USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 753 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 46 HIS : no HD1:sc= -4.37! C(o=-12!,f=-8!) USER MOD Set 1.2: A 48 ASN : amide:sc= -7.38! C(o=-12!,f=-5!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 66:sc= 0.812 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 159:sc= 1.12 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.414) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc=-0.00746 (180deg=-0.112) USER MOD Single : A 21 GLN : amide:sc= -1.98 K(o=-2,f=-0.88) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -54:sc= 0.668 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -80:sc= 0.122 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 74:sc= 0.202 USER MOD Single : A 43 MET CE :methyl -144:sc= -0.341 (180deg=-0.555) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 161:sc= -0.0372 (180deg=-0.239) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.0172 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 68 GLN : amide:sc= -5.03! C(o=-5!,f=-4.8!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0032 (180deg=-0.143) USER MOD Single : A 74 HIS : no HE2:sc= -3.79! C(o=-3.8!,f=-5.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -3.31! C(o=-3.3!,f=-11!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 6:sc= 0.846 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 59:sc= 0.0802 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.631 17.044 16.096 1.00 0.00 N ATOM 2 CA GLY A 1 20.524 16.059 17.156 1.00 0.00 C ATOM 3 C GLY A 1 19.900 16.626 18.415 1.00 0.00 C ATOM 4 O GLY A 1 18.679 16.607 18.574 1.00 0.00 O ATOM 0 H1 GLY A 1 21.064 16.606 15.258 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.683 17.396 15.852 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.223 17.837 16.417 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.927 15.217 16.806 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.516 15.671 17.389 1.00 0.00 H new ATOM 8 N SER A 2 20.739 17.131 19.314 1.00 0.00 N ATOM 9 CA SER A 2 20.262 17.702 20.568 1.00 0.00 C ATOM 10 C SER A 2 19.085 16.901 21.117 1.00 0.00 C ATOM 11 O SER A 2 18.110 17.469 21.609 1.00 0.00 O ATOM 12 CB SER A 2 19.851 19.162 20.366 1.00 0.00 C ATOM 13 OG SER A 2 19.992 19.903 21.565 1.00 0.00 O ATOM 0 H SER A 2 21.752 17.156 19.197 1.00 0.00 H new ATOM 0 HA SER A 2 21.077 17.659 21.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.464 19.610 19.584 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.816 19.208 20.026 1.00 0.00 H new ATOM 0 HG SER A 2 19.724 20.833 21.408 1.00 0.00 H new ATOM 19 N SER A 3 19.184 15.579 21.028 1.00 0.00 N ATOM 20 CA SER A 3 18.127 14.699 21.511 1.00 0.00 C ATOM 21 C SER A 3 18.680 13.677 22.500 1.00 0.00 C ATOM 22 O SER A 3 19.748 13.104 22.286 1.00 0.00 O ATOM 23 CB SER A 3 17.457 13.980 20.339 1.00 0.00 C ATOM 24 OG SER A 3 16.646 14.869 19.592 1.00 0.00 O ATOM 0 H SER A 3 19.986 15.094 20.626 1.00 0.00 H new ATOM 0 HA SER A 3 17.385 15.311 22.024 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.219 13.546 19.691 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.850 13.156 20.713 1.00 0.00 H new ATOM 0 HG SER A 3 17.212 15.539 19.155 1.00 0.00 H new ATOM 30 N GLY A 4 17.945 13.454 23.585 1.00 0.00 N ATOM 31 CA GLY A 4 18.377 12.502 24.592 1.00 0.00 C ATOM 32 C GLY A 4 18.348 11.073 24.088 1.00 0.00 C ATOM 33 O GLY A 4 19.393 10.441 23.934 1.00 0.00 O ATOM 0 H GLY A 4 17.058 13.916 23.785 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.389 12.751 24.912 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.735 12.588 25.468 1.00 0.00 H new ATOM 37 N SER A 5 17.149 10.561 23.832 1.00 0.00 N ATOM 38 CA SER A 5 16.988 9.195 23.348 1.00 0.00 C ATOM 39 C SER A 5 16.990 9.155 21.823 1.00 0.00 C ATOM 40 O SER A 5 15.986 9.466 21.182 1.00 0.00 O ATOM 41 CB SER A 5 15.688 8.592 23.884 1.00 0.00 C ATOM 42 OG SER A 5 15.626 8.684 25.296 1.00 0.00 O ATOM 0 H SER A 5 16.274 11.072 23.952 1.00 0.00 H new ATOM 0 HA SER A 5 17.830 8.606 23.710 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.835 9.110 23.445 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.616 7.547 23.581 1.00 0.00 H new ATOM 0 HG SER A 5 14.785 8.293 25.613 1.00 0.00 H new ATOM 48 N SER A 6 18.125 8.770 21.249 1.00 0.00 N ATOM 49 CA SER A 6 18.261 8.693 19.799 1.00 0.00 C ATOM 50 C SER A 6 17.360 7.603 19.227 1.00 0.00 C ATOM 51 O SER A 6 17.288 6.497 19.760 1.00 0.00 O ATOM 52 CB SER A 6 19.717 8.420 19.416 1.00 0.00 C ATOM 53 OG SER A 6 20.037 7.048 19.572 1.00 0.00 O ATOM 0 H SER A 6 18.964 8.506 21.766 1.00 0.00 H new ATOM 0 HA SER A 6 17.956 9.651 19.378 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.887 8.721 18.382 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.379 9.024 20.037 1.00 0.00 H new ATOM 0 HG SER A 6 20.972 6.899 19.319 1.00 0.00 H new ATOM 59 N GLY A 7 16.672 7.925 18.135 1.00 0.00 N ATOM 60 CA GLY A 7 15.784 6.964 17.507 1.00 0.00 C ATOM 61 C GLY A 7 14.364 7.481 17.384 1.00 0.00 C ATOM 62 O GLY A 7 13.666 7.641 18.386 1.00 0.00 O ATOM 0 H GLY A 7 16.714 8.834 17.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.164 6.716 16.516 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.783 6.042 18.088 1.00 0.00 H new ATOM 66 N TYR A 8 13.937 7.744 16.155 1.00 0.00 N ATOM 67 CA TYR A 8 12.592 8.250 15.905 1.00 0.00 C ATOM 68 C TYR A 8 11.902 7.444 14.809 1.00 0.00 C ATOM 69 O TYR A 8 11.026 7.951 14.107 1.00 0.00 O ATOM 70 CB TYR A 8 12.645 9.727 15.510 1.00 0.00 C ATOM 71 CG TYR A 8 13.787 10.064 14.578 1.00 0.00 C ATOM 72 CD1 TYR A 8 13.899 9.450 13.336 1.00 0.00 C ATOM 73 CD2 TYR A 8 14.753 10.994 14.938 1.00 0.00 C ATOM 74 CE1 TYR A 8 14.940 9.754 12.480 1.00 0.00 C ATOM 75 CE2 TYR A 8 15.797 11.306 14.088 1.00 0.00 C ATOM 76 CZ TYR A 8 15.886 10.683 12.861 1.00 0.00 C ATOM 77 OH TYR A 8 16.925 10.989 12.012 1.00 0.00 O ATOM 0 H TYR A 8 14.502 7.615 15.316 1.00 0.00 H new ATOM 0 HA TYR A 8 12.016 8.147 16.825 1.00 0.00 H new ATOM 0 HB2 TYR A 8 11.704 10.001 15.032 1.00 0.00 H new ATOM 0 HB3 TYR A 8 12.732 10.333 16.412 1.00 0.00 H new ATOM 0 HD1 TYR A 8 13.160 8.723 13.035 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.687 11.482 15.899 1.00 0.00 H new ATOM 0 HE1 TYR A 8 15.013 9.267 11.519 1.00 0.00 H new ATOM 0 HE2 TYR A 8 16.539 12.033 14.383 1.00 0.00 H new ATOM 0 HH TYR A 8 17.502 11.662 12.430 1.00 0.00 H new ATOM 87 N LEU A 9 12.301 6.185 14.669 1.00 0.00 N ATOM 88 CA LEU A 9 11.722 5.305 13.660 1.00 0.00 C ATOM 89 C LEU A 9 10.234 5.086 13.918 1.00 0.00 C ATOM 90 O LEU A 9 9.853 4.305 14.790 1.00 0.00 O ATOM 91 CB LEU A 9 12.452 3.962 13.646 1.00 0.00 C ATOM 92 CG LEU A 9 13.678 3.873 12.736 1.00 0.00 C ATOM 93 CD1 LEU A 9 13.255 3.676 11.288 1.00 0.00 C ATOM 94 CD2 LEU A 9 14.538 5.121 12.877 1.00 0.00 C ATOM 0 H LEU A 9 13.024 5.750 15.242 1.00 0.00 H new ATOM 0 HA LEU A 9 11.837 5.783 12.687 1.00 0.00 H new ATOM 0 HB2 LEU A 9 12.763 3.730 14.665 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.744 3.190 13.345 1.00 0.00 H new ATOM 0 HG LEU A 9 14.271 3.011 13.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 14.141 3.615 10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 9 12.681 2.754 11.199 1.00 0.00 H new ATOM 0 HD13 LEU A 9 12.640 4.518 10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.406 5.041 12.223 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.954 5.999 12.599 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.871 5.219 13.910 1.00 0.00 H new ATOM 106 N LYS A 10 9.398 5.780 13.153 1.00 0.00 N ATOM 107 CA LYS A 10 7.952 5.659 13.295 1.00 0.00 C ATOM 108 C LYS A 10 7.435 4.420 12.571 1.00 0.00 C ATOM 109 O LYS A 10 8.009 3.989 11.571 1.00 0.00 O ATOM 110 CB LYS A 10 7.259 6.909 12.748 1.00 0.00 C ATOM 111 CG LYS A 10 5.940 7.223 13.432 1.00 0.00 C ATOM 112 CD LYS A 10 4.774 6.539 12.738 1.00 0.00 C ATOM 113 CE LYS A 10 3.456 7.231 13.049 1.00 0.00 C ATOM 114 NZ LYS A 10 2.894 6.789 14.356 1.00 0.00 N ATOM 0 H LYS A 10 9.697 6.432 12.428 1.00 0.00 H new ATOM 0 HA LYS A 10 7.724 5.559 14.356 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.928 7.762 12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.083 6.778 11.680 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.984 6.902 14.473 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.780 8.301 13.437 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.940 6.538 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.722 5.497 13.053 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.607 8.310 13.065 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.739 7.021 12.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.996 7.283 14.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.726 5.763 14.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.567 7.012 15.117 1.00 0.00 H new ATOM 128 N LEU A 11 6.348 3.853 13.082 1.00 0.00 N ATOM 129 CA LEU A 11 5.752 2.663 12.483 1.00 0.00 C ATOM 130 C LEU A 11 4.351 2.961 11.958 1.00 0.00 C ATOM 131 O LEU A 11 3.522 3.535 12.664 1.00 0.00 O ATOM 132 CB LEU A 11 5.696 1.527 13.505 1.00 0.00 C ATOM 133 CG LEU A 11 7.038 0.905 13.892 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.631 0.141 12.717 1.00 0.00 C ATOM 135 CD2 LEU A 11 8.004 1.977 14.375 1.00 0.00 C ATOM 0 H LEU A 11 5.861 4.198 13.909 1.00 0.00 H new ATOM 0 HA LEU A 11 6.377 2.357 11.644 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.218 1.903 14.410 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.054 0.740 13.109 1.00 0.00 H new ATOM 0 HG LEU A 11 6.869 0.203 14.708 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.586 -0.295 13.011 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.947 -0.653 12.417 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.785 0.823 11.881 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.954 1.516 14.646 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.168 2.704 13.580 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.583 2.480 15.246 1.00 0.00 H new ATOM 147 N VAL A 12 4.093 2.565 10.716 1.00 0.00 N ATOM 148 CA VAL A 12 2.791 2.786 10.098 1.00 0.00 C ATOM 149 C VAL A 12 2.164 1.470 9.653 1.00 0.00 C ATOM 150 O VAL A 12 2.837 0.611 9.083 1.00 0.00 O ATOM 151 CB VAL A 12 2.899 3.727 8.883 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.835 4.887 9.188 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.369 2.961 7.656 1.00 0.00 C ATOM 0 H VAL A 12 4.768 2.089 10.118 1.00 0.00 H new ATOM 0 HA VAL A 12 2.157 3.251 10.853 1.00 0.00 H new ATOM 0 HB VAL A 12 1.910 4.134 8.672 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.899 5.541 8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.451 5.450 10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.826 4.502 9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.440 3.641 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.348 2.524 7.853 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.657 2.168 7.427 1.00 0.00 H new ATOM 163 N ARG A 13 0.870 1.319 9.916 1.00 0.00 N ATOM 164 CA ARG A 13 0.151 0.107 9.544 1.00 0.00 C ATOM 165 C ARG A 13 -0.694 0.338 8.294 1.00 0.00 C ATOM 166 O ARG A 13 -1.367 1.362 8.169 1.00 0.00 O ATOM 167 CB ARG A 13 -0.742 -0.358 10.696 1.00 0.00 C ATOM 168 CG ARG A 13 0.029 -0.719 11.955 1.00 0.00 C ATOM 169 CD ARG A 13 0.221 0.490 12.858 1.00 0.00 C ATOM 170 NE ARG A 13 -0.874 0.638 13.813 1.00 0.00 N ATOM 171 CZ ARG A 13 -1.087 -0.197 14.824 1.00 0.00 C ATOM 172 NH1 ARG A 13 -0.283 -1.235 15.010 1.00 0.00 N ATOM 173 NH2 ARG A 13 -2.104 0.005 15.650 1.00 0.00 N ATOM 0 H ARG A 13 0.298 2.021 10.385 1.00 0.00 H new ATOM 