USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 118 hydrogens (4 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 Single : A 1 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.067) USER MOD Single : A 2 SER OG : rot 180:sc= 0.181 USER MOD Single : A 8 ASN : amide:sc= 0.972 K(o=0.97,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -140:sc= -0.352 (180deg=-1.34) USER MOD Single : A 16 ASN : amide:sc= -0.455 K(o=-0.45,f=-4.1!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 56:sc= 0.231 USER MOD Single : B 1 LYS NZ :NH3+ 166:sc=-0.00963 (180deg=-0.196) USER MOD Single : B 2 SER OG : rot 41:sc= 0.761 USER MOD Single : B 8 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0.288 (180deg=0.288) USER MOD Single : B 16 ASN : amide:sc= -0.624 K(o=-0.62,f=-9.1!) USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 33 THR OG1 : rot 50:sc= 0.434 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 1.374 16.222 6.824 1.00 0.00 C HETATM 2 O ACE A 0 1.024 15.786 5.762 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.718 15.916 7.485 1.00 0.00 C HETATM 0 H1 ACE A 0 3.270 16.844 7.633 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.549 15.436 8.449 1.00 0.00 H new HETATM 0 H3 ACE A 0 3.295 15.249 6.844 1.00 0.00 H new ATOM 4 N LYS A 1 0.526 16.965 7.487 1.00 0.00 N ATOM 5 CA LYS A 1 -0.818 16.871 8.101 1.00 0.00 C ATOM 6 C LYS A 1 -1.941 16.684 7.058 1.00 0.00 C ATOM 7 O LYS A 1 -1.720 16.737 5.841 1.00 0.00 O ATOM 8 CB LYS A 1 -1.001 18.134 8.968 1.00 0.00 C ATOM 9 CG LYS A 1 -2.266 18.187 9.836 1.00 0.00 C ATOM 10 CD LYS A 1 -2.377 17.034 10.846 1.00 0.00 C ATOM 11 CE LYS A 1 -1.639 17.308 12.158 1.00 0.00 C ATOM 12 NZ LYS A 1 -2.415 18.259 12.969 1.00 0.00 N ATOM 0 H LYS A 1 0.844 17.918 7.662 1.00 0.00 H new ATOM 0 HA LYS A 1 -0.891 15.978 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.134 18.229 9.621 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -1.001 19.003 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -2.285 19.133 10.376 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -3.141 18.174 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.429 16.848 11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.978 16.125 10.395 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -1.495 16.378 12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -0.648 17.713 11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.027 18.291 13.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.359 19.206 12.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.409 17.954 13.006 1.00 0.00 H new ATOM 17 N SER A 2 -3.080 16.212 7.573 1.00 0.00 N ATOM 18 CA SER A 2 -4.362 16.052 6.854 1.00 0.00 C ATOM 19 C SER A 2 -4.229 15.149 5.607 1.00 0.00 C ATOM 20 O SER A 2 -3.361 14.280 5.577 1.00 0.00 O ATOM 21 CB SER A 2 -4.933 17.447 6.538 1.00 0.00 C ATOM 22 OG SER A 2 -6.334 17.354 6.248 1.00 0.00 O ATOM 0 H SER A 2 -3.144 15.915 8.547 1.00 0.00 H new ATOM 0 HA SER A 2 -5.072 15.528 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.773 18.114 7.385 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.406 17.880 5.688 1.00 0.00 H new ATOM 0 HG SER A 2 -6.687 18.247 6.050 1.00 0.00 H new ATOM 25 N GLU A 3 -5.040 15.391 4.574 1.00 0.00 N ATOM 26 CA GLU A 3 -5.026 14.627 3.305 1.00 0.00 C ATOM 27 C GLU A 3 -3.646 14.551 2.613 1.00 0.00 C ATOM 28 O GLU A 3 -3.340 13.561 1.954 1.00 0.00 O ATOM 29 CB GLU A 3 -6.069 15.178 2.332 1.00 0.00 C ATOM 30 CG GLU A 3 -7.524 15.064 2.816 1.00 0.00 C ATOM 31 CD GLU A 3 -8.162 13.660 2.816 1.00 0.00 C ATOM 32 OE1 GLU A 3 -7.487 12.670 2.438 1.00 0.00 O ATOM 33 OE2 GLU A 3 -9.349 13.617 3.176 1.00 0.00 O ATOM 0 H GLU A 3 -5.739 16.133 4.587 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.275 13.604 3.586 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.846 16.227 2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.974 14.651 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.573 15.457 3.832 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -8.139 15.714 2.193 1.00 0.00 H new ATOM 35 N GLU A 4 -2.784 15.533 2.867 1.00 0.00 N ATOM 36 CA GLU A 4 -1.423 15.588 2.292 1.00 0.00 C ATOM 37 C GLU A 4 -0.520 14.434 2.758 1.00 0.00 C ATOM 38 O GLU A 4 0.311 13.942 1.986 1.00 0.00 O ATOM 39 CB GLU A 4 -0.690 16.904 2.558 1.00 0.00 C ATOM 40 CG GLU A 4 -1.309 18.122 1.860 1.00 0.00 C ATOM 41 CD GLU A 4 -2.654 18.563 2.439 1.00 0.00 C ATOM 42 OE1 GLU A 4 -2.812 18.495 3.686 1.00 0.00 O ATOM 43 OE2 GLU A 4 -3.536 18.913 1.631 1.00 0.00 O ATOM 0 H GLU A 4 -3.001 16.320 3.478 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.604 15.498 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -0.672 17.086 3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 4 0.346 16.802 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.609 18.956 1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.440 17.893 0.802 1.00 0.00 H new ATOM 45 N GLU A 5 -0.725 13.979 3.994 1.00 0.00 N ATOM 46 CA GLU A 5 0.013 12.859 4.583 1.00 0.00 C ATOM 47 C GLU A 5 -0.054 11.590 3.706 1.00 0.00 C ATOM 48 O GLU A 5 0.975 11.000 3.408 1.00 0.00 O ATOM 49 CB GLU A 5 -0.518 12.606 5.995 1.00 0.00 C ATOM 50 CG GLU A 5 0.482 11.827 6.863 1.00 0.00 C ATOM 51 CD GLU A 5 0.042 11.869 8.333 1.00 0.00 C ATOM 52 OE1 GLU A 5 0.392 12.863 8.994 1.00 0.00 O ATOM 53 OE2 GLU A 5 -0.667 10.917 8.735 1.00 0.00 O ATOM 0 H GLU A 5 -1.418 14.383 4.624 1.00 0.00 H new ATOM 0 HA GLU A 5 1.069 13.122 4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.744 13.560 6.472 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.454 12.050 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.544 10.793 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 5 1.478 12.257 6.760 1.00 0.00 H new ATOM 55 N LEU A 6 -1.227 11.391 3.108 1.00 0.00 N ATOM 56 CA LEU A 6 -1.513 10.324 2.140 1.00 0.00 C ATOM 57 C LEU A 6 -0.623 10.362 0.881 1.00 0.00 C ATOM 58 O LEU A 6 0.010 9.367 0.544 1.00 0.00 O ATOM 59 CB LEU A 6 -2.975 10.449 1.724 1.00 0.00 C ATOM 60 CG LEU A 6 -3.560 9.098 1.310 1.00 0.00 C ATOM 61 CD1 LEU A 6 -3.883 8.305 2.569 1.00 0.00 C ATOM 62 CD2 LEU A 6 -4.845 9.325 0.503 1.00 0.00 C ATOM 0 H LEU A 6 -2.035 11.987 3.288 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.300 9.374 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.555 10.859 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.059 11.152 0.895 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.844 8.550 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.302 7.337 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.972 8.154 3.148 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.607 8.855 3.170 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.263 8.363 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.569 9.863 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.617 9.911 -0.387 1.00 0.00 H new ATOM 64 N ALA A 7 -0.543 11.533 0.255 1.00 0.00 N ATOM 65 CA ALA A 7 0.296 11.796 -0.919 1.00 0.00 C ATOM 66 C ALA A 7 1.774 11.411 -0.672 1.00 0.00 C ATOM 67 O ALA A 7 2.327 10.570 -1.372 1.00 0.00 O ATOM 68 CB ALA A 7 0.214 13.278 -1.317 1.00 0.00 C ATOM 0 H ALA A 7 -1.074 12.351 0.556 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.086 11.176 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.842 13.456 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.818 13.534 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.560 13.897 -0.489 1.00 0.00 H new ATOM 70 N ASN A 8 2.284 11.867 0.474 1.00 0.00 N ATOM 71 CA ASN A 8 3.611 11.539 0.967 1.00 0.00 C ATOM 72 C ASN A 8 3.805 10.068 1.324 1.00 0.00 C ATOM 73 O ASN A 8 4.712 9.433 0.797 1.00 0.00 O ATOM 74 CB ASN A 8 3.890 12.438 2.176 1.00 0.00 C ATOM 75 CG ASN A 8 4.077 13.909 1.790 1.00 0.00 C ATOM 76 OD1 ASN A 8 5.151 14.375 1.427 1.00 0.00 O ATOM 77 ND2 ASN A 8 3.024 14.689 1.841 1.00 0.00 N ATOM 0 H ASN A 8 1.768 12.490 