USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 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 28 TYR OH : rot -90:sc= -5.66! USER MOD Set 1.2: A 116 LYS NZ :NH3+ 157:sc= -0.286 (180deg=-1.39) USER MOD Set 2.1: A 35 ASN : amide:sc= -2.15! C(o=-2.2!,f=-7.4!) USER MOD Set 2.2: A 38 GLN :FLIP amide:sc= -0.0654 F(o=-3.1,f=-2.2) USER MOD Set 3.1: A 20 ASN : amide:sc= -0.766 K(o=-2.1,f=-4.8!) USER MOD Set 3.2: A 24 ASN :FLIP amide:sc= -1.34 F(o=-4.5!,f=-2.1) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0547 X(o=-0.055,f=-0.0073) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.206 K(o=-0.21,f=-0.87) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 77:sc= 0.399 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 175:sc= -12.2! (180deg=-12.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -115:sc= -8.26! (180deg=-15.4!) USER MOD Single : A 70 LYS NZ :NH3+ -166:sc= -1.4 (180deg=-1.45) USER MOD Single : A 75 ASN : amide:sc= -0.0666 K(o=-0.067,f=-0.73) USER MOD Single : A 81 MET CE :methyl -157:sc= -2.9! (180deg=-4.37!) USER MOD Single : A 82 THR OG1 : rot -150:sc= -0.112 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0748 USER MOD Single : A 101 HIS : no HE2:sc= -39! C(o=-39!,f=-42!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 51 N GLU A 4 2.928 -11.492 -1.764 1.00 0.00 N ATOM 52 CA GLU A 4 2.338 -10.343 -1.020 1.00 0.00 C ATOM 53 C GLU A 4 3.344 -9.190 -0.982 1.00 0.00 C ATOM 54 O GLU A 4 3.692 -8.693 0.071 1.00 0.00 O ATOM 55 CB GLU A 4 2.006 -10.778 0.409 1.00 0.00 C ATOM 56 CG GLU A 4 0.492 -10.937 0.555 1.00 0.00 C ATOM 57 CD GLU A 4 0.064 -12.297 0.000 1.00 0.00 C ATOM 58 OE1 GLU A 4 0.308 -13.290 0.666 1.00 0.00 O ATOM 59 OE2 GLU A 4 -0.499 -12.322 -1.081 1.00 0.00 O ATOM 0 HA GLU A 4 1.427 -10.014 -1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.505 -11.719 0.639 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.375 -10.039 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.207 -10.855 1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.021 -10.137 0.021 1.00 0.00 H new ATOM 66 N LYS A 5 3.811 -8.760 -2.121 1.00 0.00 N ATOM 67 CA LYS A 5 4.793 -7.639 -2.149 1.00 0.00 C ATOM 68 C LYS A 5 4.298 -6.552 -3.104 1.00 0.00 C ATOM 69 O LYS A 5 4.259 -6.738 -4.304 1.00 0.00 O ATOM 70 CB LYS A 5 6.150 -8.160 -2.627 1.00 0.00 C ATOM 71 CG LYS A 5 6.855 -8.881 -1.477 1.00 0.00 C ATOM 72 CD LYS A 5 6.580 -10.384 -1.572 1.00 0.00 C ATOM 73 CE LYS A 5 7.905 -11.147 -1.561 1.00 0.00 C ATOM 74 NZ LYS A 5 8.073 -11.833 -0.248 1.00 0.00 N ATOM 0 H LYS A 5 3.555 -9.136 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 5 4.897 -7.222 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.014 -8.840 -3.468 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.764 -7.333 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.928 -8.693 -1.519 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.501 -8.495 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 5 5.957 -10.704 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.028 -10.606 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.923 -11.877 -2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.734 -10.460 -1.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.974 -12.352 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.074 -11.127 0.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.288 -12.500 -0.102 1.00 0.00 H new ATOM 88 N ILE A 6 3.920 -5.417 -2.582 1.00 0.00 N ATOM 89 CA ILE A 6 3.427 -4.320 -3.461 1.00 0.00 C ATOM 90 C ILE A 6 4.209 -3.039 -3.166 1.00 0.00 C ATOM 91 O ILE A 6 4.786 -2.882 -2.108 1.00 0.00 O ATOM 92 CB ILE A 6 1.940 -4.081 -3.196 1.00 0.00 C ATOM 93 CG1 ILE A 6 1.208 -5.424 -3.152 1.00 0.00 C ATOM 94 CG2 ILE A 6 1.352 -3.219 -4.316 1.00 0.00 C ATOM 95 CD1 ILE A 6 -0.281 -5.187 -2.895 1.00 0.00 C ATOM 0 H ILE A 6 3.931 -5.202 -1.585 1.00 0.00 H new ATOM 0 HA ILE A 6 3.569 -4.601 -4.505 1.00 0.00 H new ATOM 0 HB ILE A 6 1.820 -3.568 -2.242 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.345 -5.956 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.628 -6.053 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.292 -3.049 -4.126 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.872 -2.262 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.472 -3.731 -5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.802 -6.144 -2.864 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.409 -4.673 -1.942 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.695 -4.574 -3.696 1.00 0.00 H new ATOM 107 N LEU A 7 4.234 -2.121 -4.093 1.00 0.00 N ATOM 108 CA LEU A 7 4.977 -0.851 -3.865 1.00 0.00 C ATOM 109 C LEU A 7 4.095 0.334 -4.262 1.00 0.00 C ATOM 110 O LEU A 7 3.545 0.374 -5.344 1.00 0.00 O ATOM 111 CB LEU A 7 6.250 -0.849 -4.716 1.00 0.00 C ATOM 112 CG LEU A 7 7.180 0.273 -4.249 1.00 0.00 C ATOM 113 CD1 LEU A 7 6.564 1.629 -4.594 1.00 0.00 C ATOM 114 CD2 LEU A 7 7.378 0.174 -2.734 1.00 0.00 C ATOM 0 H LEU A 7 3.771 -2.196 -4.999 1.00 0.00 H new ATOM 0 HA LEU A 7 5.243 -0.767 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.755 -1.811 -4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.996 -0.711 -5.767 1.00 0.00 H new ATOM 0 HG LEU A 7 8.143 0.176 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.228 2.426 -4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.424 1.701 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.600 1.728 -4.096 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.040 0.973 -2.401 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.414 0.269 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.821 -0.791 -2.487 1.00 0.00 H new ATOM 126 N ILE A 8 3.956 1.299 -3.397 1.00 0.00 N ATOM 127 CA ILE A 8 3.110 2.479 -3.727 1.00 0.00 C ATOM 128 C ILE A 8 4.007 3.686 -4.012 1.00 0.00 C ATOM 129 O ILE A 8 4.562 4.285 -3.113 1.00 0.00 O ATOM 130 CB ILE A 8 2.190 2.795 -2.546 1.00 0.00 C ATOM 131 CG1 ILE A 8 1.449 1.524 -2.124 1.00 0.00 C ATOM 132 CG2 ILE A 8 1.176 3.862 -2.959 1.00 0.00 C ATOM 133 CD1 ILE A 8 0.327 1.885 -1.150 1.00 0.00 C ATOM 0 H ILE A 8 4.392 1.322 -2.475 1.00 0.00 H new ATOM 0 HA ILE A 8 2.507 2.258 -4.608 1.00 0.00 H new ATOM 0 HB ILE A 8 2.785 3.164 -1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 