USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 590 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 34 ASN : amide:sc=-0.00296 K(o=-0.003,f=-1.7!) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -109:sc= -0.936 (180deg=-4.19!) USER MOD Set 2.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 45 THR OG1 : rot -5:sc= 1.05 USER MOD Set 3.2: A 50 HIS : no HD1:sc= -3.21! C(o=-2.2!,f=-4.1!) USER MOD Set 4.1: A 33 THR OG1 : rot -96:sc= 2.13 USER MOD Set 4.2: A 35 SER OG : rot -61:sc= 1.23 USER MOD Set 4.3: A 63 THR OG1 : rot -146:sc= 0.0021 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.42) USER MOD Single : A 22 SER OG : rot 77:sc= 0.245 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 66:sc= 1.17 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -1.14 USER MOD Single : A 68 MET CE :methyl -164:sc= -3.16! (180deg=-3.85!) USER MOD Single : A 71 ASN : amide:sc= -0.0744 K(o=-0.074,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.066 -26.727 -17.331 1.00 0.00 N ATOM 46 CA GLN A 5 -7.041 -27.292 -16.356 1.00 0.00 C ATOM 47 C GLN A 5 -7.011 -26.465 -15.068 1.00 0.00 C ATOM 48 O GLN A 5 -6.000 -25.892 -14.711 1.00 0.00 O ATOM 49 CB GLN A 5 -6.666 -28.741 -16.040 1.00 0.00 C ATOM 50 CG GLN A 5 -6.717 -29.572 -17.323 1.00 0.00 C ATOM 51 CD GLN A 5 -6.263 -31.001 -17.024 1.00 0.00 C ATOM 52 OE1 GLN A 5 -5.677 -31.262 -15.991 1.00 0.00 O ATOM 53 NE2 GLN A 5 -6.510 -31.946 -17.889 1.00 0.00 N ATOM 0 HA GLN A 5 -8.043 -27.262 -16.785 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.667 -28.783 -15.606 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.352 -29.152 -15.300 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.730 -29.578 -17.725 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -6.075 -29.127 -18.083 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -7.002 -31.728 -18.756 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.212 -32.903 -17.698 1.00 0.00 H new ATOM 62 N LYS A 6 -8.111 -26.398 -14.370 1.00 0.00 N ATOM 63 CA LYS A 6 -8.145 -25.608 -13.107 1.00 0.00 C ATOM 64 C LYS A 6 -8.893 -26.398 -12.032 1.00 0.00 C ATOM 65 O LYS A 6 -9.861 -27.078 -12.308 1.00 0.00 O ATOM 66 CB LYS A 6 -8.861 -24.279 -13.356 1.00 0.00 C ATOM 67 CG LYS A 6 -10.338 -24.544 -13.655 1.00 0.00 C ATOM 68 CD LYS A 6 -11.034 -23.226 -13.998 1.00 0.00 C ATOM 69 CE LYS A 6 -12.547 -23.446 -14.043 1.00 0.00 C ATOM 70 NZ LYS A 6 -13.039 -23.228 -15.434 1.00 0.00 N ATOM 0 H LYS A 6 -8.988 -26.856 -14.619 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.126 -25.414 -12.772 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.766 -23.633 -12.483 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.398 -23.755 -14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.432 -25.244 -14.485 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.817 -25.007 -12.792 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.788 -22.468 -13.254 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.681 -22.855 -14.960 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.788 -24.457 -13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -13.046 -22.761 -13.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.068 -23.377 -15.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.821 -22.255 -15.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.572 -23.899 -16.077 1.00 0.00 H new ATOM 84 N ILE A 7 -8.451 -26.315 -10.806 1.00 0.00 N ATOM 85 CA ILE A 7 -9.138 -27.062 -9.716 1.00 0.00 C ATOM 86 C ILE A 7 -9.746 -26.069 -8.722 1.00 0.00 C ATOM 87 O ILE A 7 -9.139 -25.077 -8.370 1.00 0.00 O ATOM 88 CB ILE A 7 -8.126 -27.952 -8.992 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.460 -28.892 -9.999 1.00 0.00 C ATOM 90 CG2 ILE A 7 -8.846 -28.779 -7.924 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.365 -29.698 -9.298 1.00 0.00 C ATOM 0 H ILE A 7 -7.645 -25.763 -10.513 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.928 -27.681 -10.141 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.367 -27.328 -8.520 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.202 -29.564 -10.430 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.034 -28.318 -10.822 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.125 -29.413 -7.408 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.321 -28.111 -7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.605 -29.402 -8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.890 -30.368 -10.015 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.619 -29.018 -8.888 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.805 -30.284 -8.491 1.00 0.00 H new ATOM 103 N ARG A 8 -10.940 -26.330 -8.265 1.00 0.00 N ATOM 104 CA ARG A 8 -11.585 -25.401 -7.294 1.00 0.00 C ATOM 105 C ARG A 8 -11.850 -26.140 -5.982 1.00 0.00 C ATOM 106 O ARG A 8 -12.366 -27.239 -5.970 1.00 0.00 O ATOM 107 CB ARG A 8 -12.909 -24.897 -7.873 1.00 0.00 C ATOM 108 CG ARG A 8 -12.638 -24.103 -9.153 1.00 0.00 C ATOM 109 CD ARG A 8 -13.950 -23.516 -9.676 1.00 0.00 C ATOM 110 NE ARG A 8 -13.733 -22.946 -11.035 1.00 0.00 N ATOM 111 CZ ARG A 8 -13.395 -21.694 -11.172 1.00 0.00 C ATOM 112 NH1 ARG A 8 -12.201 -21.298 -10.826 1.00 0.00 N ATOM 113 NH2 ARG A 8 -14.252 -20.834 -11.653 1.00 0.00 N ATOM 0 H ARG A 8 -11.496 -27.145 -8.522 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.925 -24.554 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.568 -25.738 -8.087 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.421 -24.269 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.924 -23.304 -8.954 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.190 -24.750 -9.907 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.717 -24.289 -9.713 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.310 -22.742 -8.999 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.849 -23.536 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.531 -21.968 -10.448 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -11.937 -20.319 -10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.187 -21.141 -11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.987 -19.855 -11.760 1.00 0.00 H new ATOM 127 N ILE A 9 -11.502 -25.544 -4.875 1.00 0.00 N ATOM 128 CA ILE A 9 -11.735 -26.213 -3.563 1.00 0.00 C ATOM 129 C ILE A 9 -12.551 -25.288 -2.658 1.00 0.00 C ATOM 130 O ILE A 9 -12.251 -24.119 -2.516 1.00 0.00 O ATOM 131 CB ILE A 9 -10.390 -26.519 -2.900 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.551 -27.399 -3.828 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.629 -27.253 -1.580 1.00 0.00 C ATOM 134 CD1 ILE A 9 -8.164 -27.607 -3.218 1.00 0.00 C ATOM 0 H ILE A 9 -11.067 -24.623 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.282 -27.143 -3.721 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.860 -25.586 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.042 -28.361 -3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.462 -26.931 -4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.672 -27.472 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.226 -26.626 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.160 -28.185 -1.773 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.566 -28.234 -3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.674 -26.642 -3.092 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.263 -28.094 -2.248 1.00 0.00 H new ATOM 146 N LYS A 10 -13.581 -25.801 -2.045 1.00 0.00 N ATOM 147 CA LYS A 10 -14.415 -24.950 -1.150 1.00 0.00 C ATOM 148 C LYS A 10 -14.120 -25.303 0.309 1.00 0.00 C ATOM 149 O LYS A 10 -14.013 -26.458 0.669 1.00 0.00 O ATOM 150 CB LYS A 10 -15.895 -25.196 -1.445 1.00 0.00 C ATOM 151 CG LYS A 10 -16.248 -24.600 -2.809 1.00 0.00 C ATOM 152 CD LYS A 10 -17.764 -24.653 -3.010 1.00 0.00 C ATOM 153 CE LYS A 10 -18.225 -26.112 -3.034 1.00 0.00 C ATOM 154 NZ LYS A 10 -19.660 -26.174 -3.432 1.00 0.00 N ATOM 0 H LYS A 10 -13.882 -26.772 -2.125 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.180 -23.900 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.106 -26.265 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.512 -24.744 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.898 -23.570 -2.869 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.745 -25.154 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.267 -24.115 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.035 -24.159 -3.943 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.617 -26.685 -3.734 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.089 -26.563 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.973 -27.166 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -20.233 -25.641 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.776 -25.759 -4.378 1.00 0.00 H new ATOM 168 N LEU A 11 -13.988 -24.316 1.151 1.00 0.00 N ATOM 169 CA LEU A 11 -13.701 -24.595 2.586 1.00 0.00 C ATOM 170 C LEU A 11 -14.934 -24.260 3.426 1.00 0.00 C ATOM 171 O LEU A 11 -15.594 -23.264 3.206 1.00 0.00 O ATOM 172 CB LEU A 11 -12.523 -23.732 3.046 1.00 