1.096 1.00 0.00 H new ATOM 0 HA ASN A 8 4.323 11.718 0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.065 12.355 2.883 1.00 0.00 H new ATOM 0 HB3 ASN A 8 4.785 12.084 2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.104 15.672 1.580 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.125 14.313 2.141 1.00 0.00 H new ATOM 81 N ALA A 9 2.864 9.491 2.073 1.00 0.00 N ATOM 82 CA ALA A 9 2.836 8.044 2.374 1.00 0.00 C ATOM 83 C ALA A 9 2.912 7.127 1.154 1.00 0.00 C ATOM 84 O ALA A 9 3.904 6.419 1.007 1.00 0.00 O ATOM 85 CB ALA A 9 1.614 7.727 3.254 1.00 0.00 C ATOM 0 H ALA A 9 2.093 10.010 2.493 1.00 0.00 H new ATOM 0 HA ALA A 9 3.754 7.825 2.919 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.593 6.660 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.680 8.290 4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.703 8.006 2.725 1.00 0.00 H new ATOM 87 N PHE A 10 2.102 7.482 0.164 1.00 0.00 N ATOM 88 CA PHE A 10 2.074 6.801 -1.142 1.00 0.00 C ATOM 89 C PHE A 10 3.472 6.780 -1.775 1.00 0.00 C ATOM 90 O PHE A 10 4.104 5.741 -1.747 1.00 0.00 O ATOM 91 CB PHE A 10 1.123 7.507 -2.112 1.00 0.00 C ATOM 92 CG PHE A 10 0.715 6.636 -3.320 1.00 0.00 C ATOM 93 CD1 PHE A 10 0.114 5.368 -3.121 1.00 0.00 C ATOM 94 CD2 PHE A 10 0.961 7.108 -4.633 1.00 0.00 C ATOM 95 CE1 PHE A 10 -0.234 4.564 -4.216 1.00 0.00 C ATOM 96 CE2 PHE A 10 0.594 6.308 -5.739 1.00 0.00 C ATOM 97 CZ PHE A 10 0.004 5.041 -5.524 1.00 0.00 C ATOM 0 H PHE A 10 1.439 8.254 0.237 1.00 0.00 H new ATOM 0 HA PHE A 10 1.728 5.783 -0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.225 7.809 -1.573 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.598 8.418 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.078 5.018 -2.117 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.425 8.071 -4.788 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.679 3.592 -4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.764 6.663 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.268 4.430 -6.372 1.00 0.00 H new ATOM 99 N ARG A 11 4.037 7.981 -1.765 1.00 0.00 N ATOM 100 CA ARG A 11 5.358 8.269 -2.324 1.00 0.00 C ATOM 101 C ARG A 11 6.571 7.648 -1.619 1.00 0.00 C ATOM 102 O ARG A 11 7.427 7.079 -2.284 1.00 0.00 O ATOM 103 CB ARG A 11 5.588 9.777 -2.534 1.00 0.00 C ATOM 104 CG ARG A 11 4.834 10.257 -3.774 1.00 0.00 C ATOM 105 CD ARG A 11 5.413 9.642 -5.046 1.00 0.00 C ATOM 106 NE ARG A 11 4.319 9.405 -5.999 1.00 0.00 N ATOM 107 CZ ARG A 11 4.071 8.270 -6.663 1.00 0.00 C ATOM 108 NH1 ARG A 11 4.993 7.336 -6.836 1.00 0.00 N ATOM 109 NH2 ARG A 11 2.962 8.178 -7.381 1.00 0.00 N ATOM 0 H ARG A 11 3.583 8.800 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 11 5.308 7.755 -3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.250 10.330 -1.657 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.653 9.978 -2.647 1.00 0.00 H new ATOM 0 HG2 ARG A 11 3.780 9.993 -3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 11 4.886 11.344 -3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.156 10.309 -5.483 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.921 8.706 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 11 3.685 10.185 -6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.931 7.469 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.766 6.484 -7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.314 8.964 -7.421 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.756 7.321 -7.894 1.00 0.00 H new ATOM 116 N ILE A 12 6.454 7.573 -0.303 1.00 0.00 N ATOM 117 CA ILE A 12 7.459 6.924 0.556 1.00 0.00 C ATOM 118 C ILE A 12 7.601 5.436 0.175 1.00 0.00 C ATOM 119 O ILE A 12 8.650 4.934 -0.212 1.00 0.00 O ATOM 120 CB ILE A 12 7.226 7.075 2.061 1.00 0.00 C ATOM 121 CG1 ILE A 12 7.184 8.545 2.509 1.00 0.00 C ATOM 122 CG2 ILE A 12 8.301 6.352 2.912 1.00 0.00 C ATOM 123 CD1 ILE A 12 6.435 8.771 3.829 1.00 0.00 C ATOM 0 H ILE A 12 5.661 7.958 0.211 1.00 0.00 H new ATOM 0 HA ILE A 12 8.390 7.457 0.364 1.00 0.00 H new ATOM 0 HB ILE A 12 6.255 6.611 2.231 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.205 8.912 2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.711 9.140 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.083 6.494 3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.293 5.287 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.284 6.766 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.449 9.832 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.403 8.436 3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 12 6.920 8.205 4.624 1.00 0.00 H new ATOM 125 N PHE A 13 6.424 4.837 0.154 1.00 0.00 N ATOM 126 CA PHE A 13 6.201 3.405 -0.103 1.00 0.00 C ATOM 127 C PHE A 13 6.309 2.979 -1.572 1.00 0.00 C ATOM 128 O PHE A 13 6.783 1.887 -1.881 1.00 0.00 O ATOM 129 CB PHE A 13 4.822 3.126 0.483 1.00 0.00 C ATOM 130 CG PHE A 13 4.832 3.105 2.025 1.00 0.00 C ATOM 131 CD1 PHE A 13 5.833 2.385 2.720 1.00 0.00 C ATOM 132 CD2 PHE A 13 4.033 4.047 2.707 1.00 0.00 C ATOM 133 CE1 PHE A 13 6.074 2.642 4.081 1.00 0.00 C ATOM 134 CE2 PHE A 13 4.270 4.318 4.070 1.00 0.00 C ATOM 135 CZ PHE A 13 5.301 3.625 4.744 1.00 0.00 C ATOM 0 H PHE A 13 5.556 5.345 0.321 1.00 0.00 H new ATOM 0 HA PHE A 13 6.991 2.813 0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.122 3.887 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.459 2.168 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.414 1.635 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.239 4.561 2.185 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.839 2.097 4.614 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.670 5.048 4.594 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.502 3.849 5.781 1.00 0.00 H new ATOM 137 N ASP A 14 5.854 3.852 -2.463 1.00 0.00 N ATOM 138 CA ASP A 14 5.876 3.714 -3.936 1.00 0.00 C ATOM 139 C ASP A 14 7.268 4.016 -4.543 1.00 0.00 C ATOM 140 O ASP A 14 7.422 4.622 -5.606 1.00 0.00 O ATOM 141 CB ASP A 14 4.821 4.660 -4.508 1.00 0.00 C ATOM 142 CG ASP A 14 4.250 4.193 -5.840 1.00 0.00 C ATOM 143 OD1 ASP A 14 5.036 3.831 -6.757 1.00 0.00 O ATOM 144 OD2 ASP A 14 3.015 4.284 -5.938 1.00 0.00 O ATOM 0 H ASP A 14 5.432 4.733 -2.171 1.00 0.00 H new ATOM 0 HA ASP A 14 5.655 2.679 -4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.008 4.764 -3.789 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.261 5.649 -4.636 1.00 0.00 H new ATOM 146 N LYS A 15 8.207 3.295 -3.963 1.00 0.00 N ATOM 147 CA LYS A 15 9.669 3.390 -4.174 1.00 0.00 C ATOM 148 C LYS A 15 10.098 3.406 -5.651 1.00 0.00 C ATOM 149 O LYS A 15 10.799 4.326 -6.058 1.00 0.00 O ATOM 150 CB LYS A 15 10.380 2.279 -3.410 1.00 0.00 C ATOM 151 CG LYS A 15 10.178 2.470 -1.914 1.00 0.00 C ATOM 152 CD LYS A 15 10.817 1.335 -1.136 1.00 0.00 C ATOM 153 CE LYS A 15 10.517 1.453 0.356 1.00 0.00 C ATOM 154 NZ LYS A 15 9.085 1.208 0.626 1.00 0.00 N ATOM 0 H LYS A 15 7.970 2.573 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 15 9.970 4.361 -3.781 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.992 1.308 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.444 2.286 -3.646 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.611 3.420 -1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.112 2.517 -1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.447 0.380 -1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.895 1.343 -1.295 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.124 0.737 0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.793 2.446 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.749 1.875 1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.539 1.343 -0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.958 0.234 0.967 1.00 0.00 H new ATOM 159 N ASN A 16 9.673 2.416 -6.431 1.00 0.00 N ATOM 160 CA ASN A 16 10.087 2.312 -7.844 1.00 0.00 C ATOM 161 C ASN A 16 9.294 3.182 -8.844 1.00 0.00 C ATOM 162 O ASN A 