8 1.037 1.023 -3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.142 0.826 -1.654 1.00 0.00 H new ATOM 0 HG21 ILE A 8 0.521 4.087 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.703 4.767 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.580 3.494 -3.794 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.200 0.979 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.751 2.367 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.371 2.567 -1.636 1.00 0.00 H new ATOM 145 N VAL A 9 4.155 4.045 -5.259 1.00 0.00 N ATOM 146 CA VAL A 9 5.019 5.211 -5.599 1.00 0.00 C ATOM 147 C VAL A 9 4.176 6.488 -5.597 1.00 0.00 C ATOM 148 O VAL A 9 3.906 7.067 -6.630 1.00 0.00 O ATOM 149 CB VAL A 9 5.629 5.006 -6.986 1.00 0.00 C ATOM 150 CG1 VAL A 9 6.801 5.971 -7.177 1.00 0.00 C ATOM 151 CG2 VAL A 9 6.131 3.566 -7.114 1.00 0.00 C ATOM 0 H VAL A 9 3.716 3.582 -6.055 1.00 0.00 H new ATOM 0 HA VAL A 9 5.816 5.300 -4.861 1.00 0.00 H new ATOM 0 HB VAL A 9 4.872 5.198 -7.747 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.236 5.824 -8.166 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.446 6.997 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.558 5.779 -6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.566 3.419 -8.103 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.887 3.375 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.298 2.877 -6.978 1.00 0.00 H new ATOM 161 N ASP A 10 3.758 6.931 -4.443 1.00 0.00 N ATOM 162 CA ASP A 10 2.934 8.171 -4.375 1.00 0.00 C ATOM 163 C ASP A 10 3.615 9.187 -3.456 1.00 0.00 C ATOM 164 O ASP A 10 4.292 8.829 -2.513 1.00 0.00 O ATOM 165 CB ASP A 10 1.548 7.832 -3.820 1.00 0.00 C ATOM 166 CG ASP A 10 0.483 8.613 -4.592 1.00 0.00 C ATOM 167 OD1 ASP A 10 0.145 8.193 -5.687 1.00 0.00 O ATOM 168 OD2 ASP A 10 0.025 9.618 -4.077 1.00 0.00 O ATOM 0 H ASP A 10 3.951 6.488 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 10 2.833 8.595 -5.374 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.362 6.761 -3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.499 8.080 -2.760 1.00 0.00 H new ATOM 173 N ASP A 11 3.443 10.452 -3.724 1.00 0.00 N ATOM 174 CA ASP A 11 4.083 11.489 -2.866 1.00 0.00 C ATOM 175 C ASP A 11 2.999 12.313 -2.168 1.00 0.00 C ATOM 176 O ASP A 11 3.118 12.658 -1.009 1.00 0.00 O ATOM 177 CB ASP A 11 4.944 12.409 -3.735 1.00 0.00 C ATOM 178 CG ASP A 11 4.040 13.305 -4.583 1.00 0.00 C ATOM 179 OD1 ASP A 11 3.478 12.806 -5.544 1.00 0.00 O ATOM 180 OD2 ASP A 11 3.927 14.476 -4.258 1.00 0.00 O ATOM 0 H ASP A 11 2.887 10.813 -4.500 1.00 0.00 H new ATOM 0 HA ASP A 11 4.710 11.005 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 11 5.592 13.020 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.593 11.816 -4.379 1.00 0.00 H new ATOM 185 N GLN A 12 1.942 12.631 -2.864 1.00 0.00 N ATOM 186 CA GLN A 12 0.852 13.432 -2.240 1.00 0.00 C ATOM 187 C GLN A 12 0.238 12.644 -1.082 1.00 0.00 C ATOM 188 O GLN A 12 -0.406 11.632 -1.278 1.00 0.00 O ATOM 189 CB GLN A 12 -0.226 13.729 -3.285 1.00 0.00 C ATOM 190 CG GLN A 12 -1.179 14.798 -2.746 1.00 0.00 C ATOM 191 CD GLN A 12 -2.625 14.331 -2.926 1.00 0.00 C ATOM 192 OE1 GLN A 12 -3.432 15.028 -3.508 1.00 0.00 O ATOM 193 NE2 GLN A 12 -2.988 13.172 -2.448 1.00 0.00 N ATOM 0 H GLN A 12 1.786 12.371 -3.838 1.00 0.00 H new ATOM 0 HA GLN A 12 1.261 14.370 -1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.235 14.072 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.779 12.820 -3.521 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.974 14.984 -1.692 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.022 15.739 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.310 12.587 -1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.949 12.851 -2.563 1.00 0.00 H new ATOM 202 N TYR A 13 0.432 13.099 0.126 1.00 0.00 N ATOM 203 CA TYR A 13 -0.141 12.376 1.297 1.00 0.00 C ATOM 204 C TYR A 13 -1.620 12.082 1.041 1.00 0.00 C ATOM 205 O TYR A 13 -2.387 12.960 0.695 1.00 0.00 O ATOM 206 CB TYR A 13 -0.002 13.244 2.549 1.00 0.00 C ATOM 207 CG TYR A 13 -0.300 12.414 3.775 1.00 0.00 C ATOM 208 CD1 TYR A 13 0.637 11.479 4.231 1.00 0.00 C ATOM 209 CD2 TYR A 13 -1.512 12.581 4.455 1.00 0.00 C ATOM 210 CE1 TYR A 13 0.361 10.710 5.368 1.00 0.00 C ATOM 211 CE2 TYR A 13 -1.787 11.811 5.592 1.00 0.00 C ATOM 212 CZ TYR A 13 -0.851 10.876 6.048 1.00 0.00 C ATOM 213 OH TYR A 13 -1.123 10.118 7.169 1.00 0.00 O ATOM 0 H TYR A 13 0.963 13.940 0.353 1.00 0.00 H new ATOM 0 HA TYR A 13 0.395 11.438 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.006 13.653 2.610 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.687 14.091 2.495 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.572 11.351 3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.234 13.303 4.103 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.083 9.989 5.720 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.722 11.939 6.117 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.006 10.359 7.520 1.00 0.00 H new ATOM 223 N GLY A 14 -2.029 10.854 1.210 1.00 0.00 N ATOM 224 CA GLY A 14 -3.460 10.507 0.977 1.00 0.00 C ATOM 225 C GLY A 14 -3.549 9.172 0.234 1.00 0.00 C ATOM 226 O GLY A 14 -4.349 8.320 0.563 1.00 0.00 O ATOM 0 H GLY A 14 -1.435 10.077 1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.989 10.442 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.945 11.291 0.396 1.00 0.00 H new ATOM 230 N ILE A 15 -2.732 8.984 -0.766 1.00 0.00 N ATOM 231 CA ILE A 15 -2.772 7.705 -1.530 1.00 0.00 C ATOM 232 C ILE A 15 -1.924 6.655 -0.808 1.00 0.00 C ATOM 233 O ILE A 15 -2.285 5.498 -0.731 1.00 0.00 O ATOM 234 CB ILE A 15 -2.217 7.935 -2.938 1.00 0.00 C ATOM 235 CG1 ILE A 15 -3.247 8.703 -3.769 1.00 0.00 C ATOM 236 CG2 ILE A 15 -1.929 6.589 -3.607 1.00 0.00 C ATOM 237 CD1 ILE A 15 -2.528 9.708 -4.672 1.00 0.00 C ATOM 0 H ILE A 15 -2.039 9.660 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.801 7.353 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.293 8.510 -2.872 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.833 8.010 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.945 9.222 -3.113 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.534 6.758 -4.609 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.197 