0.00 C ATOM 173 CG LEU A 11 -11.328 -23.967 2.120 1.00 0.00 C ATOM 174 CD1 LEU A 11 -11.558 -23.236 0.796 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.057 -23.433 2.782 1.00 0.00 C ATOM 0 H LEU A 11 -14.066 -23.329 0.908 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.452 -25.649 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.804 -22.679 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.255 -23.980 4.073 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.219 -25.035 1.932 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.707 -23.403 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.464 -23.616 0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.667 -22.168 0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.205 -23.600 2.123 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.166 -22.365 2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.892 -23.953 3.726 1.00 0.00 H new ATOM 187 N LYS A 12 -15.251 -25.083 4.388 1.00 0.00 N ATOM 188 CA LYS A 12 -16.442 -24.810 5.240 1.00 0.00 C ATOM 189 C LYS A 12 -16.032 -24.850 6.714 1.00 0.00 C ATOM 190 O LYS A 12 -15.283 -25.710 7.135 1.00 0.00 O ATOM 191 CB LYS A 12 -17.512 -25.872 4.977 1.00 0.00 C ATOM 192 CG LYS A 12 -17.869 -25.880 3.489 1.00 0.00 C ATOM 193 CD LYS A 12 -19.078 -26.789 3.261 1.00 0.00 C ATOM 194 CE LYS A 12 -19.426 -26.811 1.770 1.00 0.00 C ATOM 195 NZ LYS A 12 -20.843 -26.388 1.583 1.00 0.00 N ATOM 0 H LYS A 12 -14.736 -25.932 4.620 1.00 0.00 H new ATOM 0 HA LYS A 12 -16.843 -23.825 5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.147 -26.854 5.280 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.400 -25.664 5.574 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.093 -24.868 3.152 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.020 -26.231 2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -18.858 -27.798 3.609 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -19.930 -26.431 3.839 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -18.761 -26.144 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.278 -27.813 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.416 -27.209 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.210 -26.000 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.893 -25.660 0.842 1.00 0.00 H new ATOM 209 N ALA A 13 -16.516 -23.929 7.501 1.00 0.00 N ATOM 210 CA ALA A 13 -16.151 -23.918 8.946 1.00 0.00 C ATOM 211 C ALA A 13 -17.109 -23.001 9.709 1.00 0.00 C ATOM 212 O ALA A 13 -17.559 -21.994 9.200 1.00 0.00 O ATOM 213 CB ALA A 13 -14.719 -23.403 9.107 1.00 0.00 C ATOM 0 H ALA A 13 -17.148 -23.184 7.207 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.222 -24.930 9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.452 -23.395 10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.035 -24.055 8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.649 -22.391 8.707 1.00 0.00 H new ATOM 219 N TYR A 14 -17.421 -23.344 10.929 1.00 0.00 N ATOM 220 CA TYR A 14 -18.347 -22.496 11.729 1.00 0.00 C ATOM 221 C TYR A 14 -17.786 -21.077 11.829 1.00 0.00 C ATOM 222 O TYR A 14 -18.465 -20.111 11.542 1.00 0.00 O ATOM 223 CB TYR A 14 -18.483 -23.085 13.133 1.00 0.00 C ATOM 224 CG TYR A 14 -19.700 -22.499 13.803 1.00 0.00 C ATOM 225 CD1 TYR A 14 -20.978 -22.835 13.345 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.551 -21.621 14.882 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.110 -22.292 13.963 1.00 0.00 C ATOM 228 CE2 TYR A 14 -20.682 -21.077 15.502 1.00 0.00 C ATOM 229 CZ TYR A 14 -21.962 -21.412 15.044 1.00 0.00 C ATOM 230 OH TYR A 14 -23.076 -20.875 15.655 1.00 0.00 O ATOM 0 H TYR A 14 -17.074 -24.176 11.406 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.323 -22.467 11.245 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.571 -24.170 13.078 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -17.590 -22.867 13.719 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.091 -23.514 12.513 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.564 -21.363 15.236 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.096 -22.551 13.608 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.567 -20.398 16.334 1.00 0.00 H new ATOM 0 HH TYR A 14 -22.796 -20.287 16.387 1.00 0.00 H new ATOM 240 N ASP A 15 -16.554 -20.943 12.237 1.00 0.00 N ATOM 241 CA ASP A 15 -15.955 -19.586 12.359 1.00 0.00 C ATOM 242 C ASP A 15 -15.276 -19.202 11.044 1.00 0.00 C ATOM 243 O ASP A 15 -14.464 -19.934 10.515 1.00 0.00 O ATOM 244 CB ASP A 15 -14.919 -19.587 13.485 1.00 0.00 C ATOM 245 CG ASP A 15 -15.617 -19.865 14.819 1.00 0.00 C ATOM 246 OD1 ASP A 15 -16.829 -19.739 14.868 1.00 0.00 O ATOM 247 OD2 ASP A 15 -14.927 -20.200 15.767 1.00 0.00 O ATOM 0 H ASP A 15 -15.937 -21.715 12.491 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.740 -18.864 12.584 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.160 -20.345 13.295 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.407 -18.626 13.524 1.00 0.00 H new ATOM 252 N HIS A 16 -15.603 -18.057 10.511 1.00 0.00 N ATOM 253 CA HIS A 16 -14.977 -17.624 9.230 1.00 0.00 C ATOM 254 C HIS A 16 -13.485 -17.371 9.452 1.00 0.00 C ATOM 255 O HIS A 16 -12.663 -17.665 8.606 1.00 0.00 O ATOM 256 CB HIS A 16 -15.646 -16.337 8.746 1.00 0.00 C ATOM 257 CG HIS A 16 -14.947 -15.839 7.512 1.00 0.00 C ATOM 258 ND1 HIS A 16 -13.939 -14.889 7.564 1.00 0.00 N ATOM 259 CD2 HIS A 16 -15.100 -16.149 6.183 1.00 0.00 C ATOM 260 CE1 HIS A 16 -13.529 -14.662 6.303 1.00 0.00 C ATOM 261 NE2 HIS A 16 -14.205 -15.404 5.421 1.00 0.00 N ATOM 0 H HIS A 16 -16.277 -17.402 10.908 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.105 -18.405 8.480 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -16.699 -16.521 8.531 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -15.608 -15.579 9.528 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.808 -16.863 5.789 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.748 -13.965 6.036 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -14.090 -15.421 4.408 1.00 0.00 H new ATOM 269 N GLU A 17 -13.127 -16.829 10.585 1.00 0.00 N ATOM 270 CA GLU A 17 -11.689 -16.560 10.861 1.00 0.00 C ATOM 271 C GLU A 17 -10.894 -17.861 10.737 1.00 0.00 C ATOM 272 O GLU A 17 -9.828 -17.896 10.153 1.00 0.00 O ATOM 273 CB GLU A 17 -11.536 -16.000 12.276 1.00 0.00 C ATOM 274 CG GLU A 17 -10.084 -15.573 12.503 1.00 0.00 C ATOM 275 CD GLU A 17 -9.764 -14.365 11.620 1.00 0.00 C ATOM 276 OE1 GLU A 17 -10.689 -13.654 11.264 1.00 0.00 O ATOM 277 OE2 GLU A 17 -8.598 -14.171 11.316 1.00 0.00 O ATOM 0 H GLU A 17 -13.769 -16.561 11.331 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.311 -15.834 10.142 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.202 -15.149 12.415 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.823 -16.753 13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.927 -15.322 13.552 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.410 -16.397 12.268 1.00 0.00 H new ATOM 284 N LEU A 18 -11.402 -18.932 11.282 1.00 0.00 N ATOM 285 CA LEU A 18 -10.674 -20.229 11.193 1.00 0.00 C ATOM 286 C LEU A 18 -10.605 -20.674 9.732 1.00 0.00 C ATOM 287 O LEU A 18 -9.614 -21.216 9.284 1.00 0.00 O ATOM 288 CB LEU A 18 -11.413 -21.286 12.014 1.00 0.00 C ATOM 289 CG LEU A 18 -11.565 -20.800 13.457 1.00 0.00 C ATOM 290 CD1 LEU A 18 -12.165 -21.918 14.311 1.00 0.00 C ATOM 291 CD2 LEU A 18 -10.192 -20.416 14.012 1.00 0.00 C ATOM 0 H LEU A 18 -12.289 -18.965 11.785 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.664 -20.107 11.584 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.394 -21.479 11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.864 -22.227 11.992 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.223 -19.932 13.481 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.273 -21.572 15.339 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.143 -22.193 13.916 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.507 -22.787 14.288 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.299 -20.070 15.040 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.534 -21.285 13.988 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.763 -19.620 13.404 1.00 0.00 H new ATOM 303 N LEU A 19 -11.650 -20.448 8.983 1.00 0.00 N ATOM 304 CA LEU A 19 -11.643 -20.857 7.550 1.00 0.00 C ATOM 305 C LEU A 19 -10.594 -20.042 6.792 1.00 0.00 C ATOM 306 O LEU A 19 -9.899 -20.551 5.936 1.00 0.00 O ATOM 307 CB LEU A 19 -13.023 -20.603 6.942 1.00 0.00 C ATOM 308 CG LEU A 19 -13.129 -21.321 5.596 1.00 0.00 C ATOM 309 CD1 LEU A 19 -14.603 -21.505 5.231 1.00 0.00 C ATOM 310 CD2 LEU A 19 -12.435 -20.488 4.517 1.00 0.00 C ATOM 0 H LEU A 19 -12.508 -19.998 9.302 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.402 -21.917 7.475 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.801 -20.959 7.618 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.182 -19.533 6.809 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.648 -22.297 5.666 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -14.679 -22.017 4.272 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.097 -22.100 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.085 -20.530 5.161 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.511 -21.000 3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.915 -19.512 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.385 -20.358 4.777 1.00 0.00 H new ATOM 322 N ASP A 20 -10.474 -18.779 7.099 1.00 0.00 N ATOM 323 CA ASP A 20 -9.470 -17.934 6.396 1.00 0.00 C ATOM 324 C ASP A 20 -8.070 -18.505 6.628 1.00 0.00 C ATOM 325 O ASP A 20 -7.262 -18.582 5.724 1.00 0.00 O ATOM 326 CB ASP A 20 -9.534 -16.505 6.939 1.00 0.00 C ATOM 327 CG ASP A 20 -8.727 -15.577 6.029 1.00 0.00 C ATOM 328 OD1 ASP A 20 -8.255 -16.046 5.008 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.595 -14.414 6.372 1.00 0.00 O ATOM 0 H ASP A 20 -11.028 -18.297 7.806 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.687 -17.926 5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.570 -16.170 6.991 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.137 -16.472 7.954 1.00 0.00 H new ATOM 334 N GLU A 21 -7.777 -18.909 7.834 1.00 0.00 N ATOM 335 CA GLU A 21 -6.429 -19.477 8.122 1.00 0.00 C ATOM 336 C GLU A 21 -6.263 -20.796 7.366 1.00 0.00 C ATOM 337 O GLU A 21 -5.217 -21.081 6.817 1.00 0.00 O ATOM 338 CB GLU A 21 -6.292 -19.728 9.624 1.00 0.00 C ATOM 339 CG GLU A 21 -4.870 -20.203 9.934 1.00 0.00 C ATOM 340 CD GLU A 21 -4.766 -20.570 11.416 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.771 -20.479 12.100 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.682 -20.936 11.840 1.00 0.00 O ATOM 0 H GLU A 21 -8.412 -18.870 8.631 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.660 -18.774 7.801 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.511 -18.815 10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.015 -20.477 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.621 -21.066 9.316 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.152 -19.419 9.691 1.00 0.00 H new ATOM 349 N SER A 22 -7.288 -21.605 7.333 1.00 0.00 N ATOM 350 CA SER A 22 -7.188 -22.904 6.611 1.00 0.00 C ATOM 351 C SER A 22 -6.987 -22.641 5.117 1.00 0.00 C ATOM 352 O SER A 22 -6.169 -23.265 4.471 1.00 0.00 O ATOM 353 CB SER A 22 -8.475 -23.705 6.820 1.00 0.00 C ATOM 354 OG SER A 22 -8.730 -23.837 8.210 1.00 0.00 O ATOM 0 H SER A 22 -8.189 -21.422 7.775 1.00 0.00 H new ATOM 0 HA SER A 22 -6.341 -23.471 6.998 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.311 -23.204 6.332 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.382 -24.689 6.361 1.00 0.00 H new ATOM 0 HG SER A 22 -9.097 -22.997 8.557 1.00 0.00 H new ATOM 360 N ALA A 23 -7.727 -21.718 4.565 1.00 0.00 N ATOM 361 CA ALA A 23 -7.577 -21.413 3.114 1.00 0.00 C ATOM 362 C ALA A 23 -6.215 -20.761 2.870 1.00 0.00 C ATOM 363 O ALA A 23 -5.524 -21.078 1.922 1.00 0.00 O ATOM 364 CB ALA A 23 -8.687 -20.455 2.678 1.00 0.00 C ATOM 0 H ALA A 23 -8.428 -21.163 5.056 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.647 -22.336 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.578 -20.231 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.658 -20.919 2.853 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.617 -19.531 3.253 1.00 0.00 H new ATOM 370 N LYS A 24 -5.821 -19.853 3.721 1.00 0.00 N ATOM 371 CA LYS A 24 -4.504 -19.182 3.539 1.00 0.00 C ATOM 372 C LYS A 24 -3.385 -20.215 3.680 1.00 0.00 C ATOM 373 O LYS A 24 -2.434 -20.221 2.924 1.00 0.00 O ATOM 374 CB LYS A 24 -4.334 -18.097 4.604 1.00 0.00 C ATOM 375 CG LYS A 24 -3.041 -17.322 4.340 1.00 0.00 C ATOM 376 CD LYS A 24 -2.841 -16.275 5.438 1.00 0.00 C ATOM 377 CE LYS A 24 -1.629 -15.405 5.099 1.00 0.00 C ATOM 378 NZ LYS A 24 -2.075 -14.007 4.843 1.00 0.00 N ATOM 0 H LYS A 24 -6.355 -19.547 4.534 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.459 -18.729 2.549 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.187 -17.419 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.305 -18.547 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.193 -18.006 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.087 -16.838 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.733 -15.655 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.692 -16.765 6.400 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.913 -15.425 5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.118 -15.801 4.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.251 -13.416 4.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.742 -13.996 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.544 -13.631 5.692 1.00 0.00 H new ATOM 392 N LYS A 25 -3.490 -21.089 4.643 1.00 0.00 N ATOM 393 CA LYS A 25 -2.433 -22.122 4.832 1.00 0.00 C ATOM 394 C LYS A 25 -2.291 -22.947 3.551 1.00 0.00 C ATOM 395 O LYS A 25 -1.205 -23.142 3.044 1.00 0.00 O ATOM 396 CB LYS A 25 -2.822 -23.042 5.991 1.00 0.00 C ATOM 397 CG LYS A 25 -1.660 -23.991 6.300 1.00 0.00 C ATOM 398 CD LYS A 25 -2.056 -24.923 7.447 1.00 0.00 C ATOM 399 CE LYS A 25 -0.844 -25.753 7.871 1.00 0.00 C ATOM 400 NZ LYS A 25 -1.231 -26.666 8.984 1.00 0.00 N ATOM 0 H LYS A 25 -4.263 -21.132 5.307 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.484 -21.635 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.067 -22.450 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.714 -23.613 5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.407 -24.574 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.772 -23.420 6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.425 -24.341 8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.868 -25.579 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.472 -26.331 7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.034 -25.097 8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.407 -27.231 9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.566 -26.105 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.990 -27.301 8.664 1.00 0.00 H new ATOM 414 N ILE A 26 -3.382 -23.433 3.025 1.00 0.00 N ATOM 415 CA ILE A 26 -3.310 -24.245 1.778 1.00 0.00 C ATOM 416 C ILE A 26 -2.815 -23.369 0.626 1.00 0.00 C ATOM 417 O ILE A 26 -2.016 -23.789 -0.189 1.00 0.00 O ATOM 418 CB ILE A 26 -4.700 -24.788 1.443 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.222 -25.617 2.617 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.614 -25.669 0.195 1.00 0.00 C ATOM 421 CD1 ILE A 26 -4.144 -26.608 3.062 1.00 0.00 C ATOM 0 H ILE A 26 -4.320 -23.303 3.405 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.620 -25.076 1.925 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.380 -23.957 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.494 -24.963 3.445 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.125 -26.153 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.604 -26.057 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.243 -25.078 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.934 -26.500 0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.516 -27.199 3.899 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.894 -27.270 2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.253 -26.062 3.371 1.00 0.00 H new ATOM 433 N VAL A 27 -3.281 -22.151 0.551 1.00 0.00 N ATOM 434 CA VAL A 27 -2.838 -21.250 -0.549 1.00 0.00 C ATOM 435 C VAL A 27 -1.316 -21.093 -0.497 1.00 0.00 C ATOM 436 O VAL A 27 -0.639 -21.178 -1.503 1.00 0.00 O ATOM 437 CB VAL A 27 -3.497 -19.880 -0.382 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.896 -18.898 -1.390 1.00 0.00 C ATOM 439 CG2 VAL A 27 -5.002 -20.005 -0.628 1.00 0.00 C ATOM 0 H VAL A 27 -3.949 -21.742 1.204 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.127 -21.678 -1.509 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.323 -19.514 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.366 -17.922 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.824 -18.809 -1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.070 -19.263 -2.402 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.472 -19.029 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.176 -20.371 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.431 -20.704 0.090 1.00 0.00 H new ATOM 449 N GLU A 28 -0.774 -20.863 0.666 1.00 0.00 N ATOM 450 CA GLU A 28 0.704 -20.699 0.781 1.00 0.00 C ATOM 451 C GLU A 28 1.398 -21.982 0.321 1.00 0.00 C ATOM 452 O GLU A 28 2.380 -21.946 -0.392 1.00 0.00 O ATOM 453 CB GLU A 28 1.073 -20.414 2.238 1.00 0.00 C ATOM 454 CG GLU A 28 0.498 -19.060 2.655 1.00 0.00 C ATOM 455 CD GLU A 28 1.041 -17.968 1.730 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.046 -18.214 1.082 1.00 0.00 O ATOM 457 OE2 GLU A 28 0.442 -16.906 1.683 1.00 0.00 O ATOM 0 H GLU A 28 -1.289 -20.781 1.542 1.00 0.00 H new ATOM 0 HA GLU A 28 1.027 -19.868 0.154 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.683 -21.201 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.157 -20.413 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.591 -19.085 2.606 