16 9.348 2.968 -10.057 1.00 0.00 O ATOM 163 CB ASN A 16 10.103 0.822 -8.212 1.00 0.00 C ATOM 164 CG ASN A 16 8.754 0.140 -8.463 1.00 0.00 C ATOM 165 OD1 ASN A 16 7.683 0.666 -8.171 1.00 0.00 O ATOM 166 ND2 ASN A 16 8.785 -1.004 -9.098 1.00 0.00 N ATOM 0 H ASN A 16 9.046 1.674 -6.120 1.00 0.00 H new ATOM 0 HA ASN A 16 11.085 2.741 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.712 0.704 -9.109 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.608 0.283 -7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.914 -1.468 -9.356 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.680 -1.431 -9.335 1.00 0.00 H new ATOM 170 N ALA A 17 8.508 4.121 -8.304 1.00 0.00 N ATOM 171 CA ALA A 17 7.799 5.197 -9.032 1.00 0.00 C ATOM 172 C ALA A 17 6.892 4.744 -10.198 1.00 0.00 C ATOM 173 O ALA A 17 6.458 5.538 -11.027 1.00 0.00 O ATOM 174 CB ALA A 17 8.802 6.281 -9.471 1.00 0.00 C ATOM 0 H ALA A 17 8.336 4.159 -7.299 1.00 0.00 H new ATOM 0 HA ALA A 17 7.089 5.611 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.274 7.070 -10.006 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.290 6.703 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.553 5.838 -10.126 1.00 0.00 H new ATOM 176 N ASP A 18 6.333 3.554 -9.984 1.00 0.00 N ATOM 177 CA ASP A 18 5.367 2.926 -10.920 1.00 0.00 C ATOM 178 C ASP A 18 3.919 3.436 -10.722 1.00 0.00 C ATOM 179 O ASP A 18 2.992 2.916 -11.328 1.00 0.00 O ATOM 180 CB ASP A 18 5.450 1.392 -10.799 1.00 0.00 C ATOM 181 CG ASP A 18 5.076 0.797 -9.430 1.00 0.00 C ATOM 182 OD1 ASP A 18 5.034 1.570 -8.457 1.00 0.00 O ATOM 183 OD2 ASP A 18 4.812 -0.430 -9.402 1.00 0.00 O ATOM 0 H ASP A 18 6.529 2.987 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 18 5.646 3.220 -11.932 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.797 0.953 -11.553 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.467 1.084 -11.040 1.00 0.00 H new ATOM 185 N GLY A 19 3.775 4.353 -9.770 1.00 0.00 N ATOM 186 CA GLY A 19 2.482 4.892 -9.279 1.00 0.00 C ATOM 187 C GLY A 19 1.605 3.804 -8.624 1.00 0.00 C ATOM 188 O GLY A 19 0.403 3.996 -8.457 1.00 0.00 O ATOM 0 H GLY A 19 4.577 4.765 -9.293 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.673 5.686 -8.557 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.939 5.341 -10.110 1.00 0.00 H new ATOM 190 N TYR A 20 2.243 2.703 -8.246 1.00 0.00 N ATOM 191 CA TYR A 20 1.614 1.554 -7.586 1.00 0.00 C ATOM 192 C TYR A 20 2.449 1.148 -6.369 1.00 0.00 C ATOM 193 O TYR A 20 3.624 1.495 -6.227 1.00 0.00 O ATOM 194 CB TYR A 20 1.608 0.348 -8.508 1.00 0.00 C ATOM 195 CG TYR A 20 1.220 0.557 -9.983 1.00 0.00 C ATOM 196 CD1 TYR A 20 -0.009 1.165 -10.313 1.00 0.00 C ATOM 197 CD2 TYR A 20 1.989 -0.107 -10.960 1.00 0.00 C ATOM 198 CE1 TYR A 20 -0.492 1.090 -11.639 1.00 0.00 C ATOM 199 CE2 TYR A 20 1.519 -0.186 -12.282 1.00 0.00 C ATOM 200 CZ TYR A 20 0.276 0.386 -12.601 1.00 0.00 C ATOM 201 OH TYR A 20 -0.281 0.120 -13.807 1.00 0.00 O ATOM 0 H TYR A 20 3.244 2.576 -8.393 1.00 0.00 H new ATOM 0 HA TYR A 20 0.599 1.843 -7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.605 -0.092 -8.486 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.925 -0.389 -8.086 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.578 1.685 -9.557 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.936 -0.553 -10.694 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.426 1.559 -11.914 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.105 -0.680 -13.043 1.00 0.00 H new ATOM 0 HH TYR A 20 0.362 -0.367 -14.364 1.00 0.00 H new ATOM 204 N ILE A 21 1.841 0.368 -5.498 1.00 0.00 N ATOM 205 CA ILE A 21 2.524 -0.287 -4.372 1.00 0.00 C ATOM 206 C ILE A 21 2.460 -1.819 -4.539 1.00 0.00 C ATOM 207 O ILE A 21 1.419 -2.370 -4.884 1.00 0.00 O ATOM 208 CB ILE A 21 2.056 0.292 -3.040 1.00 0.00 C ATOM 209 CG1 ILE A 21 2.823 1.594 -2.772 1.00 0.00 C ATOM 210 CG2 ILE A 21 2.156 -0.644 -1.821 1.00 0.00 C ATOM 211 CD1 ILE A 21 2.082 2.623 -1.917 1.00 0.00 C ATOM 0 H ILE A 21 0.843 0.161 -5.543 1.00 0.00 H new ATOM 0 HA ILE A 21 3.591 -0.066 -4.371 1.00 0.00 H new ATOM 0 HB ILE A 21 0.986 0.463 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.764 1.348 -2.281 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.073 2.053 -3.729 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.796 -0.125 -0.933 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.548 -1.532 -1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.195 -0.939 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.708 3.506 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.154 2.907 -2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.856 2.191 -0.942 1.00 0.00 H new ATOM 213 N ASP A 22 3.616 -2.451 -4.340 1.00 0.00 N ATOM 214 CA ASP A 22 3.750 -3.919 -4.342 1.00 0.00 C ATOM 215 C ASP A 22 3.850 -4.510 -2.944 1.00 0.00 C ATOM 216 O ASP A 22 4.137 -3.810 -1.972 1.00 0.00 O ATOM 217 CB ASP A 22 4.923 -4.417 -5.176 1.00 0.00 C ATOM 218 CG ASP A 22 6.070 -3.429 -5.490 1.00 0.00 C ATOM 219 OD1 ASP A 22 6.878 -3.245 -4.560 1.00 0.00 O ATOM 220 OD2 ASP A 22 6.129 -2.958 -6.640 1.00 0.00 O ATOM 0 H ASP A 22 4.495 -1.962 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 22 2.826 -4.267 -4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.355 -5.276 -4.663 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.527 -4.779 -6.125 1.00 0.00 H new ATOM 222 N ILE A 23 3.886 -5.833 -2.921 1.00 0.00 N ATOM 223 CA ILE A 23 3.860 -6.651 -1.694 1.00 0.00 C ATOM 224 C ILE A 23 4.839 -6.291 -0.560 1.00 0.00 C ATOM 225 O ILE A 23 4.419 -6.092 0.575 1.00 0.00 O ATOM 226 CB ILE A 23 3.867 -8.148 -2.092 1.00 0.00 C ATOM 227 CG1 ILE A 23 3.388 -9.051 -0.952 1.00 0.00 C ATOM 228 CG2 ILE A 23 5.212 -8.629 -2.656 1.00 0.00 C ATOM 229 CD1 ILE A 23 1.886 -8.869 -0.727 1.00 0.00 C ATOM 0 H ILE A 23 3.935 -6.393 -3.772 1.00 0.00 H new ATOM 0 HA ILE A 23 2.926 -6.398 -1.193 1.00 0.00 H new ATOM 0 HB ILE A 23 3.149 -8.230 -2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.604 -10.093 -1.189 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.931 -8.813 -0.037 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.142 -9.686 -2.913 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.459 -8.054 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.992 -8.488 -1.907 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.559 -9.517 0.086 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.680 -7.830 -0.469 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.347 -9.130 -1.638 1.00 0.00 H new ATOM 231 N GLU A 24 6.103 -6.039 -0.909 1.00 0.00 N ATOM 232 CA GLU A 24 7.150 -5.646 0.056 1.00 0.00 C ATOM 233 C GLU A 24 6.932 -4.261 0.698 1.00 0.00 C ATOM 234 O GLU A 24 6.909 -4.090 1.916 1.00 0.00 O ATOM 235 CB GLU A 24 8.520 -5.772 -0.627 1.00 0.00 C ATOM 236 CG GLU A 24 9.702 -5.528 0.313 1.00 0.00 C ATOM 237 CD GLU A 24 11.005 -6.044 -0.306 1.00 0.00 C ATOM 238 OE1 GLU A 24 11.213 -7.281 -0.259 1.00 0.00 O ATOM 239 OE2 GLU A 24 11.766 -5.192 -0.824 1.00 0.00 O ATOM 0 H GLU A 24 6.437 -6.100 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 24 7.098 -6.330 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.610 -6.769 -1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.571 -5.062 -1.452 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.791 -4.462 0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.524 -6.027 1.266 1.00 0.00 H new ATOM 241 N GLU A 25 6.623 -3.349 -0.209 1.00 0.00 N ATOM 242 CA GLU A 25 6.180 -1.966 0.030 1.00 0.00 C ATOM 243 C GLU A 25 4.919 -1.930 0.920 1.00 0.00 C ATOM 244 O GLU A 25 4.885 -1.228 1.928 1.00 0.00 O ATOM 245 CB GLU A 25 5.904 -1.371 -1.357 1.00 0.00 C ATOM 246 CG GLU A 25 7.194 -1.113 -2.160 1.00 0.00 C ATOM 247 CD GLU A 25 6.938 -0.427 -3.517 1.00 0.00 C ATOM 248 OE1 GLU A 25 5.864 -0.672 -4.107 1.00 0.00 O ATOM 249 OE2 GLU A 25 7.860 0.264 -3.991 1.00 0.00 O ATOM 0 H GLU A 25 6.676 -3.561 -1.205 1.00 0.00 H new ATOM 0 HA GLU A 25 6.937 -1.391 0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.261 -2.050 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.358 -0.435 -1.244 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.865 -0.492 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.704 -2.061 -2.330 1.00 0.00 H new ATOM 251 N LEU A 26 3.963 -2.814 0.617 1.00 0.00 N ATOM 252 CA LEU A 26 2.742 -3.043 1.420 1.00 0.00 C ATOM 253 C LEU A 26 3.053 -3.592 2.818 1.00 0.00 C ATOM 254 O LEU A 26 2.525 -3.073 3.806 1.00 0.00 O ATOM 255 CB LEU A 26 1.798 -3.992 0.664 1.00 0.00 C ATOM 256 CG LEU A 26 0.417 -4.009 1.336 1.00 0.00 C ATOM 257 CD1 LEU A 26 -0.554 -3.157 0.530 1.00 0.00 C ATOM 258 CD2 LEU A 26 -0.101 -5.447 1.449 1.00 0.00 C ATOM 0 H LEU A 26 4.011 -3.407 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 26 2.255 -2.079 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.702 -3.672 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.216 -4.998 0.650 1.00 0.00 H new ATOM 0 HG LEU A 26 0.503 -3.595 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.533 -3.170 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.187 -2.132 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.638 -3.558 -0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.081 -5.444 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.184 -5.883 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.593 -6.038 2.047 1.00 0.00 H new ATOM 260 N GLY A 27 3.919 -4.611 2.880 1.00 0.00 N ATOM 261 CA GLY A 27 4.428 -5.204 4.133 1.00 0.00 C ATOM 262 C GLY A 27 4.978 -4.130 5.090 1.00 0.00 C ATOM 263 O GLY A 27 4.622 -4.090 6.262 1.00 0.00 O ATOM 0 H GLY A 27 4.296 -5.059 2.045 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.627 -5.755 4.626 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.214 -5.923 3.902 1.00 0.00 H new ATOM 265 N GLU A 28 5.771 -3.216 4.524 1.00 0.00 N ATOM 266 CA GLU A 28 6.268 -2.012 5.221 1.00 0.00 C ATOM 267 C GLU A 28 5.153 -1.156 5.843 1.00 0.00 C ATOM 268 O GLU A 28 5.158 -0.975 7.053 1.00 0.00 O ATOM 269 CB GLU A 28 7.158 -1.182 4.290 1.00 0.00 C ATOM 270 CG GLU A 28 8.498 -1.888 4.041 1.00 0.00 C ATOM 271 CD GLU A 28 9.303 -1.157 2.966 1.00 0.00 C ATOM 272 OE1 GLU A 28 9.955 -0.151 3.325 1.00 0.00 O ATOM 273 OE2 GLU A 28 9.230 -1.620 1.802 1.00 0.00 O ATOM 0 H GLU A 28 6.093 -3.286 3.559 1.00 0.00 H new ATOM 0 HA GLU A 28 6.867 -2.365 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.647 -1.019 3.341 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.336 -0.200 4.730 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.071 -1.928 4.967 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.320 -2.918 3.732 1.00 0.00 H new ATOM 275 N ILE A 29 4.116 -0.814 5.068 1.00 0.00 N ATOM 276 CA ILE A 29 2.930 -0.066 5.574 1.00 0.00 C ATOM 277 C ILE A 29 2.244 -0.881 6.705 1.00 0.00 C ATOM 278 O ILE A 29 1.922 -0.333 7.757 1.00 0.00 O ATOM 279 CB ILE A 29 1.902 0.300 4.526 1.00 0.00 C ATOM 280 CG1 ILE A 29 2.504 0.695 3.156 1.00 0.00 C ATOM 281 CG2 ILE A 29 1.043 1.468 5.033 1.00 0.00 C ATOM 282 CD1 ILE A 29 1.518 0.629 1.990 1.00 0.00 C ATOM 0 H ILE A 29 4.063 -1.041 4.075 1.00 0.00 H new ATOM 0 HA ILE A 29 3.323 0.882 5.942 1.00 0.00 H new ATOM 0 HB ILE A 29 1.309 -0.601 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.899 1.709 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.347 0.039 2.941 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.303 1.730 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.535 1.174 5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.681 2.330 5.231 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.023 0.921 1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.141 -0.389 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.686 1.307 2.178 1.00 0.00 H new ATOM 284 N LEU A 30 2.019 -2.161 6.431 1.00 0.00 N ATOM 285 CA LEU A 30 1.375 -3.110 7.358 1.00 0.00 C ATOM 286 C LEU A 30 2.085 -3.315 8.711 1.00 0.00 C ATOM 287 O LEU A 30 1.504 -3.832 9.673 1.00 0.00 O ATOM 288 CB LEU A 30 1.184 -4.450 6.640 1.00 0.00 C ATOM 289 CG LEU A 30 -0.212 -4.998 6.911 1.00 0.00 C ATOM 290 CD1 LEU A 30 -1.034 -5.032 5.620 1.00 0.00 C ATOM 291 CD2 LEU A 30 -0.115 -6.398 7.524 1.00 0.00 C ATOM 0 H LEU A 30 2.281 -2.586 5.542 1.00 0.00 H new ATOM 0 HA LEU A 30 0.420 -2.660 7.629 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.330 -4.320 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.935 -5.163 6.980 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.716 -4.340 7.619 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.028 -5.426 5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.122 -4.023 5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.538 -5.672 4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.117 -6.782 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.403 -7.063 6.833 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.438 -6.347 8.462 1.00 0.00 H new ATOM 293 N ARG A 31 3.369 -2.995 8.720 1.00 0.00 N ATOM 294 CA ARG A 31 4.231 -2.941 9.910 1.00 0.00 C ATOM 295 C ARG A 31 3.969 -1.720 10.796 1.00 0.00 C ATOM 296 O ARG A 31 3.547 -0.665 10.322 1.00 0.00 O ATOM 297 CB ARG A 31 5.714 -2.913 9.507 1.00 0.00 C ATOM 298 CG ARG A 31 6.328 -4.304 9.273 1.00 0.00 C ATOM 299 CD ARG A 31 6.353 -5.173 10.541 1.00 0.00 C ATOM 300 NE ARG A 31 7.095 -4.520 11.641 1.00 0.00 N ATOM 301 CZ ARG A 31 6.590 -4.121 12.813 1.00 0.00 C ATOM 302 NH1 ARG A 31 5.358 -4.443 13.192 1.00 0.00 N ATOM 303 NH2 ARG A 31 7.363 -3.505 13.688 1.00 0.00 N ATOM 0 H ARG A 31 3.870 -2.754 7.865 1.00 0.00 H new ATOM 0 HA ARG A 31 3.992 -3.840 10.479 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.821 -2.323 8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.281 -2.404 10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.761 -4.819 8.498 1.00 0.00 H new ATOM 0 HG3 ARG A 31 7.345 -4.187 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.331 -5.376 10.862 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.813 -6.135 10.313 1.00 0.00 H new ATOM 0 HE ARG A 31 8.091 -4.358 11.491 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.769 -5.010 12.582 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.001 -4.123 14.093 1.00 0.00 H new ATOM 0 HH21 ARG A 31 8.345 -3.334 13.470 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.979 -3.200 14.582 1.00 0.00 H new ATOM 310 N ALA A 32 4.383 -1.849 12.057 1.00 0.00 N ATOM 311 CA ALA A 32 4.442 -0.721 13.007 1.00 0.00 C ATOM 312 C ALA A 32 5.402 0.387 12.523 1.00 0.00 C ATOM 313 O ALA A 32 5.146 1.579 12.668 1.00 0.00 O ATOM 314 CB ALA A 32 4.861 -1.192 14.400 1.00 0.00 C ATOM 0 H ALA A 32 4.689 -2.737 12.456 1.00 0.00 H new ATOM 0 HA ALA A 32 3.436 -0.304 13.061 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.895 -0.339 15.077 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.139 -1.920 14.770 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.847 -1.653 14.347 1.00 0.00 H new ATOM 316 N THR A 33 6.463 -0.060 11.859 1.00 0.00 N ATOM 317 CA THR A 33 7.479 0.799 11.216 1.00 0.00 C ATOM 318 C THR A 33 7.156 0.979 9.722 1.00 0.00 C ATOM 319 O THR A 33 7.828 0.426 8.843 1.00 0.00 O ATOM 320 CB THR A 33 8.875 0.174 11.409 1.00 0.00 C ATOM 321 OG1 THR A 33 8.825 -1.187 10.947 1.00 0.00 O ATOM 322 CG2 THR A 33 9.355 0.266 12.857 1.00 0.00 C ATOM 0 H THR A 33 6.655 -1.055 11.744 1.00 0.00 H new ATOM 0 HA THR A 33 7.470 1.785 11.681 1.00 0.00 H new ATOM 0 HB THR A 33 9.605 0.734 10.825 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.508 -1.206 10.020 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.342 -0.187 12.942 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.409 1.313 13.157 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.656 -0.261 13.506 1.00 0.00 H new ATOM 325 N GLY A 34 6.057 1.683 9.505 1.00 0.00 N ATOM 326 CA GLY A 34 5.501 