0 HA ARG A 13 0.886 -0.668 9.328 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.457 0.430 10.931 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.318 -1.225 10.371 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.504 -1.499 12.498 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.002 -1.129 11.682 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.163 0.393 13.398 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.294 1.390 12.248 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.511 1.426 13.697 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.500 -1.393 14.376 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.448 -1.875 15.787 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.724 0.802 15.510 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.266 -0.637 16.426 1.00 0.00 H new ATOM 187 N ILE A 14 -0.653 -0.618 7.373 1.00 0.00 N ATOM 188 CA ILE A 14 -1.414 -0.519 6.134 1.00 0.00 C ATOM 189 C ILE A 14 -2.339 -1.718 5.959 1.00 0.00 C ATOM 190 O ILE A 14 -1.885 -2.861 5.893 1.00 0.00 O ATOM 191 CB ILE A 14 -0.486 -0.418 4.909 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.435 0.797 5.039 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.305 -0.334 3.630 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.309 2.111 5.141 1.00 0.00 C ATOM 0 H ILE A 14 -0.100 -1.471 7.461 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.011 0.390 6.203 1.00 0.00 H new ATOM 0 HB ILE A 14 0.131 -1.315 4.864 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.062 0.674 5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.101 0.832 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.635 -0.263 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.923 -1.227 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.944 0.548 3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.407 2.928 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.915 2.256 4.247 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.955 2.096 6.019 1.00 0.00 H new ATOM 206 N TYR A 15 -3.638 -1.451 5.884 1.00 0.00 N ATOM 207 CA TYR A 15 -4.628 -2.508 5.717 1.00 0.00 C ATOM 208 C TYR A 15 -4.936 -2.738 4.240 1.00 0.00 C ATOM 209 O TYR A 15 -5.692 -1.985 3.626 1.00 0.00 O ATOM 210 CB TYR A 15 -5.913 -2.156 6.468 1.00 0.00 C ATOM 211 CG TYR A 15 -5.683 -1.765 7.911 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.414 -2.726 8.877 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.736 -0.434 8.307 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.204 -2.374 10.196 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.525 -0.073 9.624 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.260 -1.046 10.565 1.00 0.00 C ATOM 217 OH TYR A 15 -5.052 -0.690 11.877 1.00 0.00 O ATOM 0 H TYR A 15 -4.030 -0.511 5.936 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.213 -3.427 6.131 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.412 -1.335 5.953 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.589 -3.010 6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.368 -3.767 8.592 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.945 0.331 7.574 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.997 -3.134 10.934 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.567 0.966 9.915 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.788 0.253 11.922 1.00 0.00 H new ATOM 227 N THR A 16 -4.344 -3.786 3.675 1.00 0.00 N ATOM 228 CA THR A 16 -4.553 -4.117 2.272 1.00 0.00 C ATOM 229 C THR A 16 -5.957 -4.663 2.039 1.00 0.00 C ATOM 230 O THR A 16 -6.475 -5.438 2.842 1.00 0.00 O ATOM 231 CB THR A 16 -3.524 -5.152 1.779 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.616 -5.297 0.358 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.751 -6.500 2.447 1.00 0.00 C ATOM 0 H THR A 16 -3.716 -4.420 4.169 1.00 0.00 H new ATOM 0 HA THR A 16 -4.427 -3.193 1.708 1.00 0.00 H new ATOM 0 HB THR A 16 -2.528 -4.796 2.043 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.957 -5.955 0.053 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.013 -7.215 2.084 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.651 -6.392 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.752 -6.860 2.210 1.00 0.00 H new ATOM 241 N LYS A 17 -6.570 -4.253 0.933 1.00 0.00 N ATOM 242 CA LYS A 17 -7.915 -4.702 0.592 1.00 0.00 C ATOM 243 C LYS A 17 -7.888 -5.631 -0.617 1.00 0.00 C ATOM 244 O LYS A 17 -7.902 -5.192 -1.768 1.00 0.00 O ATOM 245 CB LYS A 17 -8.818 -3.500 0.305 1.00 0.00 C ATOM 246 CG LYS A 17 -10.276 -3.738 0.658 1.00 0.00 C ATOM 247 CD LYS A 17 -11.175 -2.664 0.068 1.00 0.00 C ATOM 248 CE LYS A 17 -12.496 -2.569 0.817 1.00 0.00 C ATOM 249 NZ LYS A 17 -12.431 -1.588 1.935 1.00 0.00 N ATOM 0 H LYS A 17 -6.156 -3.610 0.258 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.314 -5.254 1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.453 -2.639 0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.745 -3.246 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.586 -4.716 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.391 -3.755 1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.665 -1.701 0.104 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.366 -2.885 -0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.286 -2.278 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.762 -3.550 1.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.172 -1.805 2.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.499 -1.645 2.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.576 -0.628 1.563 1.00 0.00 H new ATOM 263 N PRO A 18 -7.848 -6.945 -0.354 1.00 0.00 N ATOM 264 CA PRO A 18 -7.821 -7.963 -1.408 1.00 0.00 C ATOM 265 C PRO A 18 -9.144 -8.054 -2.161 1.00 0.00 C ATOM 266 O PRO A 18 -10.208 -8.180 -1.555 1.00 0.00 O ATOM 267 CB PRO A 18 -7.552 -9.261 -0.642 1.00 0.00 C ATOM 268 CG PRO A 18 -8.064 -9.001 0.733 1.00 0.00 C ATOM 269 CD PRO A 18 -7.829 -7.539 0.993 1.00 0.00 C ATOM 0 HA PRO A 18 -7.075 -7.739 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.064 -10.106 -1.102 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.489 -9.501 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.124 -9.245 0.807 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.543 -9.616 1.466 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.605 -7.115 1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.876 -7.368 1.494 1.00 0.00 H new ATOM 277 N LYS A 19 -9.071 -7.989 -3.487 1.00 0.00 N ATOM 278 CA LYS A 19 -10.262 -8.065 -4.324 1.00 0.00 C ATOM 279 C LYS A 19 -11.083 -9.306 -3.989 1.00 0.00 C ATOM 280 O LYS A 19 -10.623 -10.433 -4.164 1.00 0.00 O ATOM 281 CB LYS A 19 -9.870 -8.084 -5.803 1.00 0.00 C ATOM 282 CG LYS A 19 -8.956 -9.238 -6.176 1.00 0.00 C ATOM 283 CD LYS A 19 -8.121 -8.914 -7.403 1.00 0.00 C ATOM 284 CE LYS A 19 -6.872 -8.129 -7.036 1.00 0.00 C ATOM 285 NZ LYS A 19 -5.854 -8.986 -6.367 1.00 0.00 N ATOM 0 H LYS A 19 -8.198 -7.884 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.872 -7.183 -4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.774 -8.138 -6.409 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.375 -7.145 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.298 -9.468 -5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.553 -10.130 -6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.836 -9.839 -7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.719 -8.339 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.442 -7.690 -7.936 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.142 -7.304 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.933 -8.503 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.142 -9.163 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.775 -9.891 -6.873 1.00 0.00 H new ATOM 299 N GLY A 20 -12.304 -9.091 -3.508 1.00 0.00 N ATOM 300 CA GLY A 20 -13.170 -10.201 -3.158 1.00 0.00 C ATOM 301 C GLY A 20 -13.371 -10.331 -1.661 1.00 0.00 C ATOM 302 O GLY A 20 -14.502 -10.431 -1.187 1.00 0.00 O ATOM 0 H GLY A 20 -12.709 -8.167 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.138 -10.069 -3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.744 -11.126 -3.546 1.00 0.00 H new ATOM 306 N GLN A 21 -12.270 -10.330 -0.915 1.00 0.00 N ATOM 307 CA GLN A 21 -12.331 -10.451 0.536 1.00 0.00 C ATOM 308 C GLN A 21 -12.216 -9.083 1.202 1.00 0.00 C ATOM 309 O GLN A 21 -12.021 -8.069 0.530 1.00 0.00 O ATOM 310 CB GLN A 21 -11.219 -11.372 1.040 1.00 0.00 C ATOM 311 CG GLN A 21 -11.482 -11.944 2.424 1.00 0.00 C ATOM 312 CD GLN A 21 -12.948 -12.247 2.661 1.00 0.00 C ATOM 313 OE1 GLN A 21 -13.571 -12.991 1.903 1.00 0.00 O ATOM 314 NE2 GLN A 21 -13.509 -11.670 3.717 1.00 0.00 N ATOM 0 H GLN A 21 -11.326 -10.247 -1.292 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.297 -10.883 0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.092 -12.193 0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.280 -10.818 1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.901 -12.857 2.552 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -11.135 -11.237 3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.956 -11.060 4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.493 -11.836 3.926 1.00 0.00 H new ATOM 323 N LEU A 22 -12.337 -9.062 2.524 1.00 0.00 N ATOM 324 CA LEU A 22 -12.246 -7.819 3.282 1.00 0.00 C ATOM 325 C LEU A 22 -10.808 -7.547 3.712 1.00 0.00 C ATOM 326 O LEU A 22 -9.991 -8.458 3.843 1.00 0.00 O ATOM 327 CB LEU A 22 -13.156 -7.879 4.510 1.00 0.00 C ATOM 328 CG LEU A 22 -12.515 -8.407 5.794 1.00 0.00 C ATOM 329 CD1 LEU A 22 -11.725 -7.308 6.488 1.00 0.00 C ATOM 330 CD2 LEU A 22 -13.577 -8.973 6.726 1.00 0.00 C ATOM 0 H LEU A 22 -12.499 -9.892 3.094 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.572 -7.004 2.636 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.538 -6.877 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.014 -8.507 4.271 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.826 -9.209 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.276 -7.703 7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.940 -6.949 5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.392 -6.484 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.103 -9.344 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.291 -8.190 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.099 -9.791 6.229 1.00 0.00 H new ATOM 342 N PRO A 23 -10.491 -6.264 3.940 1.00 0.00 N ATOM 343 CA PRO A 23 -9.152 -5.843 4.362 1.00 0.00 C ATOM 344 C PRO A 23 -8.830 -6.277 5.788 1.00 0.00 C ATOM 345 O PRO A 23 -9.479 -5.845 6.740 1.00 0.00 O ATOM 346 CB PRO A 23 -9.215 -4.316 4.270 1.00 0.00 C ATOM 347 CG PRO A 23 -10.659 -3.986 4.428 1.00 0.00 C ATOM 348 CD PRO A 23 -11.415 -5.126 3.803 1.00 0.00 C ATOM 0 HA PRO A 23 -8.372 -6.290 3.746 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.614 -3.847 5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.830 -3.961 3.314 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.921 -3.874 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.900 -3.043 3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.359 -5.311 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.653 -4.925 2.758 1.00 0.00 H new ATOM 356 N ASP A 24 -7.824 -7.134 5.927 1.00 0.00 N ATOM 357 CA ASP A 24 -7.415 -7.626 7.238 1.00 0.00 C ATOM 358 C ASP A 24 -7.041 -6.470 8.160 1.00 0.00 C ATOM 359 O ASP A 24 -6.094 -5.731 7.892 1.00 0.00 O ATOM 360 CB ASP A 24 -6.234 -8.587 7.099 1.00 0.00 C ATOM 361 CG ASP A 24 -6.416 -9.568 5.958 1.00 0.00 C ATOM 362 OD1 ASP A 24 -6.626 -9.115 4.813 1.00 0.00 O ATOM 