CYS A 57 57.810 -9.510 -1.529 1.00 0.00 H new ATOM 0 HA CYS A 57 59.889 -11.574 -1.637 1.00 0.00 H new ATOM 0 HB2 CYS A 57 57.386 -11.517 -0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 57 57.028 -12.158 -2.236 1.00 0.00 H new ATOM 0 HG CYS A 57 57.474 -14.357 -0.482 1.00 0.00 H new ATOM 981 N ASN A 58 58.129 -10.603 -4.263 1.00 0.00 N ATOM 982 CA ASN A 58 58.097 -10.617 -5.750 1.00 0.00 C ATOM 983 C ASN A 58 59.197 -9.681 -6.276 1.00 0.00 C ATOM 984 O ASN A 58 59.803 -9.943 -7.298 1.00 0.00 O ATOM 985 CB ASN A 58 56.728 -10.137 -6.242 1.00 0.00 C ATOM 986 CG ASN A 58 56.417 -8.766 -5.639 1.00 0.00 C ATOM 987 OD1 ASN A 58 55.829 -8.675 -4.580 1.00 0.00 O ATOM 988 ND2 ASN A 58 56.791 -7.689 -6.273 1.00 0.00 N ATOM 0 H ASN A 58 57.447 -9.985 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 58 58.267 -11.630 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 58 56.722 -10.076 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 58 55.957 -10.853 -5.959 1.00 0.00 H new ATOM 0 HD21 ASN A 58 56.590 -6.770 -5.879 1.00 0.00 H new ATOM 0 HD22 ASN A 58 57.285 -7.766 -7.162 1.00 0.00 H new ATOM 995 N ARG A 59 59.471 -8.594 -5.576 1.00 0.00 N ATOM 996 CA ARG A 59 60.546 -7.656 -6.038 1.00 0.00 C ATOM 997 C ARG A 59 61.913 -8.322 -5.838 1.00 0.00 C ATOM 998 O ARG A 59 62.873 -7.979 -6.503 1.00 0.00 O ATOM 999 CB ARG A 59 60.489 -6.316 -5.255 1.00 0.00 C ATOM 1000 CG ARG A 59 60.297 -5.145 -6.229 1.00 0.00 C ATOM 1001 CD ARG A 59 61.428 -5.117 -7.269 1.00 0.00 C ATOM 1002 NE ARG A 59 60.844 -5.055 -8.639 1.00 0.00 N ATOM 1003 CZ ARG A 59 60.926 -6.090 -9.431 1.00 0.00 C ATOM 1004 NH1 ARG A 59 62.094 -6.590 -9.734 1.00 0.00 N ATOM 1005 NH2 ARG A 59 59.840 -6.626 -9.920 1.00 0.00 N ATOM 0 H ARG A 59 58.999 -8.322 -4.714 1.00 0.00 H new ATOM 0 HA ARG A 59 60.392 -7.435 -7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 59 59.670 -6.340 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 59 61.408 -6.179 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 59 59.335 -5.237 -6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 59 60.279 -4.205 -5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 59 62.072 -4.255 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 59 62.051 -6.006 -7.168 1.00 0.00 H new ATOM 0 HE ARG A 59 60.380 -4.204 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 59 62.942 -6.172 -9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 59 62.158 -7.398 -10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 59 58.928 -6.236 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 59 59.904 -7.434 -10.539 1.00 0.00 H new ATOM 1019 N ARG A 60 62.005 -9.285 -4.951 1.00 0.00 N ATOM 1020 CA ARG A 60 63.304 -9.985 -4.737 1.00 0.00 C ATOM 1021 C ARG A 60 63.366 -11.189 -5.676 1.00 0.00 C ATOM 1022 O ARG A 60 64.423 -11.581 -6.133 1.00 0.00 O ATOM 1023 CB ARG A 60 63.409 -10.459 -3.285 1.00 0.00 C ATOM 1024 CG ARG A 60 63.959 -9.326 -2.416 1.00 0.00 C ATOM 1025 CD ARG A 60 63.879 -9.722 -0.938 1.00 0.00 C ATOM 1026 NE ARG A 60 64.536 -11.046 -0.738 1.00 0.00 N ATOM 1027 CZ ARG A 60 64.444 -11.653 0.415 1.00 0.00 C ATOM 1028 NH1 ARG A 60 64.916 -11.085 1.491 1.00 0.00 N ATOM 1029 NH2 ARG A 60 63.882 -12.828 0.492 1.00 0.00 N ATOM 0 H ARG A 60 61.235 -9.613 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 60 64.130 -9.304 -4.943 1.00 0.00 H new ATOM 0 HB2 ARG A 60 62.429 -10.768 -2.921 1.00 0.00 H new ATOM 0 HB3 ARG A 60 64.062 -11.330 -3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 60 64.992 -9.114 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 60 63.389 -8.413 -2.589 1.00 0.00 H new ATOM 0 HD2 ARG A 60 64.366 -8.966 -0.322 1.00 0.00 H new ATOM 0 HD3 ARG A 60 62.838 -9.770 -0.620 1.00 0.00 H new ATOM 0 HE ARG A 60 65.057 -11.477 -1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 60 65.357 -10.167 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 60 64.844 -11.559 2.391 1.00 0.00 H new ATOM 0 HH21 ARG A 60 63.514 -13.273 -0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 60 63.811 -13.301 1.393 1.00 0.00 H new ATOM 1043 N GLN A 61 62.231 -11.773 -5.971 1.00 0.00 N ATOM 1044 CA GLN A 61 62.197 -12.948 -6.884 1.00 0.00 C ATOM 1045 C GLN A 61 61.288 -12.630 -8.074 1.00 0.00 C ATOM 1046 O GLN A 61 60.247 -13.234 -8.257 1.00 0.00 O ATOM 1047 CB GLN A 61 61.663 -14.169 -6.128 1.00 0.00 C ATOM 1048 CG GLN A 61 61.759 -15.406 -7.024 1.00 0.00 C ATOM 1049 CD GLN A 61 62.027 -16.642 -6.163 1.00 0.00 C ATOM 1050 OE1 GLN A 61 61.219 -17.548 -6.111 1.00 0.00 O ATOM 1051 NE2 GLN A 61 63.135 -16.718 -5.479 1.00 0.00 N ATOM 0 H GLN A 61 61.321 -11.481 -5.614 1.00 0.00 H new ATOM 0 HA GLN A 61 63.202 -13.167 -7.244 1.00 0.00 H new ATOM 0 HB2 GLN A 61 62.236 -14.323 -5.214 1.00 0.00 H new ATOM 0 HB3 GLN A 61 60.628 -14.002 -5.830 1.00 0.00 H new ATOM 0 HG2 GLN A 61 60.833 -15.534 -7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 61 62.558 -15.278 -7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 61 63.814 -15.958 -5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 61 63.322 -17.537 -4.901 1.00 0.00 H new ATOM 1060 N LYS A 62 61.680 -11.681 -8.883 1.00 0.00 N ATOM 1061 CA LYS A 62 60.853 -11.307 -10.065 1.00 0.00 C ATOM 1062 C LYS A 62 61.048 -12.342 -11.181 1.00 0.00 C ATOM 1063 O LYS A 62 60.214 -12.478 -12.057 1.00 0.00 O ATOM 1064 CB LYS A 62 61.292 -9.930 -10.569 1.00 0.00 C ATOM 1065 CG LYS A 62 62.799 -9.942 -10.842 1.00 0.00 C ATOM 1066 CD LYS A 62 63.109 -9.077 -12.066 1.00 0.00 C ATOM 1067 CE LYS A 62 64.513 -8.487 -11.927 1.00 0.00 C ATOM 1068 NZ LYS A 62 65.041 -8.131 -13.274 1.00 0.00 N ATOM 0 H LYS A 62 62.542 -11.147 -8.774 1.00 0.00 H new ATOM 0 HA LYS A 62 59.802 -11.279 -9.779 1.00 0.00 H new ATOM 0 HB2 LYS A 62 60.749 -9.674 -11.479 1.00 0.00 H new ATOM 0 HB3 LYS A 62 61.052 -9.167 -9.829 1.00 0.00 H new ATOM 0 HG2 LYS A 62 63.339 -9.566 -9.973 1.00 0.00 H new ATOM 0 HG3 LYS A 62 63.139 -10.964 -11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 62 63.042 -9.675 -12.975 1.00 0.00 H new ATOM 0 HD3 LYS A 62 62.374 -8.278 -12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 62 64.485 -7.602 -11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 62 65.175 -9.206 -11.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 65.996 -7.730 -13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 65.082 -8.984 -13.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 64.414 -7.430 -13.718 1.00 0.00 H new ATOM 1082 N GLY A 63 62.136 -13.076 -11.154 1.00 0.00 N ATOM 1083 CA GLY A 63 62.373 -14.102 -12.210 1.00 0.00 C ATOM 1084 C GLY A 63 63.865 -14.171 -12.540 1.00 0.00 C ATOM 1085 O GLY A 63 64.328 -13.562 -13.487 1.00 0.00 O ATOM 0 H GLY A 63 62.867 -13.006 -10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 63 62.021 -15.076 -11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 63 61.804 -13.853 -13.106 1.00 0.00 H new ATOM 1089 N LYS A 64 64.618 -14.914 -11.768 1.00 0.00 N ATOM 1090 CA LYS A 64 66.082 -15.033 -12.032 1.00 0.00 C ATOM 1091 C LYS A 64 66.319 -16.061 -13.137 1.00 0.00 C ATOM 1092 O LYS A 64 67.218 -15.918 -13.945 1.00 0.00 O ATOM 1093 CB LYS A 64 66.800 -15.477 -10.754 1.00 0.00 C ATOM 1094 CG LYS A 64 68.269 -15.052 -10.819 1.00 0.00 C ATOM 1095 CD LYS A 64 68.850 -14.988 -9.404 1.00 0.00 C ATOM 1096 CE LYS A 64 69.482 -16.335 -9.049 1.00 0.00 C ATOM 1097 NZ LYS A 64 69.520 -16.491 -7.568 1.00 0.00 N ATOM 0 H LYS A 64 64.280 -15.444 -10.965 1.00 0.00 H new ATOM 0 HA LYS A 64 66.473 -14.066 -12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 64 66.320 -15.033 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 64 66.728 -16.559 -10.641 1.00 0.00 H new ATOM 0 HG2 LYS A 64 68.836 -15.760 -11.424 1.00 0.00 H new ATOM 0 HG3 LYS A 64 68.355 -14.079 -11.302 1.00 0.00 H new ATOM 0 HD2 LYS A 64 69.597 -14.197 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 64 68.065 -14.743 -8.688 1.00 0.00 H new ATOM 0 HE2 LYS A 64 68.909 -17.147 -9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 64 70.491 -16.394 -9.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 69.950 -17.407 -7.