1.977 8.165 1.00 0.00 C ATOM 327 C GLY A 34 4.214 2.788 8.276 1.00 0.00 C ATOM 328 O GLY A 34 4.198 4.000 8.100 1.00 0.00 O ATOM 0 H GLY A 34 5.503 2.082 10.263 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.234 2.529 7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.304 1.045 7.636 1.00 0.00 H new HETATM 330 N NH2 A 35 3.168 2.184 8.807 1.00 0.00 N TER 333 NH2 A 35 HETATM 334 C ACE B 0 8.418 -7.536 3.597 1.00 0.00 C HETATM 335 O ACE B 0 8.889 -7.545 2.492 1.00 0.00 O HETATM 336 CH3 ACE B 0 8.506 -6.349 4.560 1.00 0.00 C HETATM 0 H1 ACE B 0 7.501 -6.011 4.813 1.00 0.00 H new HETATM 0 H2 ACE B 0 9.025 -6.655 5.468 1.00 0.00 H new HETATM 0 H3 ACE B 0 9.054 -5.535 4.085 1.00 0.00 H new ATOM 337 N LYS B 1 7.854 -8.635 4.029 1.00 0.00 N ATOM 338 CA LYS B 1 7.709 -10.083 3.744 1.00 0.00 C ATOM 339 C LYS B 1 7.151 -10.364 2.345 1.00 0.00 C ATOM 340 O LYS B 1 6.382 -9.571 1.780 1.00 0.00 O ATOM 341 CB LYS B 1 6.749 -10.730 4.751 1.00 0.00 C ATOM 342 CG LYS B 1 7.216 -10.634 6.195 1.00 0.00 C ATOM 343 CD LYS B 1 6.113 -11.156 7.137 1.00 0.00 C ATOM 344 CE LYS B 1 6.483 -10.960 8.607 1.00 0.00 C ATOM 345 NZ LYS B 1 6.522 -9.531 8.951 1.00 0.00 N ATOM 0 H LYS B 1 7.298 -8.490 4.872 1.00 0.00 H new ATOM 0 HA LYS B 1 8.713 -10.501 3.817 1.00 0.00 H new ATOM 0 HB2 LYS B 1 5.772 -10.256 4.663 1.00 0.00 H new ATOM 0 HB3 LYS B 1 6.618 -11.780 4.491 1.00 0.00 H new ATOM 0 HG2 LYS B 1 8.128 -11.215 6.331 1.00 0.00 H new ATOM 0 HG3 LYS B 1 7.457 -9.600 6.441 1.00 0.00 H new ATOM 0 HD2 LYS B 1 5.178 -10.637 6.925 1.00 0.00 H new ATOM 0 HD3 LYS B 1 5.941 -12.215 6.944 1.00 0.00 H new ATOM 0 HE2 LYS B 1 5.758 -11.471 9.240 1.00 0.00 H new ATOM 0 HE3 LYS B 1 7.454 -11.413 8.805 1.00 0.00 H new ATOM 0 HZ1 LYS B 1 6.538 -9.423 9.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 1 7.376 -9.099 8.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 1 5.679 -9.058 8.567 1.00 0.00 H new ATOM 350 N SER B 2 7.612 -11.464 1.779 1.00 0.00 N ATOM 351 CA SER B 2 6.936 -12.129 0.647 1.00 0.00 C ATOM 352 C SER B 2 6.164 -13.334 1.201 1.00 0.00 C ATOM 353 O SER B 2 6.733 -14.394 1.478 1.00 0.00 O ATOM 354 CB SER B 2 7.979 -12.573 -0.392 1.00 0.00 C ATOM 355 OG SER B 2 8.952 -13.413 0.243 1.00 0.00 O ATOM 0 H SER B 2 8.466 -11.933 2.081 1.00 0.00 H new ATOM 0 HA SER B 2 6.244 -11.447 0.153 1.00 0.00 H new ATOM 0 HB2 SER B 2 7.493 -13.111 -1.206 1.00 0.00 H new ATOM 0 HB3 SER B 2 8.465 -11.702 -0.832 1.00 0.00 H new ATOM 0 HG SER B 2 8.503 -14.017 0.871 1.00 0.00 H new ATOM 358 N GLU B 3 4.909 -13.070 1.569 1.00 0.00 N ATOM 359 CA GLU B 3 4.040 -14.096 2.180 1.00 0.00 C ATOM 360 C GLU B 3 2.606 -14.152 1.644 1.00 0.00 C ATOM 361 O GLU B 3 1.963 -13.133 1.394 1.00 0.00 O ATOM 362 CB GLU B 3 4.024 -13.988 3.710 1.00 0.00 C ATOM 363 CG GLU B 3 4.855 -15.085 4.380 1.00 0.00 C ATOM 364 CD GLU B 3 4.173 -16.467 4.397 1.00 0.00 C ATOM 365 OE1 GLU B 3 3.932 -17.022 3.303 1.00 0.00 O ATOM 366 OE2 GLU B 3 3.868 -16.919 5.519 1.00 0.00 O ATOM 0 H GLU B 3 4.466 -12.158 1.458 1.00 0.00 H new ATOM 0 HA GLU B 3 4.502 -15.036 1.878 1.00 0.00 H new ATOM 0 HB2 GLU B 3 4.408 -13.012 4.007 1.00 0.00 H new ATOM 0 HB3 GLU B 3 2.995 -14.047 4.065 1.00 0.00 H new ATOM 0 HG2 GLU B 3 5.811 -15.169 3.863 1.00 0.00 H new ATOM 0 HG3 GLU B 3 5.073 -14.786 5.405 1.00 0.00 H new ATOM 368 N GLU B 4 2.092 -15.387 1.661 1.00 0.00 N ATOM 369 CA GLU B 4 0.699 -15.772 1.342 1.00 0.00 C ATOM 370 C GLU B 4 -0.340 -14.876 2.043 1.00 0.00 C ATOM 371 O GLU B 4 -1.231 -14.330 1.390 1.00 0.00 O ATOM 372 CB GLU B 4 0.576 -17.240 1.781 1.00 0.00 C ATOM 373 CG GLU B 4 -0.748 -17.911 1.416 1.00 0.00 C ATOM 374 CD GLU B 4 -0.787 -19.319 2.012 1.00 0.00 C ATOM 375 OE1 GLU B 4 -1.216 -19.419 3.179 1.00 0.00 O ATOM 376 OE2 GLU B 4 -0.323 -20.247 1.316 1.00 0.00 O ATOM 0 H GLU B 4 2.663 -16.195 1.911 1.00 0.00 H new ATOM 0 HA GLU B 4 0.491 -15.646 0.279 1.00 0.00 H new ATOM 0 HB2 GLU B 4 1.391 -17.808 1.332 1.00 0.00 H new ATOM 0 HB3 GLU B 4 0.708 -17.293 2.862 1.00 0.00 H new ATOM 0 HG2 GLU B 4 -1.583 -17.321 1.794 1.00 0.00 H new ATOM 0 HG3 GLU B 4 -0.857 -17.960 0.333 1.00 0.00 H new ATOM 378 N GLU B 5 -0.193 -14.720 3.352 1.00 0.00 N ATOM 379 CA GLU B 5 -1.045 -13.842 4.193 1.00 0.00 C ATOM 380 C GLU B 5 -1.148 -12.410 3.643 1.00 0.00 C ATOM 381 O GLU B 5 -2.247 -11.922 3.376 1.00 0.00 O ATOM 382 CB GLU B 5 -0.579 -13.786 5.652 1.00 0.00 C ATOM 383 CG GLU B 5 -0.528 -15.144 6.380 1.00 0.00 C ATOM 384 CD GLU B 5 0.826 -15.825 6.193 1.00 0.00 C ATOM 385 OE1 GLU B 5 1.754 -15.472 6.950 1.00 0.00 O ATOM 386 OE2 GLU B 5 0.966 -16.538 5.174 1.00 0.00 O ATOM 0 H GLU B 5 0.531 -15.203 3.884 1.00 0.00 H new ATOM 0 HA GLU B 5 -2.033 -14.301 4.159 1.00 0.00 H new ATOM 0 HB2 GLU B 5 0.415 -13.339 5.682 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -1.244 -13.122 6.203 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -0.719 -14.996 7.443 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -1.318 -15.792 6.001 1.00 0.00 H new ATOM 388 N LEU B 6 0.009 -11.824 3.340 1.00 0.00 N ATOM 389 CA LEU B 6 0.092 -10.501 2.704 1.00 0.00 C ATOM 390 C LEU B 6 -0.501 -10.438 1.290 1.00 0.00 C ATOM 391 O LEU B 6 -1.278 -9.531 1.015 1.00 0.00 O ATOM 392 CB LEU B 6 1.529 -9.959 2.684 1.00 0.00 C ATOM 393 CG LEU B 6 1.921 -9.291 4.009 1.00 0.00 C ATOM 394 CD1 LEU B 6 3.414 -8.979 3.998 1.00 0.00 C ATOM 395 CD2 LEU B 6 1.129 -7.989 4.235 1.00 0.00 C ATOM 0 H LEU B 6 0.917 -12.249 3.526 1.00 0.00 H new ATOM 0 HA LEU B 6 -0.528 -9.864 3.335 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.220 -10.776 2.474 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.631 -9.238 1.873 1.00 0.00 H new ATOM 0 HG LEU B 6 1.686 -9.980 4.821 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.693 -8.504 4.939 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.978 -9.904 3.876 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.639 -8.305 3.171 1.00 0.00 H new ATOM 0 HD21 LEU B 6 1.429 -7.540 5.182 1.00 0.00 H new ATOM 0 HD22 LEU B 6 1.334 -7.293 3.422 1.00 0.00 H new ATOM 0 HD23 LEU B 6 0.062 -8.212 4.262 1.00 0.00 H new ATOM 397 N ALA B 7 -0.237 -11.452 0.466 1.00 0.00 N ATOM 398 CA ALA B 7 -0.809 -11.610 -0.880 1.00 0.00 C ATOM 399 C ALA B 7 -2.357 -11.508 -0.898 1.00 0.00 C ATOM 400 O ALA B 7 -2.927 -10.788 -1.704 1.00 0.00 O ATOM 401 CB ALA B 7 -0.373 -12.940 -1.503 1.00 0.00 C ATOM 0 H ALA B 7 0.398 -12.209 0.719 1.00 0.00 H new ATOM 0 HA ALA B 7 -0.422 -10.781 -1.473 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -0.808 -13.036 -2.498 1.00 0.00 H new ATOM 0 HB2 ALA B 7 0.714 -12.968 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -0.715 -13.764 -0.877 1.00 0.00 H new ATOM 403 N ASN B 8 -2.977 -12.105 0.118 1.00 0.00 N ATOM 404 CA ASN B 8 -4.420 -12.042 0.357 1.00 0.00 C ATOM 405 C ASN B 8 -4.923 -10.672 0.843 1.00 0.00 C ATOM 406 O ASN B 8 -5.796 -10.086 0.200 1.00 0.00 O ATOM 407 CB ASN B 8 -4.800 -13.176 1.306 1.00 0.00 C ATOM 408 CG ASN B 8 -4.873 -14.523 0.570 1.00 0.00 C ATOM 409 OD1 ASN B 8 -5.919 -14.990 0.163 1.00 0.00 O ATOM 410 ND2 ASN B 8 -3.751 -15.179 0.393 1.00 0.00 N ATOM 0 H ASN B 8 -2.480 -12.659 0.815 1.00 0.00 H new ATOM 0 HA ASN B 8 -4.926 -12.172 -0.600 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -4.068 -13.239 2.111 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -5.764 -12.959 1.767 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -3.757 -16.080 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.873 -14.788 0.734 1.00 0.00 H new ATOM 414 N ALA B 9 -4.277 -10.109 1.855 1.00 0.00 N ATOM 415 CA ALA B 9 -4.553 -8.729 2.332 1.00 0.00 C ATOM 416 C ALA B 9 -4.424 -7.650 1.252 1.00 0.00 C ATOM 417 O ALA B 9 -5.310 -6.814 1.079 1.00 0.00 O ATOM 418 CB ALA B 9 -3.642 -8.414 3.525 1.00 0.00 C ATOM 0 H ALA B 9 -3.543 -10.584 2.380 1.00 0.00 H new ATOM 0 HA ALA B 9 -5.600 -8.706 2.633 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.841 -7.402 3.878 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.837 -9.124 4.329 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -2.599 -8.492 3.217 1.00 0.00 H new ATOM 420 N PHE B 10 -3.453 -7.890 0.386 1.00 0.00 N ATOM 421 CA PHE B 10 -3.141 -7.109 -0.816 1.00 0.00 C ATOM 422 C PHE B 10 -4.360 -7.008 -1.735 1.00 0.00 C ATOM 423 O PHE B 10 -4.936 -5.940 -1.887 1.00 0.00 O ATOM 424 CB PHE B 10 -1.996 -7.788 -1.551 1.00 0.00 C ATOM 425 CG PHE B 10 -1.284 -6.893 -2.570 1.00 0.00 C ATOM 426 CD1 PHE B 10 -0.367 -5.917 -2.123 1.00 0.00 C ATOM 427 CD2 PHE B 10 -1.469 -7.154 -3.944 1.00 0.00 C ATOM 428 CE1 PHE B 10 0.388 -5.194 -3.066 1.00 0.00 C ATOM 429 CE2 PHE B 10 -0.706 -6.444 -4.881 1.00 0.00 C ATOM 430 CZ PHE B 10 0.219 -5.473 -4.440 1.00 0.00 C ATOM 0 H PHE B 10 -2.820 -8.681 0.504 1.00 0.00 H new ATOM 0 HA PHE B 10 -2.857 -6.098 -0.523 1.00 0.00 H new ATOM 0 HB2 PHE B 10 -1.267 -8.138 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE B 10 -2.381 -8.669 -2.065 1.00 0.00 H new ATOM 0 HD1 PHE B 10 -0.246 -5.727 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE B 10 -2.189 -7.891 -4.269 1.00 0.00 H new ATOM 0 HE1 PHE B 10 1.087 -4.436 -2.743 1.00 0.00 H new ATOM 0 HE2 PHE B 10 -0.825 -6.639 -5.937 1.00 0.00 H new ATOM 0 HZ PHE B 10 0.808 -4.934 -5.167 1.00 0.00 H new ATOM 432 N ARG B 11 -4.892 -8.188 -1.998 1.00 0.00 N ATOM 433 CA ARG B 11 -6.069 -8.425 -2.834 1.00 0.00 C ATOM 434 C ARG B 11 -7.385 -7.828 -2.330 1.00 0.00 C ATOM 435 O ARG B 11 -8.142 -7.251 -3.111 1.00 0.00 O ATOM 436 CB ARG B 11 -6.202 -9.934 -3.087 1.00 0.00 C ATOM 437 CG ARG B 11 -5.765 -10.275 -4.517 1.00 0.00 C ATOM 438 CD ARG B 11 -4.314 -9.943 -4.876 1.00 0.00 C ATOM 439 NE ARG B 11 -4.231 -9.958 -6.347 1.00 0.00 N ATOM 440 CZ ARG B 11 -3.217 -9.545 -7.102 1.00 0.00 C ATOM 441 NH1 ARG B 11 -2.048 -9.161 -6.594 1.00 0.00 N ATOM 442 NH2 ARG B 11 -3.431 -9.334 -8.393 1.00 0.00 N ATOM 0 H ARG B 11 -4.502 -9.051 -1.620 1.00 0.00 H new ATOM 0 HA ARG B 11 -5.890 -7.882 -3.762 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.591 -10.485 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -7.235 -10.246 -2.931 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -5.923 -11.341 -4.679 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -6.419 -9.747 -5.211 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.031 -8.967 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -3.631 -10.673 -4.442 1.00 0.00 H new ATOM 0 HE ARG B 11 -5.043 -10.327 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -1.901 -9.176 -5.585 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -1.299 -8.852 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -4.359 -9.489 -8.788 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -2.668 -9.017 -8.991 1.00 0.00 H new ATOM 449 N ILE B 12 -7.463 -7.749 -1.010 1.00 0.00 N ATOM 450 CA ILE B 12 -8.604 -7.138 -0.311 1.00 0.00 C ATOM 451 C ILE B 12 -8.739 -5.643 -0.661 1.00 0.00 C ATOM 452 O ILE B 12 -9.814 -5.096 -0.924 1.00 0.00 O ATOM 453 CB ILE B 12 -8.606 -7.339 1.211 1.00 0.00 C ATOM 454 CG1 ILE B 12 -8.447 -8.804 1.652 1.00 0.00 C ATOM 455 CG2 ILE B 12 -9.783 -6.695 1.969 1.00 0.00 C ATOM 456 CD1 ILE B 12 -9.459 -9.812 1.090 1.00 0.00 C ATOM 0 H ILE B 12 -6.740 -8.105 -0.385 1.00 0.00 H new ATOM 0 HA ILE B 12 -9.477 -7.677 -0.679 1.00 0.00 H new ATOM 0 HB ILE B 12 -7.710 -6.790 1.500 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -7.447 -9.136 1.373 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -8.502 -8.839 2.740 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -9.684 -6.899 3.035 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -9.776 -5.618 1.804 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -10.722 -7.112 1.605 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -9.236 -10.806 1.478 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -10.466 -9.523 1.390 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -9.394 -9.824 0.002 1.00 0.00 H new ATOM 458 N PHE B 13 -7.575 -5.025 -0.596 1.00 0.00 N ATOM 459 CA PHE B 13 -7.280 -3.610 -0.847 1.00 0.00 C ATOM 460 C PHE B 13 -7.211 -3.272 -2.348 1.00 0.00 C ATOM 461 O PHE B 13 -7.559 -2.184 -2.802 1.00 0.00 O ATOM 462 CB PHE B 13 -5.921 -3.382 -0.172 1.00 0.00 C ATOM 463 CG PHE B 13 -5.873 -3.567 1.353 1.00 0.00 C ATOM 464 CD1 PHE B 13 -7.035 -3.428 2.159 1.00 0.00 C ATOM 465 CD2 PHE B 13 -4.622 -3.818 1.966 1.00 0.00 C ATOM 466 CE1 PHE B 13 -6.953 -3.531 3.560 1.00 0.00 C ATOM 467 CE2 PHE B 13 -4.528 -3.926 3.370 1.00 0.00 C ATOM 468 CZ PHE B 13 -5.690 -3.783 4.152 1.00 0.00 C ATOM 0 H PHE B 13 -6.730 -5.539 -0.344 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.067 -2.966 -0.455 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -5.198 -4.063 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -5.591 -2.369 -0.403 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -7.991 -3.241 1.692 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -3.737 -3.927 1.357 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.836 -3.420 4.173 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -3.574 -4.116 3.840 1.00 0.00 H new ATOM 0 HZ PHE B 13 -5.617 -3.867 5.226 1.00 0.00 H new ATOM 470 N ASP B 14 -6.606 -4.203 -3.092 1.00 0.00 N ATOM 471 CA ASP B 14 -6.482 -4.235 -4.566 1.00 0.00 C ATOM 472 C ASP B 14 -7.829 -4.654 -5.193 1.00 0.00 C ATOM 473 O ASP B 14 -7.967 -5.673 -5.853 1.00 0.00 O ATOM 474 CB ASP B 14 -5.332 -5.182 -4.929 1.00 0.00 C ATOM 475 CG ASP B 14 -4.923 -5.180 -6.404 1.00 0.00 C ATOM 476 OD1 ASP B 14 -5.633 -4.553 -7.220 1.00 0.00 O ATOM 477 OD2 ASP B 14 -3.932 -5.883 -6.720 1.00 0.00 O ATOM 0 H ASP B 14 -6.158 -5.011 -2.659 1.00 0.00 H new ATOM 0 HA ASP B 14 -6.247 -3.249 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP B 14 -4.462 -4.918 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP B 14 -5.617 -6.196 -4.649 1.00 0.00 H new ATOM 479 N LYS B 15 -8.763 -3.750 -4.950 1.00 0.00 N ATOM 480 CA LYS B 15 -10.177 -3.759 -5.417 1.00 0.00 C ATOM 481 C LYS B 15 -10.359 -4.246 -6.868 1.00 0.00 C ATOM 482 O LYS B 15 -11.222 -5.085 -7.128 1.00 0.00 O ATOM 483 CB LYS B 15 -10.774 -2.348 -5.317 1.00 0.00 C ATOM 484 CG LYS B 15 -10.672 -1.686 -3.940 1.00 0.00 C ATOM 485 CD LYS B 15 -11.412 -2.473 -2.858 1.00 0.00 C ATOM 486 CE LYS B 15 -11.230 -1.792 -1.500 1.00 0.00 C ATOM 487 NZ LYS B 15 -11.729 -2.680 -0.445 1.00 0.00 N ATOM 0 H LYS B 15 -8.560 -2.926 -4.384 1.00 0.00 H new ATOM 0 HA LYS B 15 -10.690 -4.465 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -10.276 -1.709 -6.046 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -11.825 -2.396 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -9.622 -1.591 -3.662 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -11.080 -0.677 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -12.472 -2.536 -3.103 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -11.033 -3.494 -2.816 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -10.177 -1.564 -1.332 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -11.769 -0.845 -1.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -11.608 -2.222 0.