363 OD2 ASP A 24 -6.348 -10.789 6.209 1.00 0.00 O ATOM 0 H ASP A 24 -7.277 -7.502 5.149 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.258 -8.159 7.678 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.320 -8.014 6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.106 -9.138 8.031 1.00 0.00 H new ATOM 368 N TYR A 25 -7.792 -6.319 9.245 1.00 0.00 N ATOM 369 CA TYR A 25 -7.541 -5.251 10.205 1.00 0.00 C ATOM 370 C TYR A 25 -6.796 -5.780 11.427 1.00 0.00 C ATOM 371 O TYR A 25 -6.518 -5.038 12.370 1.00 0.00 O ATOM 372 CB TYR A 25 -8.859 -4.606 10.638 1.00 0.00 C ATOM 373 CG TYR A 25 -9.510 -3.774 9.556 1.00 0.00 C ATOM 374 CD1 TYR A 25 -8.974 -2.548 9.179 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.660 -4.212 8.911 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.566 -1.784 8.191 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.257 -3.456 7.922 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.706 -2.242 7.566 1.00 0.00 C ATOM 379 OH TYR A 25 -11.299 -1.485 6.581 1.00 0.00 O ATOM 0 H TYR A 25 -8.579 -6.923 9.482 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.918 -4.500 9.719 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.551 -5.388 10.949 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.677 -3.976 11.509 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.080 -2.187 9.666 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.095 -5.161 9.188 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.138 -0.833 7.910 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.150 -3.813 7.430 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.092 -1.951 6.243 1.00 0.00 H new ATOM 389 N THR A 26 -6.474 -7.069 11.403 1.00 0.00 N ATOM 390 CA THR A 26 -5.762 -7.700 12.507 1.00 0.00 C ATOM 391 C THR A 26 -4.384 -8.182 12.069 1.00 0.00 C ATOM 392 O THR A 26 -3.489 -8.368 12.894 1.00 0.00 O ATOM 393 CB THR A 26 -6.553 -8.892 13.078 1.00 0.00 C ATOM 394 OG1 THR A 26 -5.883 -9.418 14.230 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.710 -9.987 12.033 1.00 0.00 C ATOM 0 H THR A 26 -6.695 -7.697 10.630 1.00 0.00 H new ATOM 0 HA THR A 26 -5.649 -6.943 13.283 1.00 0.00 H new ATOM 0 HB THR A 26 -7.544 -8.539 13.364 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.393 -10.174 14.588 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.272 -10.818 12.459 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.245 -9.592 11.170 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.726 -10.336 11.721 1.00 0.00 H new ATOM 403 N SER A 27 -4.219 -8.381 10.765 1.00 0.00 N ATOM 404 CA SER A 27 -2.949 -8.844 10.217 1.00 0.00 C ATOM 405 C SER A 27 -2.392 -7.840 9.214 1.00 0.00 C ATOM 406 O SER A 27 -2.023 -8.185 8.091 1.00 0.00 O ATOM 407 CB SER A 27 -3.126 -10.208 9.546 1.00 0.00 C ATOM 408 OG SER A 27 -1.898 -10.682 9.022 1.00 0.00 O ATOM 0 H SER A 27 -4.949 -8.229 10.069 1.00 0.00 H new ATOM 0 HA SER A 27 -2.240 -8.941 11.039 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.517 -10.924 10.269 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.861 -10.130 8.745 1.00 0.00 H new ATOM 0 HG SER A 27 -1.514 -10.005 8.426 1.00 0.00 H new ATOM 414 N PRO A 28 -2.328 -6.565 9.627 1.00 0.00 N ATOM 415 CA PRO A 28 -1.817 -5.483 8.781 1.00 0.00 C ATOM 416 C PRO A 28 -0.312 -5.587 8.553 1.00 0.00 C ATOM 417 O PRO A 28 0.333 -6.524 9.022 1.00 0.00 O ATOM 418 CB PRO A 28 -2.151 -4.220 9.578 1.00 0.00 C ATOM 419 CG PRO A 28 -2.222 -4.675 10.995 1.00 0.00 C ATOM 420 CD PRO A 28 -2.751 -6.082 10.952 1.00 0.00 C ATOM 0 HA PRO A 28 -2.258 -5.503 7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.386 -3.454 9.446 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.097 -3.786 9.254 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.239 -4.642 11.465 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.877 -4.029 11.580 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.335 -6.692 11.754 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.835 -6.107 11.062 1.00 0.00 H new ATOM 428 N VAL A 29 0.240 -4.618 7.831 1.00 0.00 N ATOM 429 CA VAL A 29 1.670 -4.599 7.542 1.00 0.00 C ATOM 430 C VAL A 29 2.328 -3.346 8.107 1.00 0.00 C ATOM 431 O VAL A 29 1.879 -2.228 7.855 1.00 0.00 O ATOM 432 CB VAL A 29 1.937 -4.668 6.027 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.432 -3.410 5.338 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.420 -4.875 5.758 1.00 0.00 C ATOM 0 H VAL A 29 -0.281 -3.835 7.435 1.00 0.00 H new ATOM 0 HA VAL A 29 2.101 -5.479 8.020 1.00 0.00 H new ATOM 0 HB VAL A 29 1.394 -5.520 5.617 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.629 -3.477 4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.359 -3.310 5.504 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.945 -2.540 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.592 -4.922 4.683 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.986 -4.044 6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.747 -5.808 6.218 1.00 0.00 H new ATOM 444 N VAL A 30 3.397 -3.539 8.874 1.00 0.00 N ATOM 445 CA VAL A 30 4.119 -2.424 9.474 1.00 0.00 C ATOM 446 C VAL A 30 5.347 -2.057 8.648 1.00 0.00 C ATOM 447 O VAL A 30 6.381 -2.721 8.723 1.00 0.00 O ATOM 448 CB VAL A 30 4.561 -2.751 10.912 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.055 -1.497 11.617 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.421 -3.394 11.687 1.00 0.00 C ATOM 0 H VAL A 30 3.782 -4.458 9.094 1.00 0.00 H new ATOM 0 HA VAL A 30 3.433 -1.577 9.496 1.00 0.00 H new ATOM 0 HB VAL A 30 5.386 -3.462 10.867 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.363 -1.748 12.632 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.904 -1.084 11.072 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.253 -0.760 11.653 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.752 -3.618 12.701 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.574 -2.708 11.724 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.119 -4.317 11.191 1.00 0.00 H new ATOM 460 N LEU A 31 5.226 -0.994 7.859 1.00 0.00 N ATOM 461 CA LEU A 31 6.327 -0.536 7.018 1.00 0.00 C ATOM 462 C LEU A 31 7.121 0.566 7.712 1.00 0.00 C ATOM 463 O LEU A 31 6.590 1.339 8.511 1.00 0.00 O ATOM 464 CB LEU A 31 5.793 -0.029 5.678 1.00 0.00 C ATOM 465 CG LEU A 31 5.125 -1.073 4.782 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.575 -0.423 3.522 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.108 -2.179 4.429 1.00 0.00 C ATOM 0 H LEU A 31 4.377 -0.434 7.784 1.00 0.00 H new ATOM 0 HA LEU A 31 6.993 -1.381 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.073 0.766 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.620 0.418 5.126 1.00 0.00 H new ATOM 0 HG LEU A 31 4.293 -1.515 5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.104 -1.182 2.897 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.838 0.332 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.389 0.047 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.616 -2.913 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.961 -1.753 3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.453 -2.665 5.342 1.00 0.00 H new ATOM 479 N PRO A 32 8.423 0.643 7.401 1.00 0.00 N ATOM 480 CA PRO A 32 9.317 1.649 7.982 1.00 0.00 C ATOM 481 C PRO A 32 9.013 3.055 7.478 1.00 0.00 C ATOM 482 O PRO A 32 8.912 3.284 6.273 1.00 0.00 O ATOM 483 CB PRO A 32 10.705 1.202 7.515 1.00 0.00 C ATOM 484 CG PRO A 32 10.453 0.428 6.267 1.00 0.00 C ATOM 485 CD PRO A 32 9.123 -0.246 6.458 1.00 0.00 C ATOM 0 HA PRO A 32 9.215 1.708 9.066 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.354 2.057 7.326 1.00 0.00 H new ATOM 0 HB3 PRO A 32 11.198 0.588 8.269 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.436 1.085 5.397 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.241 -0.306 6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.581 -0.340 5.517 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.236 -1.252 6.863 1.00 0.00 H new ATOM 493 N TYR A 33 8.870 3.993 8.407 1.00 0.00 N ATOM 494 CA TYR A 33 8.575 5.378 8.057 1.00 0.00 C ATOM 495 C TYR A 33 9.551 5.893 7.004 1.00 0.00 C ATOM 496 O TYR A 33 9.146 6.339 5.931 1.00 0.00 O ATOM 497 CB TYR A 33 8.635 6.265 9.301 1.00 0.00 C ATOM 498 CG TYR A 33 7.918 7.586 9.138 1.00 0.00 C ATOM 499 CD1 TYR A 33 6.561 7.701 9.417 1.00 0.00 C ATOM 500 CD2 TYR A 33 8.596 8.718 8.705 1.00 0.00 C ATOM 501 CE1 TYR A 33 5.901 8.906 9.269 1.00 0.00 C ATOM 502 CE2 TYR A 33 7.944 9.927 8.556 1.00 0.00 C ATOM 503 CZ TYR A 33 6.597 10.016 8.839 1.00 0.00 C ATOM 504 OH TYR A 33 5.945 11.218 8.689 1.00 0.00 O ATOM 0 H TYR A 33 8.954 3.820 9.409 1.00 0.00 H new ATOM 0 HA TYR A 33 7.568 5.414 7.642 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.199 5.726 10.142 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.679 6.456 9.551 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.013 6.834 9.755 1.00 0.00 H new ATOM 0 HD2 TYR A 33 9.650 8.652 8.481 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.846 8.978 9.489 1.00 0.00 H new ATOM 0 HE2 TYR A 33 8.486 10.798 8.220 1.00 0.00 H new ATOM 0 HH TYR A 33 6.579 11.898 8.380 1.00 0.00 H new ATOM 514 N SER A 34 10.841 5.826 7.319 1.00 0.00 N ATOM 515 CA SER A 34 11.877 6.287 6.402 1.00 0.00 C ATOM 516 C SER A 34 11.559 5.872 4.969 1.00 0.00 C ATOM 517 O SER A 34 11.923 6.562 4.016 1.00 0.00 O ATOM 518 CB SER A 34 13.240 5.729 6.817 1.00 0.00 C ATOM 519 OG SER A 34 14.215 5.970 5.817 1.00 0.00 O ATOM 0 H SER A 34 11.193 5.457 8.202 1.00 0.00 H new ATOM 0 HA SER A 34 11.909 7.376 6.447 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.554 6.188 7.754 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.158 4.657 6.999 1.00 0.00 H new ATOM 0 HG SER A 34 15.077 5.605 6.106 1.00 0.00 H new ATOM 525 N ARG A 35 10.877 4.741 4.825 1.00 0.00 N ATOM 526 CA ARG A 35 10.510 4.232 3.509 1.00 0.00 C ATOM 527 C ARG A 35 9.037 3.837 3.470 1.00 0.00 C ATOM 528 O ARG A 35 8.668 2.731 3.868 1.00 0.00 O ATOM 529 CB ARG A 35 11.382 3.030 3.142 1.00 0.00 C ATOM 530 CG ARG A 35 12.806 3.402 2.764 1.00 0.00 C ATOM 531 CD ARG A 35 12.934 3.667 1.272 1.00 0.00 C ATOM 532 NE ARG A 35 13.123 2.434 0.512 1.00 0.00 N ATOM 533 CZ ARG A 35 14.213 1.678 0.596 1.00 0.00 C ATOM 534 NH1 ARG A 35 15.205 2.028 1.403 1.00 0.00 N ATOM 535 NH2 ARG A 35 14.311 0.570 -0.128 1.00 0.00 N ATOM 0 H ARG A 35 10.567 4.159 5.604 1.00 0.00 H new ATOM 0 HA ARG A 35 10.674 5.027 2.781 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.408 2.340 3.985 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.921 2.499 2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.112 4.288 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.482 2.597 3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.040 4.179 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 35 13.776 4.336 1.093 1.00 0.00 H new ATOM 0 HE ARG A 35 12.378 2.137 -0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.133 2.879 1.961 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.041 1.446 1.466 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.549 0.298 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.148 -0.009 -0.063 1.00 0.00 H new ATOM 549 N THR A 36 8.197 4.749 2.989 1.00 0.00 N ATOM 550 CA THR A 36 6.765 4.497 2.899 1.00 0.00 C ATOM 551 C THR A 36 6.225 4.872 1.524 1.00 0.00 C ATOM 552 O THR A 36 6.206 6.046 1.151 1.00 0.00 O ATOM 553 CB THR A 36 5.988 5.281 3.974 1.00 0.00 C ATOM 554 OG1 THR A 36 6.538 6.595 4.114 1.00 0.00 O ATOM 555 CG2 THR A 36 6.039 4.559 5.312 1.00 0.00 C ATOM 0 H THR A 36 8.485 5.669 2.656 1.00 0.00 H new ATOM 0 HA THR A 36 6.622 3.429 3.063 1.00 0.00 H