6.038 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.851 6.011 -3.673 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.262 10.255 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.962 10.409 -4.058 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.848 9.177 -5.338 1.00 0.00 H new ATOM 249 N ARG A 16 -0.799 7.048 -0.280 1.00 0.00 N ATOM 250 CA ARG A 16 0.068 6.071 0.434 1.00 0.00 C ATOM 251 C ARG A 16 -0.648 5.580 1.694 1.00 0.00 C ATOM 252 O ARG A 16 -0.404 4.490 2.173 1.00 0.00 O ATOM 253 CB ARG A 16 1.382 6.750 0.827 1.00 0.00 C ATOM 254 CG ARG A 16 2.534 6.138 0.027 1.00 0.00 C ATOM 255 CD ARG A 16 3.190 7.220 -0.833 1.00 0.00 C ATOM 256 NE ARG A 16 4.610 7.393 -0.415 1.00 0.00 N ATOM 257 CZ ARG A 16 4.899 8.067 0.666 1.00 0.00 C ATOM 258 NH1 ARG A 16 3.946 8.594 1.387 1.00 0.00 N ATOM 259 NH2 ARG A 16 6.145 8.214 1.028 1.00 0.00 N ATOM 0 H ARG A 16 -0.443 8.003 -0.312 1.00 0.00 H new ATOM 0 HA ARG A 16 0.277 5.224 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.321 7.821 0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.562 6.627 1.895 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.269 5.701 0.703 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.163 5.331 -0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.141 6.942 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.651 8.161 -0.726 1.00 0.00 H new ATOM 0 HE ARG A 16 5.358 6.984 -0.975 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.972 8.480 1.107 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.176 9.120 2.230 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.891 7.803 0.467 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.372 8.740 1.872 1.00 0.00 H new ATOM 273 N ILE A 17 -1.528 6.376 2.236 1.00 0.00 N ATOM 274 CA ILE A 17 -2.256 5.956 3.467 1.00 0.00 C ATOM 275 C ILE A 17 -3.550 5.235 3.083 1.00 0.00 C ATOM 276 O ILE A 17 -3.906 4.229 3.665 1.00 0.00 O ATOM 277 CB ILE A 17 -2.591 7.189 4.306 1.00 0.00 C ATOM 278 CG1 ILE A 17 -1.455 8.209 4.190 1.00 0.00 C ATOM 279 CG2 ILE A 17 -2.760 6.781 5.771 1.00 0.00 C ATOM 280 CD1 ILE A 17 -0.145 7.568 4.653 1.00 0.00 C ATOM 0 H ILE A 17 -1.775 7.299 1.880 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.625 5.280 4.045 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.518 7.633 3.943 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.361 8.549 3.159 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.677 9.087 4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.999 7.661 6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.568 6.055 5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.833 6.336 6.134 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.664 8.294 4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -0.243 7.250 5.691 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.078 6.703 4.028 1.00 0.00 H new ATOM 292 N LEU A 18 -4.262 5.742 2.115 1.00 0.00 N ATOM 293 CA LEU A 18 -5.535 5.087 1.703 1.00 0.00 C ATOM 294 C LEU A 18 -5.243 3.698 1.129 1.00 0.00 C ATOM 295 O LEU A 18 -5.747 2.701 1.605 1.00 0.00 O ATOM 296 CB LEU A 18 -6.227 5.942 0.638 1.00 0.00 C ATOM 297 CG LEU A 18 -6.740 7.234 1.275 1.00 0.00 C ATOM 298 CD1 LEU A 18 -7.056 8.254 0.180 1.00 0.00 C ATOM 299 CD2 LEU A 18 -8.010 6.937 2.076 1.00 0.00 C ATOM 0 H LEU A 18 -4.017 6.582 1.591 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.185 4.987 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.530 6.173 -0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.055 5.389 0.194 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.976 7.639 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.422 9.175 0.635 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.152 8.466 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.819 7.850 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.377 7.857 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -8.773 6.531 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.786 6.211 2.857 1.00 0.00 H new ATOM 311 N LEU A 19 -4.436 3.626 0.108 1.00 0.00 N ATOM 312 CA LEU A 19 -4.114 2.303 -0.499 1.00 0.00 C ATOM 313 C LEU A 19 -3.453 1.403 0.545 1.00 0.00 C ATOM 314 O LEU A 19 -3.523 0.193 0.471 1.00 0.00 O ATOM 315 CB LEU A 19 -3.159 2.505 -1.676 1.00 0.00 C ATOM 316 CG LEU A 19 -3.962 2.898 -2.915 1.00 0.00 C ATOM 317 CD1 LEU A 19 -4.395 4.361 -2.802 1.00 0.00 C ATOM 318 CD2 LEU A 19 -3.095 2.719 -4.163 1.00 0.00 C ATOM 0 H LEU A 19 -3.984 4.427 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.033 1.832 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.431 3.281 -1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.599 1.589 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.845 2.263 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.968 4.640 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.013 4.490 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.513 4.997 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.668 2.999 -5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.212 3.353 -4.087 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.787 1.677 -4.246 1.00 0.00 H new ATOM 330 N ASN A 20 -2.809 1.985 1.517 1.00 0.00 N ATOM 331 CA ASN A 20 -2.139 1.163 2.565 1.00 0.00 C ATOM 332 C ASN A 20 -3.197 0.445 3.409 1.00 0.00 C ATOM 333 O ASN A 20 -3.177 -0.760 3.551 1.00 0.00 O ATOM 334 CB ASN A 20 -1.300 2.070 3.467 1.00 0.00 C ATOM 335 CG ASN A 20 -0.699 1.246 4.605 1.00 0.00 C ATOM 336 OD1 ASN A 20 -0.415 0.076 4.439 1.00 0.00 O ATOM 337 ND2 ASN A 20 -0.492 1.808 5.765 1.00 0.00 N ATOM 0 H ASN A 20 -2.717 2.994 1.632 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.494 0.426 2.087 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.506 2.542 2.888 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.919 2.871 3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.092 1.265 6.531 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.730 2.790 5.906 1.00 0.00 H new ATOM 344 N GLU A 21 -4.116 1.178 3.974 1.00 0.00 N ATOM 345 CA GLU A 21 -5.170 0.540 4.812 1.00 0.00 C ATOM 346 C GLU A 21 -5.963 -0.462 3.970 1.00 0.00 C ATOM 347 O GLU A 21 -6.240 -1.565 4.398 1.00 0.00 O ATOM 348 CB GLU A 21 -6.118 1.617 5.346 1.00 0.00 C ATOM 349 CG GLU