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.766 -18.842 3.689 1.00 0.00 H new ATOM 464 N VAL A 29 0.895 -23.117 0.724 1.00 0.00 N ATOM 465 CA VAL A 29 1.527 -24.401 0.310 1.00 0.00 C ATOM 466 C VAL A 29 1.247 -24.653 -1.173 1.00 0.00 C ATOM 467 O VAL A 29 2.106 -25.096 -1.910 1.00 0.00 O ATOM 468 CB VAL A 29 0.946 -25.548 1.140 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.730 -26.831 0.858 1.00 0.00 C ATOM 470 CG2 VAL A 29 1.050 -25.203 2.627 1.00 0.00 C ATOM 0 H VAL A 29 0.074 -23.210 1.322 1.00 0.00 H new ATOM 0 HA VAL A 29 2.603 -24.344 0.472 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.100 -25.697 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.316 -27.648 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.657 -27.077 -0.201 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.777 -26.684 1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.637 -26.019 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.096 -25.055 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.491 -24.289 2.828 1.00 0.00 H new ATOM 480 N ALA A 30 0.052 -24.375 -1.617 1.00 0.00 N ATOM 481 CA ALA A 30 -0.282 -24.600 -3.051 1.00 0.00 C ATOM 482 C ALA A 30 0.591 -23.698 -3.926 1.00 0.00 C ATOM 483 O ALA A 30 1.169 -24.134 -4.902 1.00 0.00 O ATOM 484 CB ALA A 30 -1.757 -24.272 -3.291 1.00 0.00 C ATOM 0 H ALA A 30 -0.708 -24.002 -1.048 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.097 -25.643 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.000 -24.437 -4.341 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.379 -24.916 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.944 -23.229 -3.035 1.00 0.00 H new ATOM 490 N LYS A 31 0.693 -22.443 -3.584 1.00 0.00 N ATOM 491 CA LYS A 31 1.528 -21.514 -4.397 1.00 0.00 C ATOM 492 C LYS A 31 2.974 -22.014 -4.417 1.00 0.00 C ATOM 493 O LYS A 31 3.647 -21.955 -5.427 1.00 0.00 O ATOM 494 CB LYS A 31 1.480 -20.114 -3.783 1.00 0.00 C ATOM 495 CG LYS A 31 0.082 -19.522 -3.974 1.00 0.00 C ATOM 496 CD LYS A 31 0.070 -18.074 -3.479 1.00 0.00 C ATOM 497 CE LYS A 31 -1.360 -17.530 -3.530 1.00 0.00 C ATOM 498 NZ LYS A 31 -1.518 -16.661 -4.730 1.00 0.00 N ATOM 0 H LYS A 31 0.234 -22.021 -2.777 1.00 0.00 H new ATOM 0 HA LYS A 31 1.142 -21.476 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.725 -20.162 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.226 -19.473 -4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.200 -19.560 -5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.652 -20.111 -3.425 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.454 -18.023 -2.460 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.726 -17.461 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.073 -18.354 -3.568 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.577 -16.962 -2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.489 -16.291 -4.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.847 -15.868 -4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.328 -17.217 -5.588 1.00 0.00 H new ATOM 512 N SER A 32 3.457 -22.505 -3.309 1.00 0.00 N ATOM 513 CA SER A 32 4.859 -23.008 -3.267 1.00 0.00 C ATOM 514 C SER A 32 5.064 -24.039 -4.379 1.00 0.00 C ATOM 515 O SER A 32 6.142 -24.174 -4.923 1.00 0.00 O ATOM 516 CB SER A 32 5.127 -23.663 -1.911 1.00 0.00 C ATOM 517 OG SER A 32 4.914 -22.713 -0.876 1.00 0.00 O ATOM 0 H SER A 32 2.942 -22.580 -2.432 1.00 0.00 H new ATOM 0 HA SER A 32 5.547 -22.175 -3.410 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.469 -24.521 -1.773 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.150 -24.037 -1.871 1.00 0.00 H new ATOM 0 HG SER A 32 3.965 -22.470 -0.845 1.00 0.00 H new ATOM 523 N THR A 33 4.037 -24.767 -4.721 1.00 0.00 N ATOM 524 CA THR A 33 4.173 -25.788 -5.798 1.00 0.00 C ATOM 525 C THR A 33 4.184 -25.093 -7.161 1.00 0.00 C ATOM 526 O THR A 33 3.794 -23.950 -7.290 1.00 0.00 O ATOM 527 CB THR A 33 2.994 -26.761 -5.729 1.00 0.00 C ATOM 528 OG1 THR A 33 1.817 -26.111 -6.187 1.00 0.00 O ATOM 529 CG2 THR A 33 2.796 -27.223 -4.284 1.00 0.00 C ATOM 0 H THR A 33 3.110 -24.699 -4.301 1.00 0.00 H new ATOM 0 HA THR A 33 5.105 -26.337 -5.664 1.00 0.00 H new ATOM 0 HB THR A 33 3.199 -27.626 -6.360 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.314 -25.766 -5.420 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.956 -27.916 -4.235 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.700 -27.723 -3.935 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.591 -26.360 -3.651 1.00 0.00 H new ATOM 537 N ASN A 34 4.630 -25.775 -8.181 1.00 0.00 N ATOM 538 CA ASN A 34 4.668 -25.153 -9.535 1.00 0.00 C ATOM 539 C ASN A 34 3.262 -24.694 -9.929 1.00 0.00 C ATOM 540 O ASN A 34 3.091 -23.715 -10.627 1.00 0.00 O ATOM 541 CB ASN A 34 5.174 -26.178 -10.552 1.00 0.00 C ATOM 542 CG ASN A 34 6.623 -26.547 -10.227 1.00 0.00 C ATOM 543 OD1 ASN A 34 7.295 -25.837 -9.507 1.00 0.00 O ATOM 544 ND2 ASN A 34 7.134 -27.637 -10.731 1.00 0.00 N ATOM 0 H ASN A 34 4.970 -26.736 -8.135 1.00 0.00 H new ATOM 0 HA ASN A 34 5.338 -24.293 -9.520 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.547 -27.069 -10.529 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.109 -25.768 -11.560 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.099 -27.893 -10.520 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.569 -28.233 -11.336 1.00 0.00 H new ATOM 551 N SER A 35 2.253 -25.396 -9.491 1.00 0.00 N ATOM 552 CA SER A 35 0.861 -24.999 -9.843 1.00 0.00 C ATOM 553 C SER A 35 0.568 -23.606 -9.283 1.00 0.00 C ATOM 554 O SER A 35 1.224 -23.142 -8.371 1.00 0.00 O ATOM 555 CB SER A 35 -0.123 -26.006 -9.244 1.00 0.00 C ATOM 556 OG SER A 35 -0.224 -25.794 -7.844 1.00 0.00 O ATOM 0 H SER A 35 2.333 -26.227 -8.905 1.00 0.00 H new ATOM 0 HA SER A 35 0.752 -24.984 -10.927 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.102 -25.896 -9.711 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.213 -27.023 -9.445 1.00 0.00 H new ATOM 0 HG SER A 35 0.652 -25.936 -7.428 1.00 0.00 H new ATOM 562 N LYS A 36 -0.415 -22.936 -9.820 1.00 0.00 N ATOM 563 CA LYS A 36 -0.750 -21.574 -9.319 1.00 0.00 C ATOM 564 C LYS A 36 -2.132 -21.598 -8.663 1.00 0.00 C ATOM 565 O LYS A 36 -3.020 -22.308 -9.092 1.00 0.00 O ATOM 566 CB LYS A 36 -0.759 -20.586 -10.488 1.00 0.00 C ATOM 567 CG LYS A 36 0.588 -20.641 -11.211 1.00 0.00 C ATOM 568 CD LYS A 36 1.694 -20.164 -10.268 1.00 0.00 C ATOM 569 CE LYS A 36 3.010 -20.051 -11.041 1.00 0.00 C ATOM 570 NZ LYS A 36 4.147 -20.365 -10.131 1.00 0.00 N ATOM 0 H LYS A 36 -1.000 -23.274 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.004 -21.264 -8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.565 -20.831 -11.179 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.947 -19.576 -10.123 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.793 -21.659 -11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.560 -20.014 -12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.428 -19.198 -9.838 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.806 -20.862 -9.439 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.007 -20.737 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.121 -19.045 -11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.042 -20.289 -10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.152 -19.693 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.042 -21.333 -9.765 1.00 0.00 H new ATOM 584 N VAL A 37 -2.323 -20.829 -7.627 1.00 0.00 N ATOM 585 CA VAL A 37 -3.649 -20.811 -6.947 1.00 0.00 C ATOM 586 C VAL A 37 -4.187 -19.378 -6.914 1.00 0.00 C ATOM 587 O VAL A 37 -3.449 -18.432 -6.723 1.00 0.00 O ATOM 588 CB VAL A 37 -3.496 -21.330 -5.516 1.00 0.00 C ATOM 589 CG1 VAL A 37 -4.877 -21.454 -4.869 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.819 -22.702 -5.541 1.00 0.00 C ATOM 0 H VAL A 37 -1.619 -20.212 -7.222 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.345 -21.448 -7.493 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.886 -20.634 -4.940 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.769 -21.824 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.360 -20.477 -4.852 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.487 -22.150 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.710 -23.072 -4.522 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.429 -23.398 -6.117 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.835 -22.614 -6.003 1.00 0.00 H new ATOM 600 N SER A 38 -5.467 -19.211 -7.101 1.00 0.00 N ATOM 601 CA SER A 38 -6.051 -17.840 -7.081 1.00 0.00 C ATOM 602 C SER A 38 -7.059 -17.730 -5.935 1.00 0.00 C ATOM 603 O SER A 38 -7.815 -18.643 -5.671 1.00 0.00 O ATOM 604 CB SER A 38 -6.757 -17.568 -8.409 1.00 0.00 C ATOM 605 OG SER A 38 -7.098 -16.192 -8.491 1.00 0.00 O ATOM 0 H SER A 38 -6.134 -19.965 -7.267 1.00 0.00 H new ATOM 0 HA SER A 38 -5.256 -17.109 -6.935 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.109 -17.843 -9.241 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.655 -18.181 -8.488 1.00 0.00 H new ATOM 0 HG SER A 38 -7.549 -16.017 -9.343 1.00 0.00 H new ATOM 611 N GLY A 39 -7.076 -16.617 -5.254 1.00 0.00 N ATOM 612 CA GLY A 39 -8.036 -16.448 -4.127 1.00 0.00 C ATOM 613 C GLY A 39 -7.263 -16.152 -2.839 1.00 0.00 C ATOM 614 O GLY A 39 -6.213 -15.542 -2.862 1.00 0.00 O ATOM 0 H GLY A 39 -6.467 -15.818 -5.429 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.728 -15.634 -4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.634 -17.351 -4.006 1.00 0.00 H new ATOM 618 N PRO A 40 -7.802 -16.596 -1.694 1.00 0.00 N ATOM 619 CA PRO A 40 -9.069 -17.335 -1.646 1.00 0.00 C ATOM 620 C PRO A 40 -10.265 -16.431 -1.961 1.00 0.00 C ATOM 621 O PRO A 40 -10.292 -15.273 -1.596 1.00 0.00 O ATOM 622 CB PRO A 40 -9.148 -17.815 -0.197 1.00 0.00 C ATOM 623 CG PRO A 40 -8.318 -16.842 0.569 1.00 0.00 C ATOM 624 CD PRO A 40 -7.213 -16.412 -0.355 1.00 0.00 C ATOM 0 HA PRO A 40 -9.101 -18.141 -2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.177 -17.826 0.161 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.764 -18.830 -0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.915 -15.987 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.914 -17.301 1.471 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.924 -15.376 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.318 -17.019 -0.222 1.00 0.00 H new ATOM 632 N ILE A 41 -11.254 -16.952 -2.632 1.00 0.00 N ATOM 633 CA ILE A 41 -12.445 -16.122 -2.967 1.00 0.00 C ATOM 634 C ILE A 41 -13.526 -16.333 -1.904 1.00 0.00 C ATOM 635 O ILE A 41 -13.999 -17.434 -1.699 1.00 0.00 O ATOM 636 CB ILE A 41 -12.987 -16.535 -4.337 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.829 -16.652 -5.330 1.00 0.00 C ATOM 638 CG2 ILE A 41 -13.979 -15.480 -4.832 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.198 -17.653 -6.427 1.00 0.00 C ATOM 0 H ILE A 41 -11.289 -17.916 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.160 -15.070 -2.993 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.492 -17.497 -4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.612 -15.678 -5.769 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.925 -16.977 -4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.366 -15.774 -5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.804 -15.397 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.475 -14.517 -4.916 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.374 -17.737 -7.135 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -12.393 -18.628 -5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.091 -17.308 -6.949 1.00 0.00 H new ATOM 651 N PRO A 42 -13.919 -15.252 -1.215 1.00 0.00 N ATOM 652 CA PRO A 42 -14.943 -15.313 -0.165 1.00 0.00 C ATOM 653 C PRO A 42 -16.339 -15.560 -0.744 1.00 0.00 C ATOM 654 O PRO A 42 -16.719 -14.982 -1.744 1.00 0.00 O ATOM 655 CB PRO A 42 -14.881 -13.926 0.475 1.00 0.00 C ATOM 656 CG PRO A 42 -14.331 -13.041 -0.593 1.00 0.00 C ATOM 657 CD PRO A 42 -13.394 -13.890 -1.406 1.00 0.00 C ATOM 0 HA PRO A 42 -14.763 -16.129 0.534 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.868 -13.593 0.796 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.242 -13.925 1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.131 -12.640 -1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.807 -12.189 -0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.399 -13.601 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.366 -13.803 -1.056 1.00 0.00 H new ATOM 665 N LEU A 43 -17.105 -16.417 -0.126 1.00 0.00 N ATOM 666 CA LEU A 43 -18.474 -16.703 -0.641 1.00 0.00 C ATOM 667 C LEU A 43 -19.509 -16.313 0.417 1.00 0.00 C ATOM 668 O LEU A 43 -19.169 -15.937 1.522 1.00 0.00 O ATOM 669 CB LEU A 43 -18.601 -18.195 -0.952 1.00 0.00 C ATOM 670 CG LEU A 43 -18.757 -18.390 -2.462 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.393 -18.700 -3.080 1.00 0.00 C ATOM 672 CD2 LEU A 43 -19.714 -19.554 -2.728 1.00 0.00 C ATOM 0 H LEU A 43 -16.842 -16.932 0.714 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.648 -16.126 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.720 -18.728 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.461 -18.614 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.158 -17.480 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.504 -18.839 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.711 -17.872 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.991 -19.611 -2.636 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -19.826 -19.694 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -19.312 -20.464 -2.283 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -20.686 -19.334 -2.287 1.00 0.00 H new ATOM 684 N PRO A 44 -20.800 -16.408 0.066 1.00 0.00 N ATOM 685 CA PRO A 44 -21.898 -16.069 0.981 1.00 0.00 C ATOM 686 C PRO A 44 -22.026 -17.088 2.117 1.00 0.00 C ATOM 687 O PRO A 44 -22.003 -18.282 1.897 1.00 0.00 O ATOM 688 CB PRO A 44 -23.137 -16.124 0.088 1.00 0.00 C ATOM 689 CG PRO A 44 -22.762 -17.050 -1.019 1.00 0.00 C ATOM 690 CD PRO A 44 -21.290 -16.856 -1.250 1.00 0.00 C ATOM 0 HA PRO A 44 -21.746 -15.103 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.004 -16.492 0.636 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.396 -15.136 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.981 -18.084 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.330 -16.827 -1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.807 -17.780 -1.567 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.098 -16.114 -2.025 1.00 0.00 H new ATOM 698 N THR A 45 -22.158 -16.624 3.329 1.00 0.00 N ATOM 699 CA THR A 45 -22.286 -17.566 4.476 1.00 0.00 C ATOM 700 C THR A 45 -23.710 -18.123 4.524 1.00 0.00 C ATOM 701 O THR A 45 -24.650 -17.489 4.087 1.00 0.00 O ATOM 702 CB THR A 45 -21.985 -16.824 5.781 1.00 0.00 C ATOM 703 OG1 THR A 45 -21.868 -17.763 6.842 1.00 0.00 O ATOM 704 CG2 THR A 45 -23.117 -15.844 6.087 1.00 0.00 C ATOM 0 H THR A 45 -22.183 -15.634 3.574 1.00 0.00 H new ATOM 0 HA THR A 45 -21.579 -18.387 4.352 1.00 0.00 H new ATOM 0 HB THR A 45 -21.050 -16.273 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 45 -22.094 -18.658 6.513 1.00 0.00 H new ATOM 0 HG21 THR A 45 -22.901 -15.317 7.016 1.00 0.00 H new ATOM 0 HG22 THR A 45 -23.205 -15.124 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 45 -24.054 -16.391 6.190 1.00 0.00 H new ATOM 762 N VAL A 49 -22.667 -20.810 8.877 1.00 0.00 N ATOM 763 CA VAL A 49 -21.433 -21.464 8.357 1.00 0.00 C ATOM 764 C VAL A 49 -20.860 -20.630 7.210 1.00 0.00 C ATOM 765 O VAL A 49 -21.566 -20.238 6.301 1.00 0.00 O ATOM 766 CB VAL A 49 -21.776 -22.865 7.846 1.00 0.00 C ATOM 767 CG1 VAL A 49 -20.502 -23.554 7.354 1.00 0.00 C ATOM 768 CG2 VAL A 49 -22.396 -23.685 8.978 1.00 0.00 C ATOM 0 HA VAL A 49 -20.696 -21.539 9.156 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.488 -22.787 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -20.746 -24.552 6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.062 -22.970 6.546 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -19.790 -23.631 8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -22.640 -24.683 8.613 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -21.686 -23.763 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.304 -23.194 9.327 1.00 0.00 H new ATOM 778 N HIS A 50 -19.585 -20.356 7.242 1.00 0.00 N ATOM 779 CA HIS A 50 -18.970 -19.548 6.152 1.00 0.00 C ATOM 780 C HIS A 50 -18.307 -20.482 5.138 1.00 0.00 C ATOM 781 O HIS A 50 -17.902 -21.579 5.464 1.00 0.00 O ATOM 782 CB HIS A 50 -17.919 -18.609 6.744 1.00 0.00 C ATOM 783 CG HIS A 50 -18.560 -17.736 7.789 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.253 -16.580 7.462 1.00 0.00 N ATOM 785 CD2 HIS A 50 -18.624 -17.838 9.156 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.700 -16.039 8.609 1.00 0.00 C ATOM 787 NE2 HIS A 50 -19.344 -16.765 9.672 1.00 0.00 N ATOM 0 H HIS A 50 -18.943 -20.657 7.975 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.742 -18.961 5.655 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.107 -19.187 7.185 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.482 -17.993 5.958 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.183 -18.631 9.742 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.277 -15.128 8.664 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -19.555 -16.574 10.652 1.00 0.00 H new ATOM 795 N LYS A 51 -18.197 -20.060 3.907 1.00 0.00 N ATOM 796 CA LYS A 51 -17.562 -20.930 2.878 1.00 0.00 C ATOM 797 C LYS A 51 -16.705 -20.079 1.939 1.00 0.00 C ATOM 798 O LYS A 51 -17.065 -18.975 1.582 1.00 0.00 O ATOM 799 CB LYS A 51 -18.652 -21.638 2.069 1.00 0.00 C ATOM 800 CG LYS A 51 -19.509 -22.493 3.006 1.00 0.00 C ATOM 801 CD LYS A 51 -20.431 -23.390 2.177 1.00 0.00 C ATOM 802 CE LYS A 51 -21.338 -22.520 1.304 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.420 -23.362 0.718 1.00 0.00 N ATOM 0 H LYS A 51 -18.519 -19.152 3.571 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.931 -21.670 3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.275 -20.904 