new ATOM 0 HB THR A 36 4.947 5.355 3.658 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.344 6.555 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.484 5.131 6.055 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.594 3.569 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.076 4.458 5.632 1.00 0.00 H new ATOM 563 N THR A 37 5.786 3.868 0.771 1.00 0.00 N ATOM 564 CA THR A 37 5.246 4.093 -0.564 1.00 0.00 C ATOM 565 C THR A 37 4.542 2.847 -1.089 1.00 0.00 C ATOM 566 O THR A 37 4.894 1.724 -0.728 1.00 0.00 O ATOM 567 CB THR A 37 6.352 4.500 -1.556 1.00 0.00 C ATOM 568 OG1 THR A 37 7.597 3.906 -1.172 1.00 0.00 O ATOM 569 CG2 THR A 37 6.501 6.014 -1.608 1.00 0.00 C ATOM 0 H THR A 37 5.794 2.891 1.063 1.00 0.00 H new ATOM 0 HA THR A 37 4.525 4.907 -0.481 1.00 0.00 H new ATOM 0 HB THR A 37 6.071 4.144 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.295 4.168 -1.808 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.288 6.278 -2.315 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.560 6.461 -1.928 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.762 6.388 -0.618 1.00 0.00 H new ATOM 577 N VAL A 38 3.546 3.052 -1.945 1.00 0.00 N ATOM 578 CA VAL A 38 2.793 1.945 -2.522 1.00 0.00 C ATOM 579 C VAL A 38 3.727 0.856 -3.039 1.00 0.00 C ATOM 580 O VAL A 38 3.436 -0.333 -2.918 1.00 0.00 O ATOM 581 CB VAL A 38 1.890 2.421 -3.675 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.053 1.268 -4.208 1.00 0.00 C ATOM 583 CG2 VAL A 38 1.002 3.568 -3.217 1.00 0.00 C ATOM 0 H VAL A 38 3.242 3.975 -2.254 1.00 0.00 H new ATOM 0 HA VAL A 38 2.169 1.538 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 38 2.524 2.783 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.421 1.623 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.711 0.481 -4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.426 0.873 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.371 3.892 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.374 3.235 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.624 4.400 -2.888 1.00 0.00 H new ATOM 593 N GLU A 39 4.851 1.272 -3.615 1.00 0.00 N ATOM 594 CA GLU A 39 5.827 0.331 -4.150 1.00 0.00 C ATOM 595 C GLU A 39 6.511 -0.443 -3.026 1.00 0.00 C ATOM 596 O GLU A 39 6.924 -1.588 -3.209 1.00 0.00 O ATOM 597 CB GLU A 39 6.875 1.069 -4.986 1.00 0.00 C ATOM 598 CG GLU A 39 7.677 2.089 -4.194 1.00 0.00 C ATOM 599 CD GLU A 39 8.894 2.586 -4.949 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.726 3.418 -5.865 1.00 0.00 O ATOM 601 OE2 GLU A 39 10.016 2.144 -4.622 1.00 0.00 O ATOM 0 H GLU A 39 5.107 2.253 -3.723 1.00 0.00 H new ATOM 0 HA GLU A 39 5.298 -0.378 -4.786 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.559 0.341 -5.422 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.377 1.574 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.037 2.936 -3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.995 1.643 -3.252 1.00 0.00 H new ATOM 608 N ASP A 40 6.626 0.191 -1.865 1.00 0.00 N ATOM 609 CA ASP A 40 7.258 -0.437 -0.710 1.00 0.00 C ATOM 610 C ASP A 40 6.426 -1.612 -0.207 1.00 0.00 C ATOM 611 O ASP A 40 6.964 -2.589 0.313 1.00 0.00 O ATOM 612 CB ASP A 40 7.450 0.585 0.411 1.00 0.00 C ATOM 613 CG ASP A 40 8.033 -0.035 1.666 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.735 -1.061 1.549 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.787 0.506 2.765 1.00 0.00 O ATOM 0 H ASP A 40 6.290 1.139 -1.698 1.00 0.00 H new ATOM 0 HA ASP A 40 8.233 -0.812 -1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.108 1.382 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.490 1.044 0.648 1.00 0.00 H new ATOM 620 N PHE A 41 5.111 -1.510 -0.365 1.00 0.00 N ATOM 621 CA PHE A 41 4.204 -2.564 0.075 1.00 0.00 C ATOM 622 C PHE A 41 4.177 -3.712 -0.929 1.00 0.00 C ATOM 623 O PHE A 41 4.418 -4.867 -0.574 1.00 0.00 O ATOM 624 CB PHE A 41 2.792 -2.004 0.265 1.00 0.00 C ATOM 625 CG PHE A 41 1.767 -3.057 0.577 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.405 -3.994 -0.377 1.00 0.00 C ATOM 627 CD2 PHE A 41 1.165 -3.109 1.824 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.463 -4.965 -0.093 1.00 0.00 C ATOM 629 CE2 PHE A 41 0.223 -4.077 2.114 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.130 -5.005 1.154 1.00 0.00 C ATOM 0 H PHE A 41 4.649 -0.708 -0.794 1.00 0.00 H new ATOM 0 HA PHE A 41 4.567 -2.947 1.029 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.806 -1.271 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.494 -1.475 -0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.864 -3.966 -1.354 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.435 -2.384 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.191 -5.691 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.237 -4.108 3.091 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.868 -5.761 1.378 1.00 0.00 H new ATOM 640 N CYS A 42 3.882 -3.387 -2.183 1.00 0.00 N ATOM 641 CA CYS A 42 3.822 -4.391 -3.239 1.00 0.00 C ATOM 642 C CYS A 42 4.931 -5.425 -3.071 1.00 0.00 C ATOM 643 O CYS A 42 4.758 -6.596 -3.407 1.00 0.00 O ATOM 644 CB CYS A 42 3.933 -3.725 -4.612 1.00 0.00 C ATOM 645 SG CYS A 42 2.497 -2.722 -5.063 1.00 0.00 S ATOM 0 H CYS A 42 3.681 -2.436 -2.493 1.00 0.00 H new ATOM 0 HA CYS A 42 2.861 -4.901 -3.167 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.822 -3.095 -4.628 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.076 -4.497 -5.368 1.00 0.00 H new ATOM 0 HG CYS A 42 2.508 -1.616 -4.380 1.00 0.00 H new ATOM 651 N MET A 43 6.071 -4.982 -2.550 1.00 0.00 N ATOM 652 CA MET A 43 7.209 -5.869 -2.338 1.00 0.00 C ATOM 653 C MET A 43 6.930 -6.850 -1.203 1.00 0.00 C ATOM 654 O MET A 43 7.224 -8.040 -1.311 1.00 0.00 O ATOM 655 CB MET A 43 8.466 -5.055 -2.026 1.00 0.00 C ATOM 656 CG MET A 43 8.973 -4.243 -3.207 1.00 0.00 C ATOM 657 SD MET A 43 9.235 -5.250 -4.680 1.00 0.00 S ATOM 658 CE MET A 43 7.964 -4.603 -5.763 1.00 0.00 C ATOM 0 H MET A 43 6.231 -4.015 -2.267 1.00 0.00 H new ATOM 0 HA MET A 43 7.371 -6.437 -3.254 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.256 -4.381 -1.196 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.254 -5.731 -1.696 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.257 -3.453 -3.434 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.909 -3.756 -2.933 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.553 -5.413 -6.366 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.169 -4.156 -5.165 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.395 -3.846 -6.418 1.00 0.00 H new ATOM 668 N LYS A 44 6.360 -6.342 -0.115 1.00 0.00 N ATOM 669 CA LYS A 44 6.039 -7.173 1.040 1.00 0.00 C ATOM 670 C LYS A 44 5.197 -8.376 0.628 1.00 0.00 C ATOM 671 O LYS A 44 5.273 -9.439 1.244 1.00 0.00 O ATOM 672 CB LYS A 44 5.294 -6.351 2.094 1.00 0.00 C ATOM 673 CG LYS A 44 6.201 -5.459 2.923 1.00 0.00 C ATOM 674 CD LYS A 44 6.991 -6.261 3.944 1.00 0.00 C ATOM 675 CE LYS A 44 6.139 -6.618 5.152 1.00 0.00 C ATOM 676 NZ LYS A 44 6.888 -7.450 6.133 1.00 0.00 N ATOM 0 H LYS A 44 6.111 -5.359 -0.009 1.00 0.00 H new ATOM 0 HA LYS A 44 6.974 -7.536 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.545 -5.733 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.758 -7.028 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.889 -4.927 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.602 -4.706 3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.367 -7.173 3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.859 -5.686 4.267 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.797 -5.704 5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.250 -7.156 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.273 -7.672 6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.193 -8.334 5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.722 -6.927 6.467 1.00 0.00 H new ATOM 690 N ILE A 45 4.395 -8.200 -0.417 1.00 0.00 N ATOM 691 CA ILE A 45 3.541 -9.273 -0.912 1.00 0.00 C ATOM 692 C ILE A 45 4.259 -10.104 -1.970 1.00 0.00 C ATOM 693 O ILE A 45 4.510 -11.294 -1.774 1.00 0.00 O ATOM 694 CB ILE A 45 2.233 -8.720 -1.510 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.490 -7.875 -0.474 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.353 -9.859 -2.002 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.527 -8.458 0.921 1.00 0.00 C ATOM 0 H ILE A 45 4.319 -7.326 -0.937 1.00 0.00 H new ATOM 0 HA ILE A 45 3.302 -9.906 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 45 2.480 -8.084 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.925 -6.876 -0.453 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.451 -7.764 -0.785 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.433 -9.453 -2.422 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.883 -10.423 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.111 -10.518 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.980 -7.806 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.065 -9.445 0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.562 -8.543 1.252 1.00 0.00 H new ATOM 709 N HIS A 46 4.588 -9.470 -3.090 1.00 0.00 N ATOM 710 CA HIS A 46 5.281 -10.151 -4.179 1.00 0.00 C ATOM 711 C HIS A 46 6.113 -9.165 -4.994 1.00 0.00 C ATOM 712 O HIS A 46 5.596 -8.168 -5.499 1.00 0.00 O ATOM 713 CB HIS A 46 4.275 -10.859 -5.087 1.00 0.00 C ATOM 714 CG HIS A 46 4.822 -12.090 -5.741 1.00 0.00 C ATOM 715 ND1 HIS A 46 6.134 -12.205 -6.151 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.228 -13.265 -6.054 1.00 0.00 C ATOM 717 CE1 HIS A 46 6.322 -13.397 -6.689 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.181 -14.060 -6.643 1.00 0.00 N ATOM 0 H HIS A 46 4.386 -8.486 -3.268 1.00 0.00 H new ATOM 0 HA HIS A 46 5.951 -10.892 -3.744 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.396 -11.129 -4.501 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.943 -10.165 -5.859 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.196 -13.529 -5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.251 -13.766 -7.097 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.032 -15.008 -6.989 1.00 0.00 H new ATOM 727 N LYS A 47 7.405 -9.450 -5.117 1.00 0.00 N ATOM 728 CA LYS A 47 8.310 -8.590 -5.870 1.00 0.00 C ATOM 729 C LYS A 47 7.810 -8.392 -7.298 1.00 0.00 C ATOM 730 O LYS A 47 8.051 -7.354 -7.911 1.00 0.00 O ATOM 731 CB LYS A 47 9.718 -9.190 -5.890 1.00 0.00 C ATOM 732 CG LYS A 47 9.817 -10.485 -6.679 1.00 0.00 C ATOM 733 CD LYS A 47 10.142 -10.224 -8.140 1.00 0.00 C ATOM 734 CE LYS A 47 11.644 -10.151 -8.372 1.00 0.00 C ATOM 735 NZ LYS A 47 12.291 -11.486 -8.243 1.00 0.00 N ATOM 0 H LYS A 47 7.849 -10.270 -4.705 1.00 0.00 H new ATOM 0 HA LYS A 47 8.343 -7.618 -5.377 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.408 -8.462 -6.316 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.040 -9.373 -4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.587 -11.121 -6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.875 -11.029 -6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.716 -11.016 -8.756 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.678 -9.290 -8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.839 -9.748 -9.366 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.089 -9.461 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.221 -11.468 -8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.413 -11.717 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.692 -12.207 -8.693 1.00 0.00 H new ATOM 749 N ASN A 48 7.112 -9.396 -7.820 1.00 0.00 N ATOM 750 CA ASN A 48 6.578 -9.331 -9.175 1.00 0.00 C ATOM 751 C ASN A 48 5.193 -8.690 -9.184 1.00 0.00 C ATOM 752 O ASN A 48 4.458 -8.787 -10.168 1.00 0.00 O ATOM 753 CB ASN A 48 6.508 -10.732 -9.786 1.00 0.00 C ATOM 754 CG ASN A 48 5.216 -11.448 -9.444 1.00 0.00 C ATOM 755 OD1 ASN A 48 4.701 -12.237 -10.236 1.00 0.00 O ATOM 756 ND2 ASN A 48 4.685 -11.175 -8.257 1.00 0.00 N ATOM 0 H ASN A 48 6.903 -10.263 -7.325 1.00 0.00 H new ATOM 0 HA ASN A 48 7.248 -8.714 -9.774 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.603 -10.658 -10.869 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.352 -11.323 -9.431 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.816 -11.626 -7.971 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.146 -10.514 -7.632 1.00 0.00 H new ATOM 763 N LEU A 49 4.843 -8.036 -8.082 1.00 0.00 N ATOM 764 CA LEU A 49 3.547 -7.378 -7.962 1.00 0.00 C ATOM 765 C LEU A 49 3.573 -5.999 -8.613 1.00 0.00 C ATOM 766 O LEU A 49 2.754 -5.695 -9.481 1.00 0.00 O ATOM 767 CB LEU A 49 3.152 -7.252 -6.490 1.00 0.00 C ATOM 768 CG LEU A 49 1.839 -6.520 -6.208 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.709 -7.113 -7.034 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.505 -6.577 -4.724 1.00 0.00 C ATOM 0 H LEU A 49 5.439 -7.947 -7.259 1.00 0.00 H new ATOM 0 HA LEU A 49 2.808 -7.989 -8.480 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.085 -8.254 -6.065 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.954 -6.735 -5.962 1.00 0.00 H new ATOM 0 HG LEU A 49 1.959 -5.475 -6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.217 -6.579 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.945 -7.019 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.588 -8.166 -6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.568 -6.051 -4.542 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.404 -7.617 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.304 -6.104 -4.153 1.00 0.00 H new ATOM 782 N ILE A 50 4.521 -5.169 -8.191 1.00 0.00 N ATOM 783 CA ILE A 50 4.656 -3.824 -8.736 1.00 0.00 C ATOM 784 C ILE A 50 4.516 -3.829 -10.254 1.00 0.00 C ATOM 785 O ILE A 50 4.135 -2.825 -10.857 1.00 0.00 O ATOM 786 CB ILE A 50 6.012 -3.197 -8.359 1.00 0.00 C ATOM 787 CG1 ILE A 50 6.034 -1.714 -8.733 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.148 -3.940 -9.046 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.310 -0.829 -7.743 1.00 0.00 C ATOM 0 H ILE A 50 5.207 -5.404 -7.474 1.00 0.00 H new ATOM 0 HA ILE A 50 3.855 -3.226 -8.302 1.00 0.00 H new ATOM 0 HB ILE A 50 6.148 -3.282 -7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.070 -1.384 -8.813 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.582 -1.589 -9.717 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.099 -3.485 -8.770 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.141 -4.984 -8.734 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.019 -3.883 -10.127 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.367 0.208 -8.073 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.265 -1.133 -7.680 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.776 -0.924 -6.762 1.00 0.00 H new ATOM 801 N LYS A 51 4.824 -4.966 -10.867 1.00 0.00 N ATOM 802 CA LYS A 51 4.729 -5.105 -12.316 1.00 0.00 C ATOM 803 C LYS A 51 3.273 -5.184 -12.761 1.00 0.00 C ATOM 804 O LYS A 51 2.895 -4.608 -13.781 1.00 0.00 O ATOM 805 CB LYS A 51 5.483 -6.354 -12.779 1.00 0.00 C ATOM 806 CG LYS A 51 6.989 -6.256 -12.602 1.00 0.00 C ATOM 807 CD LYS A 51 7.719 -7.269 -13.467 1.00 0.00 C ATOM 808 CE LYS A 51 9.094 -6.764 -13.876 1.00 0.00 C ATOM 809 NZ LYS A 51 9.034 -5.922 -15.102 1.00 0.00 N ATOM 0 H LYS A 51 5.142 -5.806 -10.383 1.00 0.00 H new ATOM 0 HA LYS A 51 5.182 -4.224 -12.771 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.116 -7.217 -12.223 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.260 -6.534 -13.831 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.322 -5.250 -12.859 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.245 -6.419 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.822 -8.207 -12.922 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.128 -7.481 -14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.526 -6.186 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.755 -7.613 -14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.991 -5.598 -15.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.645 -6.481 -15.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.423 -5.098 -14.928 1.00 0.00 H new ATOM 823 N GLU A 52 2.460 -5.898 -11.989 1.00 0.00 N ATOM 824 CA GLU A 52 1.044 -6.050 -12.305 1.00 0.00 C ATOM 825 C GLU A 52 0.217 -4.957 -11.633 1.00 0.00 C ATOM 826 O GLU A 52 -0.953 -4.760 -11.961 1.00 0.00 O ATOM 827 CB GLU A 52 0.546 -7.427 -11.863 1.00 0.00 C ATOM 828 CG GLU A 52 1.471 -8.565 -12.258 1.00 0.00 C ATOM 829 CD GLU A 52 1.371 -8.915 -13.730 1.00 0.00 C ATOM 830 OE1 GLU A 52 0.390 -9.587 -14.114 1.00 0.00 O ATOM 831 OE2 GLU A 52 2.271 -8.517 -14.498 1.00 0.00 O ATOM 0 H GLU A 52 2.757 -6.380 -11.141 1.00 0.00 H new ATOM 0 HA GLU A 52 0.926 -5.959 -13.385 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.423 -7.429 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.439 -7.604 -12.296 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.499 -8.290 -12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.232 -9.446 -11.662 1.00 0.00 H new ATOM 838 N PHE A 53 0.833 -4.251 -10.691 1.00 0.00 N ATOM 839 CA PHE A 53 0.154 -3.180 -9.971 1.00 0.00 C ATOM 840 C PHE A 53 -0.300 -2.083 -10.930 1.00 0.00 C ATOM 841 O PHE A 53 0.517 -1.449 -11.598 1.00 0.00 O ATOM 842 CB PHE A 53 1.077 -2.589 -8.903 1.00 0.00 C ATOM 843 CG PHE A 53 0.589 -1.283 -8.346 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.335 -1.256 -7.315 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.056 -0.081 -8.854 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.786 -0.055 -6.799 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.609 1.123 -8.343 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.313 1.136 -7.315 1.00 0.00 C ATOM 0 H PHE A 53 1.801 -4.401 -10.408 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.726 -3.603 -9.487 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.183 -3.306 -8.088 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.069 -2.444 -9.331 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.708 -2.185 -6.909 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.777 -0.085 -9.658 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.506 -0.048 -5.994 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.981 2.053 -8.747 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.664 2.076 -6.915 1.00 0.00 H new ATOM 858 N LYS A 54 -1.609 -1.866 -10.994 1.00 0.00 N ATOM 859 CA LYS A 54 -2.174 -0.846 -11.869 1.00 0.00 C ATOM 860 C LYS A 54 -2.437 0.446 -11.102 1.00 0.00 C ATOM 861 O LYS A 54 -2.050 1.529 -11.540 1.00 0.00 O ATOM 862 CB LYS A 54 -3.474 -1.350 -12.501 1.00 0.00 C ATOM 863 CG LYS A 54 -3.879 -0.588 -13.750 1.00 0.00 C ATOM 864 CD LYS A 54 -5.132 -1.174 -14.380 1.00 0.00 C ATOM 865 CE LYS A 54 -5.907 -0.124 -15.160 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.465 -0.050 -16.580 1.00 0.00 N ATOM 0 H LYS A 54 -2.299 -2.383 -10.450 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.450 -0.638 -12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.362 -2.405 -12.750 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.276 -1.279 -11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.052 0.458 -13.499 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.063 -0.611 -14.472 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.857 -1.993 -15.045 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.769 -1.595 -13.602 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.971 -0.356 -15.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.776 0.850 -14.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.017 0.677 -17.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.455 0.196 -16.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.614 -0.972 -17.038 1.00 0.00 H new ATOM 880 N TYR A 55 -3.096 0.323 -9.955 1.00 0.00 N ATOM 881 CA TYR A 55 -3.411 1.481 -9.127 1.00 0.00 C ATOM 882 C TYR A 55 -3.796 1.052 -7.714 1.00 0.00 C ATOM 883 O TYR A 55 -3.921 -0.138 -7.427 1.00 0.00 O ATOM 884 CB TYR A 55 -4.548 2.289 -9.754 1.00 0.00 C ATOM 885 CG TYR A 55 -5.827 1.501 -9.927 1.00 0.00 C ATOM 886 CD1 TYR A 55 -5.992 0.632 -10.998 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.870 1.626 -9.017 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.159 -0.089 -11.159 1.00 0.00 C ATOM 889 CE2 TYR A 55 -8.040 0.907 -9.170 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.180 0.052 -10.243 1.00 0.00 C ATOM 891 OH TYR A 55 -9.344 -0.666 -10.399 1.00 0.00 O ATOM 0 H TYR A 55 -3.422 -0.567 -9.578 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.520 2.106 -9.068 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.750 3.161 -9.131 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.225 2.660 -10.727 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.194 0.518 -11.717 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.764 2.296 -8.177 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.271 -0.760 -11.998 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.841 1.014 -8.453 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.961 -0.452 -9.668 1.00 0.00 H new ATOM 901 N ALA A 56 -3.982 2.032 -6.836 1.00 0.00 N ATOM 902 CA ALA A 56 -4.355 1.758 -5.454 1.00 0.00 C ATOM 903 C ALA A 56 -5.433 2.724 -4.974 1.00 0.00 C ATOM 904 O ALA A 56 -5.348 3.931 -5.207 1.00 0.00 O ATOM 905 CB ALA A 56 -3.133 1.838 -4.551 1.00 0.00 C ATOM 0 H ALA A 56 -3.880 3.023 -7.057 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.762 0.748 -5.408 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.427 1.631 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.395 1.103 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.701 2.837 -4.611 1.00 0.00 H new ATOM 911 N LEU A 57 -6.447 2.187 -4.305 1.00 0.00 N ATOM 912 CA LEU A 57 -7.543 3.002 -3.793 1.00 0.00 C ATOM 913 C LEU A 57 -7.369 3.275 -2.302 1.00 0.00 C ATOM 914 O LEU A 57 -7.831 2.503 -1.461 1.00 0.00 O ATOM 915 CB LEU A 57 -8.882 2.307 -4.043 1.00 0.00 C ATOM 916 CG LEU A 57 -9.220 2.005 -5.503 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.390 1.037 -5.592 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.531 3.291 -6.255 1.00 0.00 C ATOM 0 H LEU A 57 -6.533 1.191 -4.104 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.531 3.955 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.891 1.369 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.675 2.930 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.352 1.536 -5.967 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.616 0.834 -6.639 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.130 0.105 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.264 1.477 -5.111 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.769 3.057 -7.293 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.383 3.788 -5.790 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.664 3.951 -6.222 1.00 0.00 H new ATOM 930 N VAL A 58 -6.701 4.378 -1.981 1.00 0.00 N ATOM 931 CA VAL A 58 -6.469 4.755 -0.592 1.00 0.00 C ATOM 932 C VAL A 58 -7.729 5.340 0.037 1.00 0.00 C ATOM 933 O VAL A 58 -8.455 6.103 -0.599 1.00 0.00 O ATOM 934 CB VAL A 58 -5.325 5.780 -0.472 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.065 6.121 0.988 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.064 5.250 -1.137 1.00 0.00 C ATOM 0 