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -12.738 -2.876 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -11.196 -3.573 -0.462 1.00 0.00 H new ATOM 492 N ASN B 16 -9.585 -3.655 -7.783 1.00 0.00 N ATOM 493 CA ASN B 16 -9.609 -3.985 -9.215 1.00 0.00 C ATOM 494 C ASN B 16 -8.865 -5.288 -9.614 1.00 0.00 C ATOM 495 O ASN B 16 -9.017 -5.752 -10.736 1.00 0.00 O ATOM 496 CB ASN B 16 -9.069 -2.766 -9.975 1.00 0.00 C ATOM 497 CG ASN B 16 -7.608 -2.381 -9.714 1.00 0.00 C ATOM 498 OD1 ASN B 16 -6.790 -3.147 -9.219 1.00 0.00 O ATOM 499 ND2 ASN B 16 -7.225 -1.186 -10.100 1.00 0.00 N ATOM 0 H ASN B 16 -8.914 -2.923 -7.549 1.00 0.00 H new ATOM 0 HA ASN B 16 -10.642 -4.204 -9.486 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -9.186 -2.952 -11.043 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -9.695 -1.908 -9.730 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -6.252 -0.901 -9.987 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -7.900 -0.543 -10.513 1.00 0.00 H new ATOM 503 N ALA B 17 -8.002 -5.769 -8.715 1.00 0.00 N ATOM 504 CA ALA B 17 -7.149 -6.964 -8.842 1.00 0.00 C ATOM 505 C ALA B 17 -6.110 -6.869 -9.986 1.00 0.00 C ATOM 506 O ALA B 17 -5.883 -7.806 -10.752 1.00 0.00 O ATOM 507 CB ALA B 17 -8.004 -8.240 -8.882 1.00 0.00 C ATOM 0 H ALA B 17 -7.868 -5.305 -7.816 1.00 0.00 H new ATOM 0 HA ALA B 17 -6.534 -7.019 -7.943 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -7.355 -9.110 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -8.584 -8.318 -7.963 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -8.680 -8.198 -9.736 1.00 0.00 H new ATOM 509 N ASP B 18 -5.324 -5.791 -9.915 1.00 0.00 N ATOM 510 CA ASP B 18 -4.256 -5.512 -10.894 1.00 0.00 C ATOM 511 C ASP B 18 -2.866 -6.112 -10.590 1.00 0.00 C ATOM 512 O ASP B 18 -2.040 -6.227 -11.484 1.00 0.00 O ATOM 513 CB ASP B 18 -4.153 -3.999 -11.140 1.00 0.00 C ATOM 514 CG ASP B 18 -3.970 -3.102 -9.914 1.00 0.00 C ATOM 515 OD1 ASP B 18 -3.645 -3.660 -8.852 1.00 0.00 O ATOM 516 OD2 ASP B 18 -4.174 -1.871 -10.048 1.00 0.00 O ATOM 0 H ASP B 18 -5.405 -5.086 -9.182 1.00 0.00 H new ATOM 0 HA ASP B 18 -4.570 -6.037 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -3.316 -3.823 -11.815 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -5.056 -3.679 -11.661 1.00 0.00 H new ATOM 518 N GLY B 19 -2.650 -6.489 -9.328 1.00 0.00 N ATOM 519 CA GLY B 19 -1.334 -6.888 -8.789 1.00 0.00 C ATOM 520 C GLY B 19 -0.587 -5.735 -8.089 1.00 0.00 C ATOM 521 O GLY B 19 0.584 -5.884 -7.753 1.00 0.00 O ATOM 0 H GLY B 19 -3.395 -6.529 -8.633 1.00 0.00 H new ATOM 0 HA2 GLY B 19 -1.472 -7.705 -8.081 1.00 0.00 H new ATOM 0 HA3 GLY B 19 -0.717 -7.271 -9.602 1.00 0.00 H new ATOM 523 N TYR B 20 -1.318 -4.667 -7.786 1.00 0.00 N ATOM 524 CA TYR B 20 -0.767 -3.400 -7.285 1.00 0.00 C ATOM 525 C TYR B 20 -1.769 -2.694 -6.358 1.00 0.00 C ATOM 526 O TYR B 20 -2.951 -3.049 -6.278 1.00 0.00 O ATOM 527 CB TYR B 20 -0.560 -2.465 -8.483 1.00 0.00 C ATOM 528 CG TYR B 20 0.033 -3.066 -9.766 1.00 0.00 C ATOM 529 CD1 TYR B 20 1.366 -3.537 -9.767 1.00 0.00 C ATOM 530 CD2 TYR B 20 -0.731 -3.046 -10.954 1.00 0.00 C ATOM 531 CE1 TYR B 20 1.943 -3.993 -10.960 1.00 0.00 C ATOM 532 CE2 TYR B 20 -0.160 -3.502 -12.156 1.00 0.00 C ATOM 533 CZ TYR B 20 1.175 -3.960 -12.146 1.00 0.00 C ATOM 534 OH TYR B 20 1.759 -4.281 -13.327 1.00 0.00 O ATOM 0 H TYR B 20 -2.333 -4.652 -7.882 1.00 0.00 H new ATOM 0 HA TYR B 20 0.157 -3.614 -6.748 1.00 0.00 H new ATOM 0 HB2 TYR B 20 -1.525 -2.024 -8.734 1.00 0.00 H new ATOM 0 HB3 TYR B 20 0.089 -1.650 -8.164 1.00 0.00 H new ATOM 0 HD1 TYR B 20 1.938 -3.545 -8.851 1.00 0.00 H new ATOM 0 HD2 TYR B 20 -1.748 -2.683 -10.940 1.00 0.00 H new ATOM 0 HE1 TYR B 20 2.957 -4.363 -10.973 1.00 0.00 H new ATOM 0 HE2 TYR B 20 -0.734 -3.502 -13.071 1.00 0.00 H new ATOM 0 HH TYR B 20 1.099 -4.211 -14.048 1.00 0.00 H new ATOM 537 N ILE B 21 -1.268 -1.664 -5.680 1.00 0.00 N ATOM 538 CA ILE B 21 -2.087 -0.707 -4.901 1.00 0.00 C ATOM 539 C ILE B 21 -1.926 0.714 -5.484 1.00 0.00 C ATOM 540 O ILE B 21 -0.832 1.255 -5.538 1.00 0.00 O ATOM 541 CB ILE B 21 -1.758 -0.743 -3.405 1.00 0.00 C ATOM 542 CG1 ILE B 21 -2.085 -2.062 -2.701 1.00 0.00 C ATOM 543 CG2 ILE B 21 -2.301 0.438 -2.569 1.00 0.00 C ATOM 544 CD1 ILE B 21 -3.516 -2.578 -2.879 1.00 0.00 C ATOM 0 H ILE B 21 -0.269 -1.458 -5.649 1.00 0.00 H new ATOM 0 HA ILE B 21 -3.131 -1.007 -4.988 1.00 0.00 H new ATOM 0 HB ILE B 21 -0.673 -0.640 -3.439 1.00 0.00 H new ATOM 0 HG12 ILE B 21 -1.396 -2.825 -3.063 1.00 0.00 H new ATOM 0 HG13 ILE B 21 -1.893 -1.940 -1.635 1.00 0.00 H new ATOM 0 HG21 ILE B 21 -2.010 0.310 -1.526 1.00 0.00 H new ATOM 0 HG22 ILE B 21 -1.889 1.373 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE B 21 -3.388 0.465 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE B 21 -3.634 -3.517 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE B 21 -4.219 -1.843 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE B 21 -3.715 -2.742 -3.938 1.00 0.00 H new ATOM 546 N ASP B 22 -3.068 1.355 -5.669 1.00 0.00 N ATOM 547 CA ASP B 22 -3.181 2.778 -6.043 1.00 0.00 C ATOM 548 C ASP B 22 -3.666 3.686 -4.932 1.00 0.00 C ATOM 549 O ASP B 22 -4.196 3.235 -3.911 1.00 0.00 O ATOM 550 CB ASP B 22 -3.987 2.973 -7.331 1.00 0.00 C ATOM 551 CG ASP B 22 -4.952 1.854 -7.762 1.00 0.00 C ATOM 552 OD1 ASP B 22 -6.044 1.805 -7.189 1.00 0.00 O ATOM 553 OD2 ASP B 22 -4.567 1.096 -8.692 1.00 0.00 O ATOM 0 H ASP B 22 -3.974 0.898 -5.563 1.00 0.00 H new ATOM 0 HA ASP B 22 -2.156 3.094 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP B 22 -4.567 3.890 -7.225 1.00 0.00 H new ATOM 0 HB3 ASP B 22 -3.280 3.135 -8.145 1.00 0.00 H new ATOM 555 N ILE B 23 -3.639 4.977 -5.237 1.00 0.00 N ATOM 556 CA ILE B 23 -3.868 6.075 -4.272 1.00 0.00 C ATOM 557 C ILE B 23 -5.103 5.979 -3.345 1.00 0.00 C ATOM 558 O ILE B 23 -4.959 6.096 -2.129 1.00 0.00 O ATOM 559 CB ILE B 23 -3.742 7.428 -5.010 1.00 0.00 C ATOM 560 CG1 ILE B 23 -3.728 8.622 -4.045 1.00 0.00 C ATOM 561 CG2 ILE B 23 -4.818 7.635 -6.091 1.00 0.00 C ATOM 562 CD1 ILE B 23 -2.437 8.718 -3.233 1.00 0.00 C ATOM 0 H ILE B 23 -3.454 5.311 -6.183 1.00 0.00 H new ATOM 0 HA ILE B 23 -3.079 5.975 -3.527 1.00 0.00 H new ATOM 0 HB ILE B 23 -2.777 7.381 -5.515 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -3.863 9.543 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -4.575 8.541 -3.363 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -4.672 8.603 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -4.740 6.845 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -5.806 7.603 -5.632 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -2.488 9.582 -2.570 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.312 7.812 -2.640 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -1.589 8.829 -3.909 1.00 0.00 H new ATOM 564 N GLU B 24 -6.267 5.687 -3.908 1.00 0.00 N ATOM 565 CA GLU B 24 -7.521 5.514 -3.146 1.00 0.00 C ATOM 566 C GLU B 24 -7.566 4.290 -2.214 1.00 0.00 C ATOM 567 O GLU B 24 -7.940 4.370 -1.045 1.00 0.00 O ATOM 568 CB GLU B 24 -8.816 5.615 -3.977 1.00 0.00 C ATOM 569 CG GLU B 24 -8.729 5.491 -5.506 1.00 0.00 C ATOM 570 CD GLU B 24 -8.089 4.184 -5.979 1.00 0.00 C ATOM 571 OE1 GLU B 24 -8.781 3.137 -5.934 1.00 0.00 O ATOM 572 OE2 GLU B 24 -6.872 4.239 -6.263 1.00 0.00 O ATOM 0 H GLU B 24 -6.381 5.560 -4.914 1.00 0.00 H new ATOM 0 HA GLU B 24 -7.492 6.393 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU B 24 -9.497 4.841 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU B 24 -9.279 6.575 -3.750 1.00 0.00 H new ATOM 0 HG2 GLU B 24 -9.732 5.568 -5.926 1.00 0.00 H new ATOM 0 HG3 GLU B 24 -8.154 6.330 -5.898 1.00 0.00 H new ATOM 574 N GLU B 25 -7.024 3.219 -2.765 1.00 0.00 N ATOM 575 CA GLU B 25 -6.732 1.952 -2.096 1.00 0.00 C ATOM 576 C GLU B 25 -5.718 2.148 -0.942 1.00 0.00 C ATOM 577 O GLU B 25 -5.907 1.631 0.152 1.00 0.00 O ATOM 578 CB GLU B 25 -6.165 1.024 -3.165 1.00 0.00 C ATOM 579 CG GLU B 25 -7.204 0.594 -4.206 1.00 0.00 C ATOM 580 CD GLU B 25 -6.588 -0.363 -5.235 1.00 0.00 C ATOM 581 OE1 GLU B 25 -5.369 -0.217 -5.477 1.00 0.00 O ATOM 582 OE2 GLU B 25 -7.339 -1.168 -5.826 1.00 0.00 O ATOM 0 H GLU B 25 -6.758 3.204 -3.750 1.00 0.00 H new ATOM 0 HA GLU B 25 -7.632 1.533 -1.646 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -5.340 1.525 -3.671 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -5.753 0.137 -2.685 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -8.043 0.108 -3.708 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -7.601 1.473 -4.714 1.00 0.00 H new ATOM 584 N LEU B 26 -4.664 2.933 -1.197 1.00 0.00 N ATOM 585 CA LEU B 26 -3.734 3.406 -0.156 1.00 0.00 C ATOM 586 