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.200 -22.264 1.300 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.870 -23.102 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.100 -21.853 3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.840 -24.059 1.552 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.033 -24.017 2.834 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.770 -21.716 1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.756 -22.052 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.037 -22.771 0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.998 -24.115 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.981 -23.788 1.483 1.00 0.00 H new ATOM 817 N ARG A 52 -15.572 -20.586 1.535 1.00 0.00 N ATOM 818 CA ARG A 52 -14.692 -19.809 0.617 1.00 0.00 C ATOM 819 C ARG A 52 -14.374 -20.657 -0.617 1.00 0.00 C ATOM 820 O ARG A 52 -14.481 -21.867 -0.595 1.00 0.00 O ATOM 821 CB ARG A 52 -13.391 -19.452 1.339 1.00 0.00 C ATOM 822 CG ARG A 52 -13.695 -18.488 2.489 1.00 0.00 C ATOM 823 CD ARG A 52 -12.384 -17.917 3.034 1.00 0.00 C ATOM 824 NE ARG A 52 -11.840 -16.919 2.071 1.00 0.00 N ATOM 825 CZ ARG A 52 -11.595 -15.699 2.464 1.00 0.00 C ATOM 826 NH1 ARG A 52 -11.257 -15.467 3.703 1.00 0.00 N ATOM 827 NH2 ARG A 52 -11.691 -14.710 1.618 1.00 0.00 N ATOM 0 H ARG A 52 -15.218 -21.505 1.801 1.00 0.00 H new ATOM 0 HA ARG A 52 -15.200 -18.894 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.916 -20.355 1.723 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.689 -18.994 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.339 -17.681 2.141 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.235 -19.008 3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.554 -17.448 4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.662 -18.719 3.190 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.659 -17.189 1.104 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.184 -16.240 4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.066 -14.513 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.957 -14.891 0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.500 -13.756 1.925 1.00 0.00 H new ATOM 841 N LEU A 53 -13.988 -20.033 -1.696 1.00 0.00 N ATOM 842 CA LEU A 53 -13.669 -20.807 -2.929 1.00 0.00 C ATOM 843 C LEU A 53 -12.245 -20.479 -3.385 1.00 0.00 C ATOM 844 O LEU A 53 -11.881 -19.331 -3.541 1.00 0.00 O ATOM 845 CB LEU A 53 -14.657 -20.434 -4.035 1.00 0.00 C ATOM 846 CG LEU A 53 -14.402 -21.309 -5.264 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.848 -22.743 -4.969 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.195 -20.762 -6.453 1.00 0.00 C ATOM 0 H LEU A 53 -13.880 -19.022 -1.777 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.746 -21.874 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.680 -20.570 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.547 -19.381 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.338 -21.301 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.667 -23.368 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.284 -23.133 -4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.912 -22.752 -4.731 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -15.014 -21.385 -7.329 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.259 -20.770 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.878 -19.740 -6.663 1.00 0.00 H new ATOM 860 N ILE A 54 -11.438 -21.482 -3.602 1.00 0.00 N ATOM 861 CA ILE A 54 -10.039 -21.230 -4.049 1.00 0.00 C ATOM 862 C ILE A 54 -9.840 -21.816 -5.447 1.00 0.00 C ATOM 863 O ILE A 54 -10.006 -23.000 -5.664 1.00 0.00 O ATOM 864 CB ILE A 54 -9.064 -21.893 -3.074 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.293 -21.339 -1.666 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.628 -21.598 -3.511 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.337 -22.024 -0.688 1.00 0.00 C ATOM 0 H ILE A 54 -11.687 -22.465 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.852 -20.156 -4.074 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.230 -22.970 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.130 -20.261 -1.656 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.326 -21.508 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.932 -22.070 -2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.464 -21.993 -4.514 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.463 -20.521 -3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.499 -21.630 0.315 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.522 -23.098 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.308 -21.832 -0.991 1.00 0.00 H new ATOM 879 N ASP A 55 -9.485 -20.997 -6.400 1.00 0.00 N ATOM 880 CA ASP A 55 -9.276 -21.509 -7.783 1.00 0.00 C ATOM 881 C ASP A 55 -7.822 -21.953 -7.949 1.00 0.00 C ATOM 882 O ASP A 55 -6.916 -21.367 -7.392 1.00 0.00 O ATOM 883 CB ASP A 55 -9.589 -20.400 -8.790 1.00 0.00 C ATOM 884 CG ASP A 55 -11.078 -20.054 -8.721 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.815 -20.812 -8.112 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.456 -19.036 -9.277 1.00 0.00 O ATOM 0 H ASP A 55 -9.331 -19.996 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.937 -22.358 -7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.989 -19.516 -8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.326 -20.724 -9.797 1.00 0.00 H new ATOM 891 N ILE A 56 -7.591 -22.984 -8.716 1.00 0.00 N ATOM 892 CA ILE A 56 -6.195 -23.464 -8.919 1.00 0.00 C ATOM 893 C ILE A 56 -5.893 -23.526 -10.417 1.00 0.00 C ATOM 894 O ILE A 56 -6.616 -24.133 -11.182 1.00 0.00 O ATOM 895 CB ILE A 56 -6.041 -24.860 -8.309 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.335 -24.798 -6.809 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.611 -25.357 -8.529 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.197 -26.196 -6.204 1.00 0.00 C ATOM 0 H ILE A 56 -8.309 -23.514 -9.210 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.500 -22.778 -8.435 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.742 -25.545 -8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.646 -24.109 -6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.341 -24.415 -6.640 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.500 -26.351 -8.095 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.402 -25.402 -9.598 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.910 -24.672 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.406 -26.152 -5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.904 -26.872 -6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.182 -26.561 -6.360 1.00 0.00 H new ATOM 910 N ILE A 57 -4.830 -22.901 -10.844 1.00 0.00 N ATOM 911 CA ILE A 57 -4.485 -22.923 -12.293 1.00 0.00 C ATOM 912 C ILE A 57 -3.257 -23.808 -12.514 1.00 0.00 C ATOM 913 O ILE A 57 -2.331 -23.808 -11.728 1.00 0.00 O ATOM 914 CB ILE A 57 -4.180 -21.501 -12.768 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.377 -20.595 -12.469 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.913 -21.513 -14.274 1.00 0.00 C ATOM 917 CD1 ILE A 57 -5.028 -19.152 -12.838 1.00 0.00 C ATOM 0 H ILE A 57 -4.186 -22.376 -10.252 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.327 -23.322 -12.859 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.300 -21.124 -12.246 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.248 -20.926 -13.035 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.640 -20.658 -11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.696 -20.500 -14.613 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.060 -22.158 -14.487 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.792 -21.890 -14.