H VAL A 58 -6.311 5.027 -2.665 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.190 3.846 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.623 6.694 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.254 6.846 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.967 6.545 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.787 5.216 1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.266 5.987 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.760 4.322 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.261 5.061 -2.192 1.00 0.00 H new ATOM 946 N TRP A 59 -7.981 4.977 1.289 1.00 0.00 N ATOM 947 CA TRP A 59 -9.154 5.466 2.005 1.00 0.00 C ATOM 948 C TRP A 59 -8.754 6.110 3.328 1.00 0.00 C ATOM 949 O TRP A 59 -8.641 5.434 4.350 1.00 0.00 O ATOM 950 CB TRP A 59 -10.137 4.322 2.257 1.00 0.00 C ATOM 951 CG TRP A 59 -10.858 3.876 1.022 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.903 4.507 0.409 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.589 2.700 0.250 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.299 3.795 -0.697 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.509 2.683 -0.817 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.660 1.662 0.355 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.525 1.667 -1.769 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.677 0.655 -0.591 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.603 0.663 -1.642 1.00 0.00 C ATOM 0 H TRP A 59 -7.389 4.346 1.830 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.638 6.221 1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.597 3.475 2.680 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.868 4.638 3.002 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.352 5.430 0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.059 4.053 -1.327 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.941 1.647 1.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.239 1.671 -2.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.964 -0.153 -0.519 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.589 -0.138 -2.366 1.00 0.00 H new ATOM 970 N GLY A 60 -8.542 7.423 3.303 1.00 0.00 N ATOM 971 CA GLY A 60 -8.158 8.136 4.507 1.00 0.00 C ATOM 972 C GLY A 60 -7.739 9.565 4.226 1.00 0.00 C ATOM 973 O GLY A 60 -7.721 9.999 3.073 1.00 0.00 O ATOM 0 H GLY A 60 -8.630 8.005 2.470 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.993 8.137 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.336 7.608 4.992 1.00 0.00 H new ATOM 977 N LEU A 61 -7.402 10.299 5.280 1.00 0.00 N ATOM 978 CA LEU A 61 -6.983 11.690 5.142 1.00 0.00 C ATOM 979 C LEU A 61 -5.911 11.831 4.066 1.00 0.00 C ATOM 980 O LEU A 61 -5.788 12.879 3.432 1.00 0.00 O ATOM 981 CB LEU A 61 -6.455 12.219 6.476 1.00 0.00 C ATOM 982 CG LEU A 61 -7.252 11.820 7.719 1.00 0.00 C ATOM 983 CD1 LEU A 61 -8.733 11.715 7.393 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.734 10.506 8.285 1.00 0.00 C ATOM 0 H LEU A 61 -7.410 9.955 6.240 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.851 12.277 4.844 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.429 11.873 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.421 13.307 6.425 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.122 12.595 8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.284 11.430 8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.096 12.678 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -8.883 10.961 6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.312 10.237 9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.833 9.722 7.534 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.684 10.616 8.558 1.00 0.00 H new ATOM 996 N SER A 62 -5.139 10.768 3.864 1.00 0.00 N ATOM 997 CA SER A 62 -4.076 10.773 2.866 1.00 0.00 C ATOM 998 C SER A 62 -4.560 11.400 1.561 1.00 0.00 C ATOM 999 O SER A 62 -3.785 12.022 0.834 1.00 0.00 O ATOM 1000 CB SER A 62 -3.583 9.349 2.608 1.00 0.00 C ATOM 1001 OG SER A 62 -2.251 9.350 2.122 1.00 0.00 O ATOM 0 H SER A 62 -5.230 9.892 4.379 1.00 0.00 H new ATOM 0 HA SER A 62 -3.251 11.371 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.637 8.770 3.530 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.237 8.860 1.886 1.00 0.00 H new ATOM 0 HG SER A 62 -1.959 8.428 1.966 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.846 11.232 1.272 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.435 11.782 0.057 1.00 0.00 C ATOM 1009 C VAL A 63 -7.685 12.596 0.371 1.00 0.00 C ATOM 1010 O VAL A 63 -8.512 12.194 1.189 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.799 10.668 -0.943 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.546 9.956 -1.430 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.771 9.683 -0.313 1.00 0.00 C ATOM 0 H VAL A 63 -6.500 10.719 1.863 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.685 12.433 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.287 11.123 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.824 9.173 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.889 10.672 -1.923 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.026 9.512 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.017 8.903 -1.034 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.313 9.232 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.681 10.207 -0.020 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.816 13.744 -0.285 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.966 14.616 -0.078 1.00 0.00 C ATOM 1025 C LYS A 64 -10.271 13.862 -0.316 1.00 0.00 C ATOM 1026 O LYS A 64 -11.191 13.921 0.501 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.888 15.828 -1.010 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.765 16.790 -0.664 1.00 0.00 C ATOM 1029 CD LYS A 64 -8.149 17.703 0.489 1.00 0.00 C ATOM 1030 CE LYS A 64 -7.049 18.709 0.793 1.00 0.00 C ATOM 1031 NZ LYS A 64 -7.309 19.448 2.059 1.00 0.00 N ATOM 0 H LYS A 64 -7.140 14.092 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.948 14.959 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.754 15.480 -2.034 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.837 16.363 -0.976 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.870 16.226 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.517 17.391 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -9.070 18.232 0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.352 17.104 1.377 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.093 18.191 0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.967 19.418 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.537 20.124 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.209 19.963 1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.362 18.774 2.850 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.344 13.154 -1.438 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.535 12.386 -1.782 1.00 0.00 C ATOM 1047 C HIS A 65 -11.233 10.891 -1.798 1.00 0.00 C ATOM 1048 O HIS A 65 -10.097 10.481 -2.035 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.074 12.824 -3.144 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.234 14.308 -3.276 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -11.840 15.010 -4.395 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.751 15.222 -2.423 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -12.106 16.293 -4.223 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.660 16.448 -3.034 1.00 0.00 N ATOM 0 H HIS A 65 -9.592 13.096 -2.125 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.292 12.577 -1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.400 12.469 -3.924 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.039 12.346 -3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.160 15.024 -1.443 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.905 17.081 -4.934 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.970 17.334 -2.635 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.256 10.082 -1.544 1.00 0.00 N ATOM 1064 CA ASN A 66 -12.099 8.633 -1.528 1.00 0.00 C ATOM 1065 C ASN A 66 -13.356 7.943 -2.050 1.00 0.00 C ATOM 1066 O ASN A 66 -14.480 8.385 -1.812 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.789 8.148 -0.110 1.00 0.00 C ATOM 1068 CG ASN A 66 -10.757 9.015 0.585 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -9.698 8.535 0.990 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -11.062 10.300 0.725 1.00 0.00 N ATOM 0 H ASN A 66 -13.203 10.406 -1.346 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.267 8.376 -2.183 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.707 8.140 0.477 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -11.428 7.120 -0.151 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.407 10.933 1.184 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.952 10.654 0.374 1.00 0.00 H new ATOM 1077 N PRO A 67 -13.164 6.833 -2.778 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.830 6.298 -3.068 1.00 0.00 C ATOM 1079 C PRO A 67 -11.047 7.184 -4.031 1.00 0.00 C ATOM 1080 O PRO A 67 -11.630 7.943 -4.804 1.00 0.00 O ATOM 1081 CB PRO A 67 -12.124 4.940 -3.709 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.489 5.084 -4.291 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.233 6.016 -3.375 1.00 0.00 C ATOM 0 HA PRO A 67 -11.212 6.237 -2.172 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.390 4.697 -4.477 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.091 4.138 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.441 5.487 -5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.990 4.118 -4.356 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.950 6.629 -3.921 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.794 5.471 -2.616 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.722 7.081 -3.978 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.860 7.874 -4.846 1.00 0.00 C ATOM 1093 C GLN A 68 -7.867 6.984 -5.586 1.00 0.00 C ATOM 1094 O GLN A 68 -7.328 6.033 -5.021 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.109 8.928 -4.030 1.00 0.00 C ATOM 1096 CG GLN A 68 -6.953 9.569 -4.781 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.581 10.930 -4.228 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.448 11.761 -3.958 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.286 11.165 -4.055 1.00 0.00 N ATOM 0 H GLN A 68 -9.223 6.457 -3.344 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.489 8.375 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.809 9.706 -3.725 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.728 8.467 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.085 8.912 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.219 9.669 -5.833 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.601 10.447 -4.292 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.976 12.063 -3.685 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.630 7.299 -6.855 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.701 6.529 -7.674 1.00 0.00 C ATOM 1110 C LYS A 69 -5.276 7.051 -7.518 1.00 0.00 C ATOM 1111 O LYS A 69 -4.958 8.156 -7.956 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.118 6.587 -9.146 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.691 5.369 -9.947 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.633 5.109 -11.110 1.00 0.00 C ATOM 1115 CE LYS A 69 -7.121 3.988 -12.002 1.00 0.00 C ATOM 1116 NZ LYS A 69 -6.054 4.459 -12.927 1.00 0.00 N ATOM 0 H LYS A 69 -8.069 8.083 -7.339 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.729 5.494 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.202 6.688 -9.204 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.689 7.480 -9.602 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.679 5.516 -10.323 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.665 4.495 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.621 4.850 -10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.747 6.020 -11.698 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.734 3.179 -11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.948 3.578 -12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.732 3.666 -13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.430 5.213 -13.