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 70.085 -15.723 -7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 68.552 -16.452 -7.190 1.00 0.00 H new ATOM 1111 N ARG A 65 65.517 -17.093 -13.181 1.00 0.00 N ATOM 1112 CA ARG A 65 65.688 -18.133 -14.237 1.00 0.00 C ATOM 1113 C ARG A 65 64.314 -18.655 -14.670 1.00 0.00 C ATOM 1114 O ARG A 65 63.665 -19.388 -13.947 1.00 0.00 O ATOM 1115 CB ARG A 65 66.529 -19.293 -13.688 1.00 0.00 C ATOM 1116 CG ARG A 65 67.489 -19.805 -14.776 1.00 0.00 C ATOM 1117 CD ARG A 65 67.107 -21.233 -15.183 1.00 0.00 C ATOM 1118 NE ARG A 65 68.037 -22.199 -14.534 1.00 0.00 N ATOM 1119 CZ ARG A 65 67.674 -23.442 -14.369 1.00 0.00 C ATOM 1120 NH1 ARG A 65 67.672 -24.261 -15.385 1.00 0.00 N ATOM 1121 NH2 ARG A 65 67.316 -23.865 -13.189 1.00 0.00 N ATOM 0 H ARG A 65 64.750 -17.260 -12.530 1.00 0.00 H new ATOM 0 HA ARG A 65 66.196 -17.695 -15.096 1.00 0.00 H new ATOM 0 HB2 ARG A 65 67.095 -18.963 -12.817 1.00 0.00 H new ATOM 0 HB3 ARG A 65 65.877 -20.101 -13.356 1.00 0.00 H new ATOM 0 HG2 ARG A 65 67.451 -19.148 -15.645 1.00 0.00 H new ATOM 0 HG3 ARG A 65 68.514 -19.785 -14.406 1.00 0.00 H new ATOM 0 HD2 ARG A 65 66.080 -21.445 -14.886 1.00 0.00 H new ATOM 0 HD3 ARG A 65 67.154 -21.339 -16.267 1.00 0.00 H new ATOM 0 HE ARG A 65 68.956 -21.889 -14.219 1.00 0.00 H new ATOM 0 HH11 ARG A 65 67.954 -23.930 -16.308 1.00 0.00 H new ATOM 0 HH12 ARG A 65 67.388 -25.232 -15.257 1.00 0.00 H new ATOM 0 HH21 ARG A 65 67.320 -23.225 -12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 65 67.032 -24.836 -13.060 1.00 0.00 H new ATOM 1135 N SER A 66 63.872 -18.285 -15.845 1.00 0.00 N ATOM 1136 CA SER A 66 62.544 -18.757 -16.335 1.00 0.00 C ATOM 1137 C SER A 66 62.611 -18.978 -17.848 1.00 0.00 C ATOM 1138 O SER A 66 63.001 -18.100 -18.594 1.00 0.00 O ATOM 1139 CB SER A 66 61.478 -17.707 -16.018 1.00 0.00 C ATOM 1140 OG SER A 66 60.835 -18.045 -14.796 1.00 0.00 O ATOM 0 H SER A 66 64.376 -17.674 -16.487 1.00 0.00 H new ATOM 0 HA SER A 66 62.286 -19.694 -15.841 1.00 0.00 H new ATOM 0 HB2 SER A 66 61.935 -16.720 -15.941 1.00 0.00 H new ATOM 0 HB3 SER A 66 60.747 -17.658 -16.825 1.00 0.00 H new ATOM 0 HG SER A 66 60.152 -17.373 -14.589 1.00 0.00 H new ATOM 1146 N SER A 67 62.235 -20.146 -18.302 1.00 0.00 N ATOM 1147 CA SER A 67 62.277 -20.435 -19.765 1.00 0.00 C ATOM 1148 C SER A 67 61.022 -19.868 -20.435 1.00 0.00 C ATOM 1149 O SER A 67 60.141 -19.424 -19.717 1.00 0.00 O ATOM 1150 CB SER A 67 62.333 -21.947 -19.982 1.00 0.00 C ATOM 1151 OG SER A 67 62.289 -22.224 -21.375 1.00 0.00 O ATOM 1152 OXT SER A 67 60.965 -19.887 -21.653 1.00 0.00 O ATOM 0 H SER A 67 61.900 -20.914 -17.720 1.00 0.00 H new ATOM 0 HA SER A 67 63.161 -19.971 -20.202 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.246 -22.355 -19.547 1.00 0.00 H new ATOM 0 HB3 SER A 67 61.496 -22.430 -19.477 1.00 0.00 H new ATOM 0 HG SER A 67 61.809 -21.505 -21.836 1.00 0.00 H new TER 1158 SER A 67