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.880 -18.506 -12.625 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.169 -18.824 -12.252 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.786 -19.096 -13.899 1.00 0.00 H new ATOM 929 N ASP A 58 -3.243 -24.562 -13.579 1.00 0.00 N ATOM 930 CA ASP A 58 -2.074 -25.446 -13.852 1.00 0.00 C ATOM 931 C ASP A 58 -1.795 -26.318 -12.627 1.00 0.00 C ATOM 932 O ASP A 58 -0.736 -26.251 -12.035 1.00 0.00 O ATOM 933 CB ASP A 58 -0.846 -24.585 -14.157 1.00 0.00 C ATOM 934 CG ASP A 58 0.008 -25.276 -15.224 1.00 0.00 C ATOM 935 OD1 ASP A 58 -0.546 -25.660 -16.241 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.201 -25.409 -15.004 1.00 0.00 O ATOM 0 H ASP A 58 -3.990 -24.604 -14.272 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.293 -26.084 -14.708 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.156 -23.600 -14.506 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.261 -24.432 -13.250 1.00 0.00 H new ATOM 941 N PRO A 59 -2.771 -27.155 -12.243 1.00 0.00 N ATOM 942 CA PRO A 59 -2.639 -28.050 -11.087 1.00 0.00 C ATOM 943 C PRO A 59 -1.635 -29.176 -11.353 1.00 0.00 C ATOM 944 O PRO A 59 -1.511 -29.663 -12.459 1.00 0.00 O ATOM 945 CB PRO A 59 -4.044 -28.632 -10.924 1.00 0.00 C ATOM 946 CG PRO A 59 -4.651 -28.533 -12.282 1.00 0.00 C ATOM 947 CD PRO A 59 -4.078 -27.293 -12.908 1.00 0.00 C ATOM 0 HA PRO A 59 -2.274 -27.527 -10.203 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -4.008 -29.666 -10.580 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.622 -28.072 -10.189 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.416 -29.414 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.737 -28.471 -12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.972 -27.399 -13.988 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.712 -26.424 -12.734 1.00 0.00 H new ATOM 955 N SER A 60 -0.915 -29.593 -10.346 1.00 0.00 N ATOM 956 CA SER A 60 0.080 -30.683 -10.544 1.00 0.00 C ATOM 957 C SER A 60 -0.052 -31.707 -9.413 1.00 0.00 C ATOM 958 O SER A 60 -0.694 -31.459 -8.411 1.00 0.00 O ATOM 959 CB SER A 60 1.491 -30.093 -10.534 1.00 0.00 C ATOM 960 OG SER A 60 1.435 -28.738 -10.112 1.00 0.00 O ATOM 0 H SER A 60 -0.974 -29.226 -9.396 1.00 0.00 H new ATOM 0 HA SER A 60 -0.103 -31.172 -11.501 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.132 -30.667 -9.865 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.931 -30.157 -11.529 1.00 0.00 H new ATOM 0 HG SER A 60 2.339 -28.360 -10.104 1.00 0.00 H new ATOM 966 N PRO A 61 0.576 -32.879 -9.581 1.00 0.00 N ATOM 967 CA PRO A 61 0.536 -33.953 -8.580 1.00 0.00 C ATOM 968 C PRO A 61 1.293 -33.566 -7.307 1.00 0.00 C ATOM 969 O PRO A 61 1.034 -34.082 -6.237 1.00 0.00 O ATOM 970 CB PRO A 61 1.236 -35.120 -9.278 1.00 0.00 C ATOM 971 CG PRO A 61 2.117 -34.472 -10.291 1.00 0.00 C ATOM 972 CD PRO A 61 1.377 -33.252 -10.760 1.00 0.00 C ATOM 0 HA PRO A 61 -0.481 -34.183 -8.262 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.814 -35.716 -8.572 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.517 -35.791 -9.748 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.079 -34.202 -9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.321 -35.148 -11.121 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.059 -32.454 -11.054 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.748 -33.468 -11.624 1.00 0.00 H new ATOM 980 N LYS A 62 2.224 -32.659 -7.414 1.00 0.00 N ATOM 981 CA LYS A 62 2.993 -32.237 -6.211 1.00 0.00 C ATOM 982 C LYS A 62 2.050 -31.535 -5.231 1.00 0.00 C ATOM 983 O LYS A 62 2.293 -31.494 -4.042 1.00 0.00 O ATOM 984 CB LYS A 62 4.106 -31.273 -6.627 1.00 0.00 C ATOM 985 CG LYS A 62 5.071 -31.988 -7.575 1.00 0.00 C ATOM 986 CD LYS A 62 6.225 -31.048 -7.932 1.00 0.00 C ATOM 987 CE LYS A 62 7.119 -31.713 -8.981 1.00 0.00 C ATOM 988 NZ LYS A 62 7.581 -30.688 -9.959 1.00 0.00 N ATOM 0 H LYS A 62 2.485 -32.192 -8.282 1.00 0.00 H new ATOM 0 HA LYS A 62 3.433 -33.112 -5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.680 -30.398 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.641 -30.917 -5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.457 -32.892 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.547 -32.298 -8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.835 -30.105 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.806 -30.813 -7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.976 -32.184 -8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.570 -32.501 -9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.189 -31.138 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.757 -30.258 -10.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.120 -29.951 -9.461 1.00 0.00 H new ATOM 1002 N THR A 63 0.974 -30.984 -5.723 1.00 0.00 N ATOM 1003 CA THR A 63 0.016 -30.287 -4.820 1.00 0.00 C ATOM 1004 C THR A 63 -0.746 -31.325 -3.992 1.00 0.00 C ATOM 1005 O THR A 63 -0.978 -31.144 -2.813 1.00 0.00 O ATOM 1006 CB THR A 63 -0.974 -29.472 -5.654 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.256 -28.608 -6.525 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.864 -28.643 -4.728 1.00 0.00 C ATOM 0 H THR A 63 0.717 -30.987 -6.710 1.00 0.00 H new ATOM 0 HA THR A 63 0.563 -29.619 -4.155 1.00 0.00 H new ATOM 0 HB THR A 63 -1.597 -30.146 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.756 -27.774 -6.644 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.569 -28.063 -5.324 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.414 -29.307 -4.061 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.245 -27.967 -4.138 1.00 0.00 H new ATOM 1016 N ILE A 64 -1.132 -32.413 -4.601 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.875 -33.462 -3.848 1.00 0.00 C ATOM 1018 C ILE A 64 -0.971 -34.041 -2.759 1.00 0.00 C ATOM 1019 O ILE A 64 -1.399 -34.289 -1.649 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.296 -34.578 -4.808 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.187 -33.997 -5.908 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -3.072 -35.647 -4.036 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.437 -35.062 -6.977 1.00 0.00 C ATOM 0 H ILE A 64 -0.965 -32.620 -5.586 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.762 -33.023 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.409 -35.024 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -4.134 -33.662 -5.485 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.710 -33.124 -6.354 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.372 -36.442 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.438 -36.062 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.959 -35.200 -3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.072 -34.649 -7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.486 -35.375 -7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.932 -35.922 -6.525 1.00 0.00 H new ATOM 1035 N ASP A 65 0.280 -34.257 -3.066 1.00 0.00 N ATOM 1036 CA ASP A 65 1.211 -34.819 -2.047 1.00 0.00 C ATOM 1037 C ASP A 65 1.323 -33.845 -0.871 1.00 0.00 C ATOM 1038 O ASP A 65 1.323 -34.240 0.277 1.00 0.00 O ATOM 1039 CB ASP A 65 2.590 -35.026 -2.674 1.00 0.00 C ATOM 1040 CG ASP A 65 2.505 -36.116 -3.744 1.00 0.00 C ATOM 1041 OD1 ASP A 65 1.502 -36.810 -3.774 1.00 0.00 O ATOM 1042 OD2 ASP A 65 3.443 -36.238 -4.513 1.00 0.00 O ATOM 0 H ASP A 65 0.697 -34.069 -3.978 1.00 0.00 H new ATOM 0 HA ASP A 65 0.829 -35.776 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.944 -34.095 -3.116 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.311 -35.309 -1.907 1.00 0.00 H new ATOM 1047 N ALA A 66 1.420 -32.573 -1.149 1.00 0.00 N ATOM 1048 CA ALA A 66 1.530 -31.577 -0.047 1.00 0.00 C ATOM 1049 C ALA A 66 0.230 -31.570 0.761 1.00 0.00 C ATOM 1050 O ALA A 66 0.240 -31.449 1.970 1.00 0.00 O ATOM 1051 CB ALA A 66 1.773 -30.187 -0.637 1.00 0.00 C ATOM 0 H ALA A 66 1.428 -32.182 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 66 2.363 -31.844 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.853 -29.458 0.170 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.698 -30.193 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.941 -29.917 -1.288 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.888 -31.700 0.102 1.00 0.00 N ATOM 1058 CA LEU A 67 -2.188 -31.703 0.830 1.00 0.00 C ATOM 1059 C LEU A 67 -2.253 -32.927 1.746 1.00 0.00 C ATOM 1060 O LEU A 67 -2.740 -32.858 2.858 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.337 -31.759 -0.178 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.672 -31.673 0.565 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.673 -30.441 1.472 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.813 -31.561 -0.448 1.00 0.00 C ATOM 0 H LEU A 67 -0.958 -31.804 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.274 -30.795 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.251 -30.938 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.287 -32.684 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.809 -32.569 1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.624 -30.380 2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.860 -30.520 2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.536 -29.544 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.764 -31.500 0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.676 -30.665 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.813 -32.439 -1.094 1.00 0.00 H new ATOM 1076 N MET A 68 -1.765 -34.048 1.289 1.00 0.00 N ATOM 1077 CA MET A 68 -1.797 -35.276 2.132 1.00 0.00 C ATOM 1078 C MET A 68 -0.838 -35.109 3.313 1.00 0.00 C ATOM 1079 O MET A 68 -1.046 -35.659 4.377 1.00 0.00 O ATOM 1080 CB MET A 68 -1.366 -36.480 1.294 1.00 0.00 C ATOM 1081 CG MET A 68 -2.487 -36.852 0.320 1.00 0.00 C ATOM 1082 SD MET A 68 -2.062 -38.393 -0.530 1.00 0.00 S ATOM 1083 CE MET A 68 -0.467 -37.853 -1.194 1.00 0.00 C ATOM 0 H MET A 68 -1.345 -34.166 0.367 1.00 0.00 H new ATOM 0 HA MET A 68 -2.809 -35.435 2.504 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.455 -36.246 0.744 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.138 -37.326 1.943 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.427 -36.969 0.859 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.633 -36.052 -0.406 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.152 -38.535 -1.983 