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.253 4.827 -12.375 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.422 6.248 -6.891 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.031 6.628 -6.679 1.00 0.00 C ATOM 1132 C VAL A 70 -2.089 5.734 -7.477 1.00 0.00 C ATOM 1133 O VAL A 70 -2.482 4.670 -7.954 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.650 6.555 -5.188 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.621 7.369 -4.348 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.609 5.108 -4.720 1.00 0.00 C ATOM 0 H VAL A 70 -4.670 5.330 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.928 7.657 -7.023 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.655 6.982 -5.063 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.336 7.305 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.595 8.410 -4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.630 6.976 -4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.338 5.074 -3.665 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.590 4.653 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.869 4.558 -5.302 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.842 6.174 -7.619 1.00 0.00 N ATOM 1147 CA GLY A 71 0.137 5.401 -8.361 1.00 0.00 C ATOM 1148 C GLY A 71 1.073 4.627 -7.453 1.00 0.00 C ATOM 1149 O GLY A 71 0.752 4.368 -6.293 1.00 0.00 O ATOM 0 H GLY A 71 -0.493 7.051 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.379 4.706 -9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.720 6.070 -8.994 1.00 0.00 H new ATOM 1153 N LYS A 72 2.234 4.255 -7.982 1.00 0.00 N ATOM 1154 CA LYS A 72 3.220 3.506 -7.213 1.00 0.00 C ATOM 1155 C LYS A 72 4.148 4.448 -6.452 1.00 0.00 C ATOM 1156 O LYS A 72 4.916 4.018 -5.592 1.00 0.00 O ATOM 1157 CB LYS A 72 4.039 2.603 -8.138 1.00 0.00 C ATOM 1158 CG LYS A 72 4.796 3.362 -9.214 1.00 0.00 C ATOM 1159 CD LYS A 72 6.168 3.800 -8.728 1.00 0.00 C ATOM 1160 CE LYS A 72 7.147 3.947 -9.882 1.00 0.00 C ATOM 1161 NZ LYS A 72 7.559 2.626 -10.432 1.00 0.00 N ATOM 0 H LYS A 72 2.515 4.460 -8.941 1.00 0.00 H new ATOM 0 HA LYS A 72 2.687 2.888 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.749 2.032 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.372 1.883 -8.613 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.906 2.731 -10.096 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.220 4.236 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.082 4.749 -8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.552 3.071 -8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.690 4.543 -10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.029 4.490 -9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.411 2.744 -11.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.764 1.973 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.790 2.237 -11.015 1.00 0.00 H new ATOM 1175 N ASP A 73 4.069 5.735 -6.774 1.00 0.00 N ATOM 1176 CA ASP A 73 4.900 6.738 -6.119 1.00 0.00 C ATOM 1177 C ASP A 73 4.138 7.421 -4.987 1.00 0.00 C ATOM 1178 O ASP A 73 4.702 8.216 -4.236 1.00 0.00 O ATOM 1179 CB ASP A 73 5.372 7.781 -7.133 1.00 0.00 C ATOM 1180 CG ASP A 73 6.174 8.894 -6.489 1.00 0.00 C ATOM 1181 OD1 ASP A 73 5.556 9.813 -5.910 1.00 0.00 O ATOM 1182 OD2 ASP A 73 7.420 8.847 -6.562 1.00 0.00 O ATOM 0 H ASP A 73 3.438 6.107 -7.484 1.00 0.00 H new ATOM 0 HA ASP A 73 5.769 6.234 -5.696 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.980 7.293 -7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.507 8.208 -7.640 1.00 0.00 H new ATOM 1187 N HIS A 74 2.851 7.105 -4.873 1.00 0.00 N ATOM 1188 CA HIS A 74 2.011 7.688 -3.833 1.00 0.00 C ATOM 1189 C HIS A 74 2.470 7.240 -2.448 1.00 0.00 C ATOM 1190 O HIS A 74 2.560 6.044 -2.169 1.00 0.00 O ATOM 1191 CB HIS A 74 0.549 7.296 -4.050 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.306 7.473 -2.833 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -1.088 8.588 -2.618 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.499 6.668 -1.762 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.725 8.462 -1.468 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.385 7.305 -0.928 1.00 0.00 N ATOM 0 H HIS A 74 2.368 6.449 -5.487 1.00 0.00 H new ATOM 0 HA HIS A 74 2.102 8.773 -3.893 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.138 7.895 -4.863 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.504 6.254 -4.367 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -1.163 9.386 -3.249 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.041 5.704 -1.594 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.408 9.182 -1.042 1.00 0.00 H new ATOM 1205 N THR A 75 2.760 8.207 -1.584 1.00 0.00 N ATOM 1206 CA THR A 75 3.212 7.913 -0.230 1.00 0.00 C ATOM 1207 C THR A 75 2.107 7.250 0.586 1.00 0.00 C ATOM 1208 O THR A 75 0.935 7.609 0.469 1.00 0.00 O ATOM 1209 CB THR A 75 3.676 9.189 0.497 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.737 9.811 -0.235 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.147 8.867 1.907 1.00 0.00 C ATOM 0 H THR A 75 2.690 9.202 -1.798 1.00 0.00 H new ATOM 0 HA THR A 75 4.055 7.228 -0.320 1.00 0.00 H new ATOM 0 HB THR A 75 2.830 9.873 0.561 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.025 10.622 0.233 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.470 9.783 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.328 8.420 2.471 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.981 8.167 1.861 1.00 0.00 H new ATOM 1219 N LEU A 76 2.489 6.282 1.412 1.00 0.00 N ATOM 1220 CA LEU A 76 1.530 5.569 2.249 1.00 0.00 C ATOM 1221 C LEU A 76 1.442 6.200 3.634 1.00 0.00 C ATOM 1222 O LEU A 76 2.435 6.694 4.166 1.00 0.00 O ATOM 1223 CB LEU A 76 1.926 4.096 2.370 1.00 0.00 C ATOM 1224 CG LEU A 76 1.480 3.185 1.227 1.00 0.00 C ATOM 1225 CD1 LEU A 76 2.216 1.855 1.285 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.025 2.965 1.275 1.00 0.00 C ATOM 0 H LEU A 76 3.455 5.973 1.520 1.00 0.00 H new ATOM 0 HA LEU A 76 0.550 5.638 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.011 4.038 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.515 3.705 3.301 1.00 0.00 H new ATOM 0 HG LEU A 76 1.726 3.673 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.885 1.220 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.289 2.029 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.002 1.362 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.324 2.314 0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.295 2.500 2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.536 3.923 1.183 1.00 0.00 H new ATOM 1238 N GLU A 77 0.246 6.177 4.215 1.00 0.00 N ATOM 1239 CA GLU A 77 0.029 6.746 5.540 1.00 0.00 C ATOM 1240 C GLU A 77 -0.450 5.678 6.519 1.00 0.00 C ATOM 1241 O GLU A 77 -1.103 4.710 6.127 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.991 7.884 5.470 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.403 9.199 4.985 1.00 0.00 C ATOM 1244 CD GLU A 77 0.704 9.711 5.886 1.00 0.00 C ATOM 1245 OE1 GLU A 77 1.834 9.188 5.791 1.00 0.00 O ATOM 1246 OE2 GLU A 77 0.440 10.633 6.686 1.00 0.00 O ATOM 0 H GLU A 77 -0.587 5.771 3.789 1.00 0.00 H new ATOM 0 HA GLU A 77 0.980 7.142 5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.804 7.592 4.805 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.426 8.033 6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.013 9.068 3.976 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.194 9.947 4.927 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.120 5.860 7.792 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.517 4.914 8.828 1.00 0.00 C ATOM 1255 C ASP A 78 -2.036 4.797 8.905 1.00 0.00 C ATOM 1256 O ASP A 78 -2.759 5.707 8.500 1.00 0.00 O ATOM 1257 CB ASP A 78 0.042 5.345 10.185 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.612 4.613 11.340 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -0.499 3.371 11.396 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -1.237 5.283 12.189 1.00 0.00 O ATOM 0 H ASP A 78 0.422 6.654 8.132 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.108 3.938 8.568 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.117 5.164 10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.103 6.418 10.310 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.513 3.670 9.425 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.946 3.434 9.551 1.00 0.00 C ATOM 1267 C GLU A 79 -4.676 3.814 8.266 1.00 0.00 C ATOM 1268 O GLU A 79 -5.674 4.533 8.296 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.514 4.230 10.728 1.00 0.00 C ATOM 1270 CG GLU A 79 -4.067 3.714 12.085 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.941 2.586 12.597 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -6.159 2.808 12.762 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -4.408 1.482 12.834 1.00 0.00 O ATOM 0 H GLU A 79 -1.928 2.907 9.765 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.098 2.370 9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.214 5.273 10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.603 4.206 10.680 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.036 3.367 12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.080 4.534 12.803 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.169 3.326 7.139 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.772 3.613 5.843 1.00 0.00 C ATOM 1282 C ASP A 80 -5.006 2.327 5.056 1.00 0.00 C ATOM 1283 O ASP A 80 -4.166 1.427 5.053 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.880 4.562 5.041 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.659 5.358 4.012 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -5.758 4.910 3.624 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.170 6.429 3.595 1.00 0.00 O ATOM 0 H ASP A 80 -3.342 2.730 7.097 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.736 4.092 6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.379 5.248 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.102 3.987 4.539 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.153 2.248 4.389 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.498 1.073 3.598 1.00 0.00 C ATOM 1294 C VAL A 81 -6.148 1.278 2.128 1.00 0.00 C ATOM 1295 O VAL A 81 -6.487 2.303 1.537 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.996 0.736 3.716 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.355 -0.431 2.809 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.361 0.432 5.161 1.00 0.00 C ATOM 0 H VAL A 81 -6.859 2.984 4.381 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.915 0.242 3.995 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.572 1.604 3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.417 -0.654 2.906 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.132 -0.170 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.773 -1.307 3.095 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.423 0.196 5.226 