C LEU B 26 -4.415 4.268 0.921 1.00 0.00 C ATOM 587 O LEU B 26 -4.137 4.079 2.107 1.00 0.00 O ATOM 588 CB LEU B 26 -2.542 4.122 -0.828 1.00 0.00 C ATOM 589 CG LEU B 26 -1.355 4.499 0.079 1.00 0.00 C ATOM 590 CD1 LEU B 26 -1.549 5.834 0.804 1.00 0.00 C ATOM 591 CD2 LEU B 26 -0.897 3.368 1.004 1.00 0.00 C ATOM 0 H LEU B 26 -4.429 3.261 -2.134 1.00 0.00 H new ATOM 0 HA LEU B 26 -3.362 2.538 0.389 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -2.168 3.482 -1.627 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -2.914 5.033 -1.297 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.520 4.655 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -0.678 6.040 1.426 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.669 6.632 0.071 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.438 5.781 1.432 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.058 3.711 1.610 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.720 3.075 1.656 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -0.586 2.512 0.405 1.00 0.00 H new ATOM 593 N GLY B 27 -5.292 5.183 0.508 1.00 0.00 N ATOM 594 CA GLY B 27 -6.188 5.940 1.409 1.00 0.00 C ATOM 595 C GLY B 27 -6.861 5.052 2.462 1.00 0.00 C ATOM 596 O GLY B 27 -6.629 5.175 3.665 1.00 0.00 O ATOM 0 H GLY B 27 -5.409 5.429 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -5.616 6.721 1.911 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -6.955 6.438 0.816 1.00 0.00 H new ATOM 598 N GLU B 28 -7.509 4.031 1.919 1.00 0.00 N ATOM 599 CA GLU B 28 -8.105 2.903 2.652 1.00 0.00 C ATOM 600 C GLU B 28 -7.104 2.194 3.601 1.00 0.00 C ATOM 601 O GLU B 28 -7.400 2.048 4.787 1.00 0.00 O ATOM 602 CB GLU B 28 -8.653 1.978 1.565 1.00 0.00 C ATOM 603 CG GLU B 28 -9.245 0.647 2.039 1.00 0.00 C ATOM 604 CD GLU B 28 -9.139 -0.432 0.950 1.00 0.00 C ATOM 605 OE1 GLU B 28 -8.840 -0.093 -0.223 1.00 0.00 O ATOM 606 OE2 GLU B 28 -9.361 -1.600 1.334 1.00 0.00 O ATOM 0 H GLU B 28 -7.644 3.955 0.911 1.00 0.00 H new ATOM 0 HA GLU B 28 -8.890 3.238 3.330 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -9.423 2.517 1.013 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -7.849 1.763 0.862 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -8.723 0.314 2.936 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -10.291 0.789 2.313 1.00 0.00 H new ATOM 608 N ILE B 29 -5.930 1.794 3.088 1.00 0.00 N ATOM 609 CA ILE B 29 -4.856 1.159 3.898 1.00 0.00 C ATOM 610 C ILE B 29 -4.488 2.065 5.096 1.00 0.00 C ATOM 611 O ILE B 29 -4.534 1.612 6.248 1.00 0.00 O ATOM 612 CB ILE B 29 -3.615 0.772 3.110 1.00 0.00 C ATOM 613 CG1 ILE B 29 -3.948 -0.155 1.926 1.00 0.00 C ATOM 614 CG2 ILE B 29 -2.541 0.089 3.984 1.00 0.00 C ATOM 615 CD1 ILE B 29 -2.839 -0.248 0.875 1.00 0.00 C ATOM 0 H ILE B 29 -5.690 1.898 2.102 1.00 0.00 H new ATOM 0 HA ILE B 29 -5.269 0.216 4.256 1.00 0.00 H new ATOM 0 HB ILE B 29 -3.213 1.713 2.734 1.00 0.00 H new ATOM 0 HG12 ILE B 29 -4.157 -1.154 2.308 1.00 0.00 H new ATOM 0 HG13 ILE B 29 -4.860 0.200 1.446 1.00 0.00 H new ATOM 0 HG21 ILE B 29 -1.678 -0.165 3.368 1.00 0.00 H new ATOM 0 HG22 ILE B 29 -2.232 0.768 4.779 1.00 0.00 H new ATOM 0 HG23 ILE B 29 -2.953 -0.819 4.423 1.00 0.00 H new ATOM 0 HD11 ILE B 29 -3.151 -0.920 0.075 1.00 0.00 H new ATOM 0 HD12 ILE B 29 -2.645 0.742 0.462 1.00 0.00 H new ATOM 0 HD13 ILE B 29 -1.930 -0.633 1.338 1.00 0.00 H new ATOM 617 N LEU B 30 -4.223 3.340 4.823 1.00 0.00 N ATOM 618 CA LEU B 30 -3.802 4.314 5.836 1.00 0.00 C ATOM 619 C LEU B 30 -4.775 4.566 6.993 1.00 0.00 C ATOM 620 O LEU B 30 -4.347 4.875 8.104 1.00 0.00 O ATOM 621 CB LEU B 30 -3.370 5.637 5.206 1.00 0.00 C ATOM 622 CG LEU B 30 -1.892 5.898 5.521 1.00 0.00 C ATOM 623 CD1 LEU B 30 -0.980 5.114 4.587 1.00 0.00 C ATOM 624 CD2 LEU B 30 -1.578 7.394 5.411 1.00 0.00 C ATOM 0 H LEU B 30 -4.294 3.733 3.885 1.00 0.00 H new ATOM 0 HA LEU B 30 -2.947 3.824 6.302 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -3.522 5.605 4.127 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -3.984 6.452 5.590 1.00 0.00 H new ATOM 0 HG LEU B 30 -1.709 5.564 6.542 1.00 0.00 H new ATOM 0 HD11 LEU B 30 0.061 5.321 4.836 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -1.175 4.047 4.699 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -1.172 5.412 3.556 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -0.525 7.562 5.638 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -1.791 7.737 4.398 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -2.195 7.948 6.119 1.00 0.00 H new ATOM 626 N ARG B 31 -6.058 4.333 6.726 1.00 0.00 N ATOM 627 CA ARG B 31 -7.114 4.333 7.757 1.00 0.00 C ATOM 628 C ARG B 31 -6.850 3.342 8.892 1.00 0.00 C ATOM 629 O ARG B 31 -6.996 3.669 10.065 1.00 0.00 O ATOM 630 CB ARG B 31 -8.516 4.031 7.186 1.00 0.00 C ATOM 631 CG ARG B 31 -9.093 5.184 6.365 1.00 0.00 C ATOM 632 CD ARG B 31 -10.628 5.140 6.357 1.00 0.00 C ATOM 633 NE ARG B 31 -11.167 3.979 5.638 1.00 0.00 N ATOM 634 CZ ARG B 31 -12.410 3.862 5.144 1.00 0.00 C ATOM 635 NH1 ARG B 31 -13.341 4.779 5.360 1.00 0.00 N ATOM 636 NH2 ARG B 31 -12.733 2.831 4.394 1.00 0.00 N ATOM 0 H ARG B 31 -6.404 4.137 5.787 1.00 0.00 H new ATOM 0 HA ARG B 31 -7.090 5.349 8.150 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -8.462 3.140 6.561 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -9.195 3.804 8.008 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -8.755 6.134 6.778 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -8.719 5.130 5.343 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.990 5.124 7.385 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -11.009 6.053 5.899 1.00 0.00 H new ATOM 0 HE ARG B 31 -10.539 3.187 5.501 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -13.123 5.606 5.917 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -14.276 4.659 4.970 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.038 2.115 4.185 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -13.679 2.748 4.022 1.00 0.00 H new ATOM 643 N ALA B 32 -6.473 2.119 8.509 1.00 0.00 N ATOM 644 CA ALA B 32 -6.163 1.020 9.424 1.00 0.00 C ATOM 645 C ALA B 32 -4.716 1.013 9.954 1.00 0.00 C ATOM 646 O ALA B 32 -4.476 0.989 11.159 1.00 0.00 O ATOM 647 CB ALA B 32 -6.501 -0.340 8.783 1.00 0.00 C ATOM 0 H ALA B 32 -6.373 1.860 7.527 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.797 1.190 10.294 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -6.262 -1.141 9.482 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -7.563 -0.374 8.541 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -5.917 -0.468 7.871 1.00 0.00 H new ATOM 649 N THR B 33 -3.766 0.972 9.020 1.00 0.00 N ATOM 650 CA THR B 33 -2.318 0.955 9.297 1.00 0.00 C ATOM 651 C THR B 33 -1.657 2.195 8.684 1.00 0.00 C ATOM 652 O THR B 33 -1.371 2.250 7.483 1.00 0.00 O ATOM 653 CB THR B 33 -1.732 -0.314 8.665 1.00 0.00 C ATOM 654 OG1 THR B 33 -2.139 -0.419 7.301 1.00 0.00 O ATOM 655 CG2 THR B 33 -2.070 -1.571 9.483 1.00 0.00 C ATOM 0 H THR B 33 -3.981 0.949 8.023 1.00 0.00 H new ATOM 0 HA THR B 33 -2.136 0.962 10.372 1.00 0.00 H new ATOM 0 HB THR B 33 -0.645 -0.236 8.679 1.00 0.00 H new ATOM 0 HG1 THR B 33 -1.970 0.431 6.843 1.00 0.00 H new ATOM 0 HG21 THR B 33 -1.636 -2.447 9.000 1.00 0.00 H new ATOM 0 HG22 THR B 33 -1.662 -1.471 10.489 1.00 0.00 H new ATOM 0 HG23 THR B 33 -3.152 -1.687 9.541 1.00 0.00 H new ATOM 658 N GLY B 34 -1.505 3.202 9.540 1.00 0.00 N ATOM 659 CA GLY B 34 -0.893 4.511 9.198 1.00 0.00 C ATOM 660 C GLY B 34 0.515 4.648 9.785 1.00 0.00 C ATOM 661 O GLY B 34 0.730 4.753 10.977 1.00 0.00 O ATOM 0 H GLY B 34 -1.805 3.144 10.513 1.00 0.00 H new ATOM 0 HA2 GLY B 34 -0.848 4.620 8.114 1.00 0.00 H new ATOM 0 HA3 GLY B 34 -1.524 5.317 9.573 1.00 0.00 H new HETATM 663 N NH2 B 35 1.506 4.646 8.919 1.00 0.00 N TER 666 NH2 B 35 HETATM 667 CA CA A 69 6.275 1.383 -5.977 1.00 0.00 CA HETATM 668 CA CA B 70 -5.169 -1.863 -7.462 1.00 0.00 CA