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.564 -36.847 -1.602 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.277 -37.851 -0.397 1.00 0.00 H new ATOM 1093 N ARG A 69 0.212 -34.355 3.134 1.00 0.00 N ATOM 1094 CA ARG A 69 1.183 -34.154 4.246 1.00 0.00 C ATOM 1095 C ARG A 69 0.586 -33.200 5.282 1.00 0.00 C ATOM 1096 O ARG A 69 0.896 -33.268 6.455 1.00 0.00 O ATOM 1097 CB ARG A 69 2.478 -33.559 3.690 1.00 0.00 C ATOM 1098 CG ARG A 69 3.171 -34.592 2.798 1.00 0.00 C ATOM 1099 CD ARG A 69 4.485 -34.012 2.272 1.00 0.00 C ATOM 1100 NE ARG A 69 5.028 -34.901 1.207 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.150 -35.539 1.399 1.00 0.00 C ATOM 1102 NH1 ARG A 69 7.226 -34.882 1.735 1.00 0.00 N ATOM 1103 NH2 ARG A 69 6.196 -36.835 1.254 1.00 0.00 N ATOM 0 H ARG A 69 0.439 -33.870 2.266 1.00 0.00 H new ATOM 0 HA ARG A 69 1.397 -35.113 4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.260 -32.657 3.119 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.137 -33.267 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.364 -35.504 3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.522 -34.863 1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.320 -33.010 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.205 -33.918 3.085 1.00 0.00 H new ATOM 0 HE ARG A 69 4.523 -35.011 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.191 -33.869 1.848 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.103 -35.382 1.885 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.355 -37.349 0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 69 7.073 -37.334 1.404 1.00 0.00 H new ATOM 1117 N ILE A 70 -0.271 -32.311 4.860 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.887 -31.354 5.821 1.00 0.00 C ATOM 1119 C ILE A 70 -2.376 -31.674 5.976 1.00 0.00 C ATOM 1120 O ILE A 70 -3.071 -31.923 5.011 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.724 -29.927 5.295 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.759 -29.634 5.063 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.286 -28.938 6.318 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.910 -28.271 4.385 1.00 0.00 C ATOM 0 H ILE A 70 -0.571 -32.206 3.891 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.394 -31.443 6.789 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.265 -29.823 4.355 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.295 -29.641 6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.201 -30.412 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.170 -27.921 5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.343 -29.146 6.482 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.746 -29.042 7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.967 -28.062 4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.388 -28.281 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.483 -27.498 5.023 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.870 -31.671 7.184 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.313 -31.976 7.400 1.00 0.00 C ATOM 1138 C ASN A 71 -5.035 -30.715 7.877 1.00 0.00 C ATOM 1139 O ASN A 71 -4.597 -30.045 8.790 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.448 -33.074 8.457 1.00 0.00 C ATOM 1141 CG ASN A 71 -5.885 -33.599 8.467 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -6.628 -33.388 7.530 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -6.310 -34.280 9.497 1.00 0.00 N ATOM 0 H ASN A 71 -2.337 -31.471 8.030 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.758 -32.316 6.465 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.754 -33.887 8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.186 -32.682 9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.266 -34.635 9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.686 -34.457 10.284 1.00 0.00 H new ATOM 1150 N LEU A 72 -6.142 -30.387 7.267 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.892 -29.170 7.688 1.00 0.00 C ATOM 1152 C LEU A 72 -7.217 -29.264 9.180 1.00 0.00 C ATOM 1153 O LEU A 72 -7.348 -30.340 9.729 1.00 0.00 O ATOM 1154 CB LEU A 72 -8.192 -29.070 6.887 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.070 -27.947 5.856 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -7.599 -28.530 4.522 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -9.434 -27.279 5.665 1.00 0.00 C ATOM 0 H LEU A 72 -6.559 -30.909 6.496 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.283 -28.285 7.504 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.397 -30.017 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.030 -28.875 7.556 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.349 -27.209 6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.512 -27.731 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.628 -29.008 4.656 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.321 -29.268 4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.347 -26.479 4.930 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.155 -28.017 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.772 -26.865 6.615 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.347 -28.107 9.846 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.657 -28.049 11.281 1.00 0.00 C ATOM 1171 C PRO A 73 -9.088 -28.512 11.573 1.00 0.00 C ATOM 1172 O PRO A 73 -9.973 -28.379 10.752 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.508 -26.565 11.619 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.743 -25.861 10.325 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.203 -26.766 9.254 1.00 0.00 C ATOM 0 HA PRO A 73 -7.009 -28.701 11.867 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.229 -26.256 12.376 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.517 -26.346 12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.805 -25.668 10.173 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.239 -24.895 10.310 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.766 -26.673 8.326 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.163 -26.538 9.020 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.320 -29.053 12.738 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.691 -29.524 13.081 1.00 0.00 C ATOM 1185 C ALA A 74 -11.670 -28.350 12.993 1.00 0.00 C ATOM 1186 O ALA A 74 -11.313 -27.213 13.230 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.695 -30.086 14.504 1.00 0.00 C ATOM 0 H ALA A 74 -8.619 -29.189 13.467 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.994 -30.303 12.382 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.698 -30.431 14.756 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.997 -30.921 14.567 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.393 -29.307 15.204 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.900 -28.617 12.653 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.900 -27.516 12.549 1.00 0.00 C ATOM 1195 C GLY A 75 -13.960 -27.014 11.104 1.00 0.00 C ATOM 1196 O GLY A 75 -14.685 -26.091 10.789 1.00 0.00 O ATOM 0 H GLY A 75 -13.257 -29.549 12.443 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.882 -27.871 12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.628 -26.699 13.218 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.205 -27.611 10.223 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.222 -27.164 8.802 1.00 0.00 C ATOM 1202 C VAL A 76 -13.485 -28.366 7.893 1.00 0.00 C ATOM 1203 O VAL A 76 -13.092 -29.477 8.187 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.871 -26.541 8.446 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.931 -25.968 7.028 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.549 -25.420 9.435 1.00 0.00 C ATOM 0 H VAL A 76 -12.577 -28.389 10.426 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.010 -26.424 8.664 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.095 -27.305 8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.969 -25.524 6.774 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.160 -26.767 6.322 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.708 -25.205 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.586 -24.976 9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.325 -24.656 9.385 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.506 -25.827 10.445 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.147 -28.151 6.788 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.434 -29.282 5.860 1.00 0.00 C ATOM 1218 C ASP A 77 -13.899 -28.945 4.467 1.00 0.00 C ATOM 1219 O ASP A 77 -13.754 -27.793 4.110 1.00 0.00 O ATOM 1220 CB ASP A 77 -15.945 -29.509 5.785 1.00 0.00 C ATOM 1221 CG ASP A 77 -16.237 -30.706 4.877 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -15.335 -31.500 4.669 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.358 -30.808 4.406 1.00 0.00 O ATOM 0 H ASP A 77 -14.501 -27.242 6.488 1.00 0.00 H new ATOM 0 HA ASP A 77 -13.949 -30.186 6.227 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.346 -29.689 6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.439 -28.617 5.399 1.00 0.00 H new