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.778 -0.419 5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.144 1.301 5.782 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.470 0.296 1.545 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.076 0.368 0.143 1.00 0.00 C ATOM 1310 C ILE A 82 -5.570 -0.850 -0.630 1.00 0.00 C ATOM 1311 O ILE A 82 -5.513 -1.976 -0.136 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.547 0.471 -0.007 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.161 0.535 -1.487 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.867 -0.708 0.672 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.712 0.904 -1.718 1.00 0.00 C ATOM 0 H ILE A 82 -5.182 -0.559 2.021 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.535 1.267 -0.268 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.211 1.388 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.359 -0.433 -1.948 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.798 1.264 -1.989 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.787 -0.620 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.120 -0.713 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.207 -1.637 0.214 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.510 0.930 -2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.513 1.885 -1.287 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.068 0.163 -1.245 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.053 -0.616 -1.846 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.556 -1.694 -2.689 1.00 0.00 C ATOM 1329 C GLN A 83 -5.634 -1.930 -3.880 1.00 0.00 C ATOM 1330 O GLN A 83 -5.651 -1.170 -4.849 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.969 -1.371 -3.178 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.798 -2.604 -3.500 1.00 0.00 C ATOM 1333 CD GLN A 83 -8.474 -3.186 -4.861 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -7.323 -3.513 -5.151 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -9.490 -3.319 -5.706 1.00 0.00 N ATOM 0 H GLN A 83 -6.107 0.310 -2.269 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.586 -2.605 -2.091 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.484 -0.786 -2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.902 -0.746 -4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -8.627 -3.362 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -9.856 -2.346 -3.462 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.428 -3.035 -5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -9.332 -3.705 -6.637 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.831 -2.986 -3.801 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.903 -3.321 -4.874 1.00 0.00 C ATOM 1346 C ILE A 84 -4.630 -3.970 -6.047 1.00 0.00 C ATOM 1347 O ILE A 84 -5.148 -5.081 -5.932 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.794 -4.270 -4.383 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.996 -3.615 -3.254 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.877 -4.653 -5.534 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.310 -2.331 -3.665 1.00 0.00 C ATOM 0 H ILE A 84 -4.804 -3.624 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.450 -2.386 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.257 -5.178 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.666 -3.409 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.246 -4.319 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.098 -5.324 -5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.456 -5.155 -6.309 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.418 -3.755 -5.948 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.763 -1.922 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.615 -2.534 -4.480 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.057 -1.610 -3.997 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.663 -3.270 -7.176 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.323 -3.779 -8.372 1.00 0.00 C ATOM 1365 C VAL A 85 -4.305 -4.282 -9.390 1.00 0.00 C ATOM 1366 O VAL A 85 -3.237 -3.693 -9.560 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.201 -2.699 -9.032 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.747 -3.193 -10.363 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.333 -2.292 -8.100 1.00 0.00 C ATOM 0 H VAL A 85 -4.240 -2.348 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.956 -4.608 -8.055 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.584 -1.821 -9.224 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.365 -2.416 -10.814 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.919 -3.431 -11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.350 -4.087 -10.200 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.944 -1.528 -8.581 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -7.950 -3.162 -7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -6.917 -1.894 -7.175 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.643 -5.375 -10.066 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.761 -5.958 -11.070 1.00 0.00 C ATOM 1381 C LYS A 86 -4.275 -5.673 -12.478 1.00 0.00 C ATOM 1382 O LYS A 86 -5.405 -6.020 -12.819 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.639 -7.468 -10.856 1.00 0.00 C ATOM 1384 CG LYS A 86 -3.145 -7.848 -9.471 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.781 -9.321 -9.394 1.00 0.00 C ATOM 1386 CE LYS A 86 -1.692 -9.573 -8.361 1.00 0.00 C ATOM 1387 NZ LYS A 86 -1.157 -10.960 -8.447 1.00 0.00 N ATOM 0 H LYS A 86 -5.522 -5.875 -9.936 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.777 -5.501 -10.962 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.612 -7.930 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.957 -7.878 -11.601 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.275 -7.243 -9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.916 -7.624 -8.734 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.667 -9.903 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.443 -9.665 -10.372 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.880 -8.861 -8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.092 -9.399 -7.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.418 -11.092 -7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.927 -11.640 -8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.753 -11.118 -9.392 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.436 -5.040 -13.292 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.804 -4.711 -14.664 1.00 0.00 C ATOM 1403 C LYS A 87 -3.897 -5.970 -15.519 1.00 0.00 C ATOM 1404 O LYS A 87 -3.181 -6.944 -15.287 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.783 -3.744 -15.269 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.373 -4.306 -15.326 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.397 -3.304 -15.919 1.00 0.00 C ATOM 1408 CE LYS A 87 0.144 -2.358 -14.858 1.00 0.00 C ATOM 1409 NZ LYS A 87 1.205 -1.465 -15.400 1.00 0.00 N ATOM 0 H LYS A 87 -2.497 -4.745 -13.025 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.783 -4.232 -14.647 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.100 -3.478 -16.277 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.775 -2.824 -14.684 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.049 -4.581 -14.322 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.368 -5.218 -15.923 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.430 -3.835 -16.390 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.894 -2.730 -16.701 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.671 -1.754 -14.461 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.546 -2.937 -14.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.548 -0.836 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.995 -2.041 -15.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.815 -0.894 -16.177 1.00 0.00 H new ATOM 1423 N SER A 88 -4.782 -5.943 -16.510 1.00 0.00 N ATOM 1424 CA SER A 88 -4.970 -7.084 -17.399 1.00 0.00 C ATOM 1425 C SER A 88 -5.825 -6.699 -18.603 1.00 0.00 C ATOM 1426 O SER A 88 -6.995 -6.346 -18.460 1.00 0.00 O ATOM 1427 CB SER A 88 -5.623 -8.243 -16.645 1.00 0.00 C ATOM 1428 OG SER A 88 -7.003 -8.000 -16.432 1.00 0.00 O ATOM 0 H SER A 88 -5.380 -5.144 -16.718 1.00 0.00 H new ATOM 0 HA SER A 88 -3.990 -7.400 -17.757 1.00 0.00 H new ATOM 0 HB2 SER A 88 -5.496 -9.166 -17.210 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.123 -8.385 -15.687 1.00 0.00 H new ATOM 0 HG SER A 88 -7.266 -7.179 -16.898 1.00 0.00 H new ATOM 1434 N GLY A 89 -5.231 -6.771 -19.790 1.00 0.00 N ATOM 1435 CA GLY A 89 -5.951 -6.428 -21.002 1.00 0.00 C ATOM 1436 C GLY A 89 -5.716 -7.426 -22.119 1.00 0.00 C ATOM 1437 O GLY A 89 -4.686 -8.098 -22.173 1.00 0.00 O ATOM 0 H GLY A 89 -4.264 -7.061 -19.934 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.018 -6.376 -20.785 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.644 -5.436 -21.335 1.00 0.00 H new ATOM 1441 N PRO A 90 -6.690 -7.535 -23.035 1.00 0.00 N ATOM 1442 CA PRO A 90 -6.607 -8.457 -24.172 1.00 0.00 C ATOM 1443 C PRO A 90 -5.560 -8.027 -25.193 1.00 0.00 C ATOM 1444 O PRO A 90 -5.016 -8.854 -25.925 1.00 0.00 O ATOM 1445 CB PRO A 90 -8.009 -8.391 -24.784 1.00 0.00 C ATOM 1446 CG PRO A 90 -8.534 -7.055 -24.386 1.00 0.00 C ATOM 1447 CD PRO A 90 -7.945 -6.765 -23.033 1.00 0.00 C ATOM 0 HA PRO A 90 -6.307 -9.459 -23.863 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.973 -8.495 -25.868 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -8.643 -9.194 -24.408 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -8.246 -6.291 -25.109 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.623 -7.060 -24.345 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.762 -5.699 -22.894 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.610 -7.082 -22.229 1.00 0.00 H new ATOM 1455 N SER A 91 -5.280 -6.728 -25.235 1.00 0.00 N ATOM 1456 CA SER A 91 -4.299 -6.188 -26.169 1.00 0.00 C ATOM 1457 C SER A 91 -3.084 -7.105 -26.273 1.00 0.00 C ATOM 1458 O SER A 91 -2.674 -7.723 -25.290 1.00 0.00 O ATOM 1459 CB SER A 91 -3.860 -4.790 -25.729 1.00 0.00 C ATOM 1460 OG SER A 91 -4.902 -3.847 -25.912 1.00 0.00 O ATOM 0 H SER A 91 -5.718 -6.031 -24.633 1.00 0.00 H new ATOM 0 HA SER A 91 -4.768 -6.122 -27.151 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.565 -4.811 -24.680 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.984 -4.484 -26.300 1.00 0.00 H new ATOM 0 HG SER A 91 -4.597 -2.962 -25.622 1.00 0.00 H new ATOM 1466 N SER A 92 -2.514 -7.189 -27.470 1.00 0.00 N ATOM 1467 CA SER A 92 -1.348 -8.033 -27.705 1.00 0.00 C ATOM 1468 C SER A 92 -0.352 -7.340 -28.629 1.00 0.00 C ATOM 1469 O SER A 92 -0.719 -6.838 -29.691 1.00 0.00 O ATOM 1470 CB SER A 92 -1.776 -9.372 -28.309 1.00 0.00 C ATOM 1471 OG SER A 92 -2.453 -10.170 -27.353 1.00 0.00 O ATOM 0 H SER A 92 -2.841 -6.683 -28.293 1.00 0.00 H new ATOM 0 HA SER A 92 -0.861 -8.213 -26.746 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.426 -9.197 -29.166 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.899 -9.905 -28.677 1.00 0.00 H new ATOM 0 HG SER A 92 -3.247 -9.693 -27.032 1.00 0.00 H new ATOM 1477 N GLY A 93 0.912 -7.317 -28.216 1.00 0.00 N ATOM 1478 CA GLY A 93 1.942 -6.683 -29.018 1.00 0.00 C ATOM 1479 C GLY A 93 2.503 -7.610 -30.079 1.00 0.00 C ATOM 1480 O GLY A 93 3.435 -7.249 -30.797 1.00 0.00 O ATOM 0 H GLY A 93 1.241 -7.726 -27.341 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.530 -5.795 -29.497 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.750 -6.349 -28.368 1.00 0.00 H new TER 1484 GLY A 93