A 21 -5.416 2.414 6.448 1.00 0.00 C ATOM 350 CD GLU A 21 -5.938 3.852 6.450 1.00 0.00 C ATOM 351 OE1 GLU A 21 -6.921 4.105 5.774 1.00 0.00 O ATOM 352 OE2 GLU A 21 -5.345 4.675 7.127 1.00 0.00 O ATOM 0 H GLU A 21 -4.183 2.192 3.892 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.700 0.019 5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.421 2.283 4.538 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.025 1.157 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.595 1.950 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.338 2.407 6.286 1.00 0.00 H new ATOM 359 N VAL A 22 -6.332 -0.087 2.777 1.00 0.00 N ATOM 360 CA VAL A 22 -7.110 -1.017 1.910 1.00 0.00 C ATOM 361 C VAL A 22 -6.342 -2.330 1.741 1.00 0.00 C ATOM 362 O VAL A 22 -6.802 -3.384 2.134 1.00 0.00 O ATOM 363 CB VAL A 22 -7.327 -0.374 0.540 1.00 0.00 C ATOM 364 CG1 VAL A 22 -8.347 -1.193 -0.255 1.00 0.00 C ATOM 365 CG2 VAL A 22 -7.852 1.051 0.723 1.00 0.00 C ATOM 0 H VAL A 22 -6.129 0.823 2.364 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.075 -1.221 2.375 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.381 -0.348 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.501 -0.734 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.975 -2.209 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.293 -1.220 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.007 1.510 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.797 1.024 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.127 1.636 1.288 1.00 0.00 H new ATOM 375 N PHE A 23 -5.176 -2.276 1.159 1.00 0.00 N ATOM 376 CA PHE A 23 -4.382 -3.522 0.965 1.00 0.00 C ATOM 377 C PHE A 23 -3.908 -4.044 2.321 1.00 0.00 C ATOM 378 O PHE A 23 -3.402 -5.143 2.432 1.00 0.00 O ATOM 379 CB PHE A 23 -3.170 -3.221 0.080 1.00 0.00 C ATOM 380 CG PHE A 23 -3.635 -2.604 -1.217 1.00 0.00 C ATOM 381 CD1 PHE A 23 -4.843 -3.016 -1.795 1.00 0.00 C ATOM 382 CD2 PHE A 23 -2.860 -1.620 -1.842 1.00 0.00 C ATOM 383 CE1 PHE A 23 -5.275 -2.444 -2.998 1.00 0.00 C ATOM 384 CE2 PHE A 23 -3.291 -1.049 -3.045 1.00 0.00 C ATOM 385 CZ PHE A 23 -4.499 -1.459 -3.623 1.00 0.00 C ATOM 0 H PHE A 23 -4.739 -1.423 0.809 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.004 -4.277 0.485 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.490 -2.542 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.615 -4.138 -0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -5.441 -3.775 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.929 -1.301 -1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.206 -2.762 -3.444 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.691 -0.292 -3.528 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.832 -1.016 -4.550 1.00 0.00 H new ATOM 395 N ASN A 24 -4.069 -3.266 3.357 1.00 0.00 N ATOM 396 CA ASN A 24 -3.629 -3.722 4.706 1.00 0.00 C ATOM 397 C ASN A 24 -4.561 -4.830 5.196 1.00 0.00 C ATOM 398 O ASN A 24 -4.125 -5.894 5.587 1.00 0.00 O ATOM 399 CB ASN A 24 -3.677 -2.545 5.682 1.00 0.00 C ATOM 400 CG ASN A 24 -2.255 -2.053 5.959 1.00 0.00 C ATOM 401 OD1 ASN A 24 -1.337 -2.200 5.044 1.00 0.00 O flip ATOM 402 ND2 ASN A 24 -1.977 -1.530 7.020 1.00 0.00 N flip ATOM 0 H ASN A 24 -4.486 -2.335 3.327 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.610 -4.104 4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.278 -1.737 5.265 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.155 -2.850 6.613 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.695 -1.415 7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.026 -1.206 7.195 1.00 0.00 H new ATOM 409 N LYS A 25 -5.845 -4.591 5.174 1.00 0.00 N ATOM 410 CA LYS A 25 -6.803 -5.633 5.636 1.00 0.00 C ATOM 411 C LYS A 25 -6.907 -6.731 4.575 1.00 0.00 C ATOM 412 O LYS A 25 -7.459 -7.787 4.812 1.00 0.00 O ATOM 413 CB LYS A 25 -8.180 -5.000 5.851 1.00 0.00 C ATOM 414 CG LYS A 25 -8.775 -5.506 7.166 1.00 0.00 C ATOM 415 CD LYS A 25 -10.252 -5.115 7.243 1.00 0.00 C ATOM 416 CE LYS A 25 -10.407 -3.632 6.900 1.00 0.00 C ATOM 417 NZ LYS A 25 -11.834 -3.233 7.055 1.00 0.00 N ATOM 0 H LYS A 25 -6.270 -3.720 4.856 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.451 -6.063 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.093 -3.914 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.840 -5.250 5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.671 -6.589 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.231 -5.082 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.836 -5.722 6.551 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.639 -5.310 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.777 -3.029 7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.076 -3.448 5.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.940 -2.225 6.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.425 -3.800 6.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.135 -3.395 8.037 1.00 0.00 H new ATOM 431 N GLU A 26 -6.378 -6.490 3.407 1.00 0.00 N ATOM 432 CA GLU A 26 -6.444 -7.518 2.331 1.00 0.00 C ATOM 433 C GLU A 26 -5.380 -8.588 2.582 1.00 0.00 C ATOM 434 O GLU A 26 -5.572 -9.750 2.286 1.00 0.00 O ATOM 435 CB GLU A 26 -6.188 -6.854 0.977 1.00 0.00 C ATOM 436 CG GLU A 26 -7.498 -6.775 0.192 1.00 0.00 C ATOM 437 CD GLU A 26 -7.204 -6.380 -1.256 1.00 0.00 C ATOM 438 OE1 GLU A 26 -7.147 -5.191 -1.525 1.00 0.00 O ATOM 439 OE2 GLU A 26 -7.040 -7.272 -2.072 1.00 0.00 O ATOM 0 H GLU A 26 -5.902 -5.625 3.151 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.431 -7.980 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.778 -5.855 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.448 -7.424 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.010 -7.737 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.165 -6.045 0.651 1.00 0.00 H new ATOM 446 N GLY A 27 -4.259 -8.204 3.128 1.00 0.00 N ATOM 447 CA GLY A 27 -3.183 -9.199 3.398 1.00 0.00 C ATOM 448 C GLY A 27 -2.059 -9.024 2.376 1.00 0.00 C ATOM 449 O GLY A 27 -1.667 -9.955 1.702 1.00 0.00 O ATOM 0 H GLY A 27 -4.042 -7.245 3.399 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.795 -9.066 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.586 -10.210 3.342 1.00 0.00 H new ATOM 453 N TYR A 28 -1.537 -7.834 2.253 1.00 0.00 N ATOM 454 CA TYR A 28 -0.440 -7.598 1.273 1.00 0.00 C ATOM 455 C TYR A 28 0.626 -6.701 1.905 1.00 0.00 C ATOM 456 O TYR A 28 0.323 -5.798 2.660 1.00 0.00 O ATOM 457 CB TYR A 28 -1.006 -6.913 0.028 1.00 0.00 C ATOM 458 CG TYR A 28 -1.941 -7.857 -0.688 1.00 0.00 C ATOM 459 CD1 TYR A 28 -1.424 -8.898 -1.468 1.00 0.00 C ATOM 460 CD2 TYR A 28 -3.328 -7.690 -0.572 1.00 0.00 C ATOM 461 CE1 TYR A 28 -2.292 -9.771 -2.134 1.00 0.00 C ATOM 462 CE2 TYR A 28 -4.195 -8.565 -1.238 1.00 0.00 C ATOM 463 CZ TYR A 28 -3.678 -9.605 -2.018 1.00 0.00 C ATOM 464 OH TYR A 28 -4.532 -10.467 -2.675 1.00 0.00 O ATOM 0 H TYR A 28 -1.823 -7.015 2.789 1.00 0.00 H new ATOM 0 HA TYR A 28 0.006 -8.552 0.993 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.537 -6.004 0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.195 -6.615 -0.636 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.355 -9.028 -1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.727 -6.887 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.893 -10.573 -2.738 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.264 -8.437 -1.149 1.00 0.00 H new ATOM 0 HH TYR A 28 -4.730 -10.114 -3.567 1.00 0.00 H new ATOM 474 N GLN A 29 1.872 -6.941 1.603 1.00 0.00 N ATOM 475 CA GLN A 29 2.955 -6.099 2.185 1.00 0.00 C ATOM 476 C GLN A 29 3.299 -4.970 1.212 1.00 0.00 C ATOM 477 O GLN A 29 4.250 -5.053 0.460 1.00 0.00 O ATOM 478 CB GLN A 29 4.197 -6.960 2.427 1.00 0.00 C ATOM 479 CG GLN A 29 3.844 -8.111 3.372 1.00 0.00 C ATOM 480 CD GLN A 29 3.419 -7.547 4.729 1.00 0.00 C ATOM 481 OE1 GLN A 29 3.996 -6.592 5.210 1.00 0.00 O ATOM 482 NE2 GLN A 29 2.427 -8.100 5.370 1.00 0.00 N ATOM 0 H GLN A 29 2.187 -7.683 0.979 1.00 0.00 H new ATOM 0 HA GLN A 29 2.618 -5.675 3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 29 4.570 -7.353 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 29 4.995 -6.354 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.039 -8.710 2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.702 -8.772 3.494 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.943 -8.902 4.966 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.136 -7.731 6.275 1.00 0.00 H new ATOM 491 N THR A 30 2.530 -3.916 1.217 1.00 0.00 N ATOM 492 CA THR A 30 2.812 -2.783 0.290 1.00 0.00 C ATOM 493 C THR A 30 3.752 -1.787 0.971 1.00 0.00 C ATOM 494 O THR A 30 3.726 -1.616 2.173 1.00 0.00 O ATOM 495 CB THR A 30 1.500 -2.081 -0.070 1.00 0.00 C ATOM 496 OG1 THR A 30 1.130 -1.206 0.985 1.00 0.00 O ATOM 497 CG2 THR A 30 0.401 -3.124 -0.281 1.00 0.00 C ATOM 0 H THR A 30 1.719 -3.790 1.822 1.00 0.00 H new ATOM 0 HA THR A 30 3.282 -3.164 -0.616 1.00 0.00 H new ATOM 0 HB THR A 30 1.633 -1.509 -0.988 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.291 -0.754 0.756 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.532 -2.622 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.687 -3.795 -1.091 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.264 -3.699 0.635 1.00 0.00 H new ATOM 505 N PHE A 31 4.584 -1.129 0.211 1.00 0.00 N ATOM 506 CA PHE A 31 5.525 -0.144 0.814 1.00 0.00 C ATOM 507 C PHE A 31 5.180 1.261 0.314 1.00 0.00 C ATOM 508 O PHE A 31 4.182 1.465 -0.349 1.00 0.00 O ATOM 509 CB PHE A 31 6.958 -0.492 0.406 1.00 0.00 C ATOM 510 CG PHE A 31 7.462 -1.628 1.264 1.00 0.00 C ATOM 511 CD1 PHE A 31 6.782 -2.851 1.275 1.00 0.00 C ATOM 512 CD2 PHE A 31 8.611 -1.458 2.047 1.00 0.00 C ATOM 513 CE1 PHE A 31 7.250 -3.905 2.070 1.00 0.00 C ATOM 514 CE2 PHE A 31 9.079 -2.511 2.842 1.00 0.00 C ATOM 515 CZ PHE A 31 8.398 -3.736 2.853 1.00 0.00 C ATOM 0 H PHE A 31 4.653 -1.231 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 31 5.438 -0.176 1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.990 -0.775 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 31 7.603 0.379 0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.897 -2.982 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.136 -0.514 2.037 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.725 -4.849 2.079 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.964 -2.380 3.446 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.759 -4.549 3.465 1.00 0.00 H new ATOM 525 N GLN A 32 5.994 2.230 0.628 1.00 0.00 N ATOM 526 CA GLN A 32 5.707 3.619 0.170 1.00 0.00 C ATOM 527 C GLN A 32 6.896 4.148 -0.636 1.00 0.00 C ATOM 528 O GLN A 32 8.027 3.757 -0.422 1.00 0.00 O ATOM 529 CB GLN A 32 5.474 4.518 1.385 1.00 0.00 C ATOM 530 CG GLN A 32 4.359 3.927 2.250 1.00 0.00 C ATOM 531 CD GLN A 32 3.760 5.025 3.132 1.00 0.00 C ATOM 532 OE1 GLN A 32 4.444 5.954 3.513 1.00 0.00 O ATOM 533 NE2 GLN A 32 2.502 4.957 3.473 1.00 0.00 N ATOM 0 H GLN A 32 6.844 2.121 1.181 1.00 0.00 H new ATOM 0 HA GLN A 32 4.816 3.617 -0.458 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.392 4.607 1.966 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.204 5.523 1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 32 3.585 3.492 1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.753 3.122 2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.928 4.177 3.153 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.093 5.684 4.060 1.00 0.00 H new ATOM 542 N ALA A 33 6.649 5.035 -1.559 1.00 0.00 N ATOM 543 CA ALA A 33 7.763 5.591 -2.379 1.00 0.00 C ATOM 544 C ALA A 33 7.224 6.701 -3.283 1.00 0.00 C ATOM 545 O ALA A 33 6.032 6.922 -3.367 1.00 0.00 O ATOM 546 CB ALA A 33 8.368 4.480 -3.240 1.00 0.00 C ATOM 0 H ALA A 33 5.723 5.400 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 33 8.531 5.998 -1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.182 4.887 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.752 3.689 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.601 4.072 -3.899 1.00 0.00 H new ATOM 552 N ALA A 34 8.091 7.403 -3.961 1.00 0.00 N ATOM 553 CA ALA A 34 7.624 8.497 -4.858 1.00 0.00 C ATOM 554 C ALA A 34 8.832 9.195 -5.485 1.00 0.00 C ATOM 555 O ALA A 34 8.772 9.686 -6.595 1.00 0.00 O ATOM 556 CB ALA A 34 6.813 9.509 -4.047 1.00 0.00 C ATOM 0 H ALA A 34 9.101 7.266 -3.932 1.00 0.00 H new ATOM 0 HA ALA A 34 6.999 8.078 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.471 10.310 -4.702 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.951 9.012 -3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.438 9.928 -3.258 1.00 0.00 H new ATOM 562 N ASN A 35 9.931 9.246 -4.782 1.00 0.00 N ATOM 563 CA ASN A 35 11.140 9.915 -5.341 1.00 0.00 C ATOM 564 C ASN A 35 11.777 9.019 -6.406 1.00 0.00 C ATOM 565 O ASN A 35 12.768 9.370 -7.014 1.00 0.00 O ATOM 566 CB ASN A 35 12.149 10.166 -4.217 1.00 0.00 C ATOM 567 CG ASN A 35 12.286 8.906 -3.361 1.00 0.00 C ATOM 568 OD1 ASN A 35 13.107 8.055 -3.637 1.00 0.00 O ATOM 569 ND2 ASN A 35 11.508 8.750 -2.325 1.00 0.00 N ATOM 0 H ASN A 35 10.044 8.854 -3.847 1.00 0.00 H new ATOM 0 HA ASN A 35 10.852 10.865 -5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.117 10.439 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.821 11.003 -3.600 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.590 7.913 -1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 35 10.818 9.465 -2.093 1.00 0.00 H new ATOM 576 N GLY A 36 11.214 7.864 -6.640 1.00 0.00 N ATOM 577 CA GLY A 36 11.789 6.949 -7.668 1.00 0.00 C ATOM 578 C GLY A 36 12.904 6.111 -7.041 1.00 0.00 C ATOM 579 O GLY A 36 12.984 4.915 -7.242 1.00 0.00 O ATOM 0 H GLY A 36 10.382 7.515 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.011 6.298 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.181 7.526 -8.505 1.00 0.00 H new ATOM 583 N LEU A 37 13.770 6.728 -6.284 1.00 0.00 N ATOM 584 CA LEU A 37 14.879 5.966 -5.645 1.00 0.00 C ATOM 585 C LEU A 37 14.303 4.782 -4.866 1.00 0.00 C ATOM 586 O LEU A 37 14.685 3.647 -5.071 1.00 0.00 O ATOM 587 CB LEU A 37 15.645 6.883 -4.689 1.00 0.00 C ATOM 588 CG LEU A 37 17.017 7.206 -5.280 1.00 0.00 C ATOM 589 CD1 LEU A 37 17.062 8.679 -5.691 1.00 0.00 C ATOM 590 CD2 LEU A 37 18.099 6.937 -4.232 1.00 0.00 C ATOM 0 H LEU A 37 13.757 7.727 -6.081 1.00 0.00 H new ATOM 0 HA LEU A 37 15.557 5.598 -6.415 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.084 7.802 -4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 37 15.760 6.400 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 37 17.192 6.579 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 37 18.040 8.909 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 37 16.291 8.872 -6.437 1.00 0.00 H new ATOM 0 HD13 LEU A 37 16.887 9.306 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 37 19.078 7.167 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 37 17.923 7.564 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 37 18.068 5.888 -3.938 1.00 0.00 H new ATOM 602 N GLN A 38 13.388 5.037 -3.971 1.00 0.00 N ATOM 603 CA GLN A 38 12.790 3.925 -3.180 1.00 0.00 C ATOM 604 C GLN A 38 11.882 3.085 -4.080 1.00 0.00 C ATOM 605 O GLN A 38 11.507 1.981 -3.741 1.00 0.00 O ATOM 606 CB GLN A 38 11.968 4.504 -2.027 1.00 0.00 C ATOM 607 CG GLN A 38 12.585 4.077 -0.695 1.00 0.00 C ATOM 608 CD GLN A 38 12.096 5.008 0.416 1.00 0.00 C ATOM 609 OE1 GLN A 38 12.103 6.298 0.218 1.00 0.00 O flip ATOM 610 NE2 GLN A 38 11.701 4.558 1.473 1.00 0.00 N flip ATOM 0 H GLN A 38 13.029 5.967 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 38 13.586 3.297 -2.781 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.942 5.592 -2.096 1.00 0.00 H new ATOM 0 HB3 GLN A 38 10.937 4.156 -2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.310 3.047 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.673 4.110 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.695 3.550 1.628 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.375 5.188 2.206 1.00 0.00 H new ATOM 619 N ALA A 39 11.525 3.598 -5.225 1.00 0.00 N ATOM 620 CA ALA A 39 10.641 2.824 -6.141 1.00 0.00 C ATOM 621 C ALA A 39 11.420 1.645 -6.729 1.00 0.00 C ATOM 622 O ALA A 39 11.065 0.498 -6.540 1.00 0.00 O ATOM 623 CB ALA A 39 10.160 3.732 -7.275 1.00 0.00 C ATOM 0 H ALA A 39 11.806 4.517 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 39 9.782 2.450 -5.584 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.513 3.166 -7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 39 9.604 4.572 -6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.020 4.106 -7.831 1.00 0.00 H new ATOM 629 N LEU A 40 12.479 1.917 -7.440 1.00 0.00 N ATOM 630 CA LEU A 40 13.278 0.810 -8.039 1.00 0.00 C ATOM 631 C LEU A 40 14.004 0.044 -6.930 1.00 0.00 C ATOM 632 O LEU A 40 14.120 -1.165 -6.973 1.00 0.00 O ATOM 633 CB LEU A 40 14.306 1.393 -9.012 1.00 0.00 C ATOM 634 CG LEU A 40 13.628 2.428 -9.911 1.00 0.00 C ATOM 635 CD1 LEU A 40 14.500 3.682 -9.996 1.00 0.00 C ATOM 636 CD2 LEU A 40 13.443 1.841 -11.313 1.00 0.00 C ATOM 0 H LEU A 40 12.826 2.857 -7.632 1.00 0.00 H new ATOM 0 HA LEU A 40 12.614 0.131 -8.574 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.124 1.856 -8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.740 0.598 -9.618 1.00 0.00 H new ATOM 0 HG LEU A 40 12.656 2.690 -9.493 1.00 0.00 H new ATOM 0 HD11 LEU A 40 14.016 4.419 -10.637 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.634 4.101 -8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 40 15.473 3.421 -10.413 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.960 2.578 -11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 40 14.416 1.579 -11.729 1.00 0.00 H new ATOM 0 HD23 LEU A 40 12.821 0.948 -11.254 1.00 0.00 H new ATOM 648 N ASP A 41 14.495 0.738 -5.940 1.00 0.00 N ATOM 649 CA ASP A 41 15.214 0.047 -4.832 1.00 0.00 C ATOM 650 C ASP A 41 14.261 -0.924 -4.130 1.00 0.00 C ATOM 651 O ASP A 41 14.491 -2.117 -4.095 1.00 0.00 O ATOM 652 CB ASP A 41 15.715 1.085 -3.826 1.00 0.00 C ATOM 653 CG ASP A 41 16.989 1.743 -4.361 1.00 0.00 C ATOM 654 OD1 ASP A 41 17.218 1.655 -5.557 1.00 0.00 O ATOM 655 OD2 ASP A 41 17.712 2.322 -3.569 1.00 0.00 O ATOM 0 H ASP A 41 14.430 1.752 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 41 16.061 -0.506 -5.238 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.948 1.840 -3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.915 0.609 -2.866 1.00 0.00 H new ATOM 660 N ILE A 42 13.195 -0.424 -3.570 1.00 0.00 N ATOM 661 CA ILE A 42 12.230 -1.318 -2.869 1.00 0.00 C ATOM 662 C ILE A 42 11.735 -2.395 -3.837 1.00 0.00 C ATOM 663 O ILE A 42 11.426 -3.502 -3.443 1.00 0.00 O ATOM 664 CB ILE A 42 11.041 -0.493 -2.371 1.00 0.00 C ATOM 665 CG1 ILE A 42 11.483 0.372 -1.187 1.00 0.00 C ATOM 666 CG2 ILE A 42 9.918 -1.430 -1.926 1.00 0.00 C ATOM 667 CD1 ILE A 42 10.533 1.563 -1.040 1.00 0.00 C ATOM 0 H ILE A 42 12.950 0.566 -3.567 1.00 0.00 H new ATOM 0 HA ILE A 42 12.724 -1.792 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 42 10.680 0.147 -3.176 1.00 0.00 H new ATOM 0 HG12 ILE A 42 11.485 -0.220 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 42 12.503 0.724 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.072 -0.841 -1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.604 -2.047 -2.768 1.00 0.00 H new ATOM 0 HG23 ILE A 42 10.277 -2.071 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 42 10.848 2.178 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.553 2.159 -1.952 1.00 0.00 H new ATOM 0 HD13 ILE A 42 9.520 1.201 -0.866 1.00 0.00 H new ATOM 679 N VAL A 43 11.657 -2.081 -5.102 1.00 0.00 N ATOM 680 CA VAL A 43 11.181 -3.090 -6.090 1.00 0.00 C ATOM 681 C VAL A 43 12.224 -4.202 -6.227 1.00 0.00 C ATOM 682 O VAL A 43 11.897 -5.345 -6.475 1.00 0.00 O ATOM 683 CB VAL A 43 10.973 -2.415 -7.447 1.00 0.00 C ATOM 684 CG1 VAL A 43 10.786 -3.482 -8.528 1.00 0.00 C ATOM 685 CG2 VAL A 43 9.726 -1.528 -7.388 1.00 0.00 C ATOM 0 H VAL A 43 11.902 -1.171 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 43 10.238 -3.517 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 43 11.845 -1.806 -7.686 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.638 -2.999 -9.494 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.672 -4.116 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.915 -4.092 -8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.576 -1.046 -8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.856 -2.139 -7.148 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.857 -0.766 -6.619 1.00 0.00 H new ATOM 695 N THR A 44 13.477 -3.877 -6.067 1.00 0.00 N ATOM 696 CA THR A 44 14.538 -4.916 -6.189 1.00 0.00 C ATOM 697 C THR A 44 14.793 -5.548 -4.819 1.00 0.00 C ATOM 698 O THR A 44 15.420 -6.583 -4.709 1.00 0.00 O ATOM 699 CB THR A 44 15.828 -4.270 -6.700 1.00 0.00 C ATOM 700 OG1 THR A 44 15.572 -3.625 -7.940 1.00 0.00 O ATOM 701 CG2 THR A 44 16.898 -5.346 -6.893 1.00 0.00 C ATOM 0 H THR A 44 13.812 -2.937 -5.857 1.00 0.00 H new ATOM 0 HA THR A 44 14.214 -5.685 -6.890 1.00 0.00 H new ATOM 0 HB THR A 44 16.181 -3.537 -5.974 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.104 -2.779 -7.778 1.00 0.00 H new ATOM 0 HG21 THR A 44 17.816 -4.885 -7.257 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.093 -5.840 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 44 16.549 -6.081 -7.619 1.00 0.00 H new ATOM 709 N LYS A 45 14.315 -4.931 -3.773 1.00 0.00 N ATOM 710 CA LYS A 45 14.533 -5.495 -2.411 1.00 0.00 C ATOM 711 C LYS A 45 13.457 -6.542 -2.112 1.00 0.00 C ATOM 712 O LYS A 45 13.752 -7.689 -1.840 1.00 0.00 O ATOM 713 CB LYS A 45 14.452 -4.371 -1.375 1.00 0.00 C ATOM 714 CG LYS A 45 15.456 -3.274 -1.733 1.00 0.00 C ATOM 715 CD LYS A 45 16.750 -3.488 -0.944 1.00 0.00 C ATOM 716 CE LYS A 45 17.130 -2.192 -0.227 1.00 0.00 C ATOM 717 NZ LYS A 45 17.491 -2.495 1.188 1.00 0.00 N ATOM 0 H LYS A 45 13.783 -4.061 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 45 15.517 -5.963 -2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.443 -3.960 -1.347 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.665 -4.763 -0.380 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.663 -3.291 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 45 15.037 -2.294 -1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.618 -4.292 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.552 -3.793 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.969 -1.716 -0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.298 -1.489 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.750 -1.614 1.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.678 -2.931 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.298 -3.151 1.208 1.00 0.00 H new ATOM 731 N GLU A 46 12.211 -6.155 -2.156 1.00 0.00 N ATOM 732 CA GLU A 46 11.120 -7.129 -1.872 1.00 0.00 C ATOM 733 C GLU A 46 10.687 -7.809 -3.172 1.00 0.00 C ATOM 734 O GLU A 46 10.177 -8.912 -3.167 1.00 0.00 O ATOM 735 CB GLU A 46 9.926 -6.391 -1.262 1.00 0.00 C ATOM 736 CG GLU A 46 10.420 -5.435 -0.173 1.00 0.00 C ATOM 737 CD GLU A 46 10.042 -5.988 1.202 1.00 0.00 C ATOM 738 OE1 GLU A 46 9.164 -6.832 1.259 1.00 0.00 O ATOM 739 OE2 GLU A 46 10.640 -5.559 2.176 1.00 0.00 O ATOM 0 H GLU A 46 11.902 -5.208 -2.376 1.00 0.00 H new ATOM 0 HA GLU A 46 11.481 -7.883 -1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.394 -5.836 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.220 -7.106 -0.840 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.501 -5.314 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.979 -4.448 -0.313 1.00 0.00 H new ATOM 746 N ARG A 47 10.886 -7.162 -4.287 1.00 0.00 N ATOM 747 CA ARG A 47 10.486 -7.774 -5.586 1.00 0.00 C ATOM 748 C ARG A 47 8.966 -7.965 -5.613 1.00 0.00 C ATOM 749 O ARG A 47 8.485 -9.077 -5.694 1.00 0.00 O ATOM 750 CB ARG A 47 11.173 -9.133 -5.742 1.00 0.00 C ATOM 751 CG ARG A 47 12.472 -8.960 -6.531 1.00 0.00 C ATOM 752 CD ARG A 47 12.181 -9.083 -8.028 1.00 0.00 C ATOM 753 NE ARG A 47 11.996 -10.519 -8.382 1.00 0.00 N ATOM 754 CZ ARG A 47 11.551 -10.853 -9.563 1.00 0.00 C ATOM 755 NH1 ARG A 47 11.265 -9.929 -10.442 1.00 0.00 N ATOM 756 NH2 ARG A 47 11.391 -12.111 -9.868 1.00 0.00 N ATOM 0 H ARG A 47 11.308 -6.236 -4.355 1.00 0.00 H new ATOM 0 HA ARG A 47 10.785 -7.119 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.385 -9.560 -4.762 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.512 -9.830 -6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.914 -7.988 -6.315 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.197 -9.715 -6.228 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.285 -8.516 -8.283 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.002 -8.658 -8.605 1.00 0.00 H new ATOM 0 HE ARG A 47 12.218 -11.243 -7.699 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.389 -8.945 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.917 -10.192 -11.364 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.614 -12.834 -9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.043 -12.372 -10.791 1.00 0.00 H new ATOM 770 N PRO A 48 8.257 -6.867 -5.544 1.00 0.00 N ATOM 771 CA PRO A 48 6.784 -6.871 -5.560 1.00 0.00 C ATOM 772 C PRO A 48 6.264 -7.080 -6.985 1.00 0.00 C ATOM 773 O PRO A 48 6.958 -6.831 -7.952 1.00 0.00 O ATOM 774 CB PRO A 48 6.416 -5.477 -5.042 1.00 0.00 C ATOM 775 CG PRO A 48 7.649 -4.578 -5.296 1.00 0.00 C ATOM 776 CD PRO A 48 8.857 -5.520 -5.446 1.00 0.00 C ATOM 0 HA PRO A 48 6.351 -7.671 -4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.539 -5.089 -5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.171 -5.509 -3.980 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.512 -3.978 -6.195 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.799 -3.884 -4.469 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.442 -5.279 -6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.529 -5.445 -4.591 1.00 0.00 H new ATOM 784 N ASP A 49 5.050 -7.536 -7.123 1.00 0.00 N ATOM 785 CA ASP A 49 4.488 -7.761 -8.485 1.00 0.00 C ATOM 786 C ASP A 49 3.582 -6.588 -8.864 1.00 0.00 C ATOM 787 O ASP A 49 3.167 -6.452 -9.998 1.00 0.00 O ATOM 788 CB ASP A 49 3.676 -9.057 -8.494 1.00 0.00 C ATOM 789 CG ASP A 49 4.619 -10.252 -8.344 1.00 0.00 C ATOM 790 OD1 ASP A 49 5.008 -10.540 -7.224 1.00 0.00 O ATOM 791 OD2 ASP A 49 4.937 -10.861 -9.353 1.00 0.00 O ATOM 0 H ASP A 49 4.422 -7.763 -6.352 1.00 0.00 H new ATOM 0 HA ASP A 49 5.302 -7.838 -9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.950 -9.049 -7.681 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.113 -9.139 -9.424 1.00 0.00 H new ATOM 796 N LEU A 50 3.270 -5.739 -7.923 1.00 0.00 N ATOM 797 CA LEU A 50 2.391 -4.576 -8.230 1.00 0.00 C ATOM 798 C LEU A 50 3.169 -3.277 -8.014 1.00 0.00 C ATOM 799 O LEU A 50 3.680 -3.019 -6.942 1.00 0.00 O ATOM 800 CB LEU A 50 1.171 -4.600 -7.306 1.00 0.00 C ATOM 801 CG LEU A 50 -0.043 -5.121 -8.076 1.00 0.00 C ATOM 802 CD1 LEU A 50 -0.271 -4.256 -9.318 1.00 0.00 C ATOM 803 CD2 LEU A 50 0.209 -6.569 -8.505 1.00 0.00 C ATOM 0 H LEU A 50 3.586 -5.801 -6.955 1.00 0.00 H new ATOM 0 HA LEU A 50 2.062 -4.634 -9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.368 -5.236 -6.443 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.971 -3.599 -6.925 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.924 -5.078 -7.436 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.136 -4.628 -9.866 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.449 -3.224 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.610 -4.299 -9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.656 -6.942 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.091 -6.611 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.372 -7.187 -7.622 1.00 0.00 H new ATOM 815 N VAL A 51 3.263 -2.456 -9.024 1.00 0.00 N ATOM 816 CA VAL A 51 4.008 -1.174 -8.875 1.00 0.00 C ATOM 817 C VAL A 51 3.092 -0.005 -9.240 1.00 0.00 C ATOM 818 O VAL A 51 2.699 0.156 -10.378 1.00 0.00 O ATOM 819 CB VAL A 51 5.223 -1.180 -9.804 1.00 0.00 C ATOM 820 CG1 VAL A 51 6.158 -0.029 -9.430 1.00 0.00 C ATOM 821 CG2 VAL A 51 5.969 -2.509 -9.658 1.00 0.00 C ATOM 0 H VAL A 51 2.856 -2.617 -9.945 1.00 0.00 H new ATOM 0 HA VAL A 51 4.340 -1.065 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 51 4.892 -1.059 -10.835 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.024 -0.034 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.628 0.918 -9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.489 -0.150 -8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.835 -2.515 -10.320 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.300 -2.629 -8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.304 -3.331 -9.924 1.00 0.00 H new ATOM 831 N LEU A 52 2.750 0.813 -8.283 1.00 0.00 N ATOM 832 CA LEU A 52 1.859 1.971 -8.575 1.00 0.00 C ATOM 833 C LEU A 52 2.711 3.189 -8.942 1.00 0.00 C ATOM 834 O LEU A 52 3.526 3.644 -8.164 1.00 0.00 O ATOM 835 CB LEU A 52 1.017 2.292 -7.339 1.00 0.00 C ATOM 836 CG LEU A 52 0.280 1.032 -6.882 1.00 0.00 C ATOM 837 CD1 LEU A 52 0.568 0.781 -5.401 1.00 0.00 C ATOM 838 CD2 LEU A 52 -1.225 1.223 -7.082 1.00 0.00 C ATOM 0 H LEU A 52 3.049 0.730 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 52 1.201 1.722 -9.408 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.655 2.663 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.301 3.082 -7.568 1.00 0.00 H new ATOM 0 HG LEU A 52 0.621 0.179 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.043 -0.117 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.640 0.647 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.227 1.634 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.752 0.326 -6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.565 2.076 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.432 1.403 -8.137 1.00 0.00 H new ATOM 850 N LEU A 53 2.529 3.718 -10.120 1.00 0.00 N ATOM 851 CA LEU A 53 3.329 4.904 -10.535 1.00 0.00 C ATOM 852 C LEU A 53 2.420 6.131 -10.616 1.00 0.00 C ATOM 853 O LEU A 53 1.445 6.147 -11.342 1.00 0.00 O ATOM 854 CB LEU A 53 3.956 4.643 -11.907 1.00 0.00 C ATOM 855 CG LEU A 53 5.479 4.732 -11.798 1.00 0.00 C ATOM 856 CD1 LEU A 53 5.982 3.695 -10.792 1.00 0.00 C ATOM 857 CD2 LEU A 53 6.104 4.456 -13.168 1.00 0.00 C ATOM 0 H LEU A 53 1.861 3.380 -10.813 1.00 0.00 H new ATOM 0 HA LEU A 53 4.117 5.083 -9.803 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.664 3.658 -12.270 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.590 5.371 -12.630 1.00 0.00 H new ATOM 0 HG LEU A 53 5.761 5.730 -11.462 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.067 3.759 -10.715 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.537 3.889 -9.816 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.701 2.697 -11.127 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.190 4.519 -13.092 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.821 3.458 -13.503 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.747 5.194 -13.886 1.00 0.00 H new ATOM 869 N ASP A 54 2.729 7.160 -9.876 1.00 0.00 N ATOM 870 CA ASP A 54 1.881 8.385 -9.909 1.00 0.00 C ATOM 871 C ASP A 54 2.591 9.472 -10.719 1.00 0.00 C ATOM 872 O ASP A 54 3.580 10.033 -10.291 1.00 0.00 O ATOM 873 CB ASP A 54 1.647 8.882 -8.483 1.00 0.00 C ATOM 874 CG ASP A 54 1.001 10.269 -8.524 1.00 0.00 C ATOM 875 OD1 ASP A 54 0.082 10.449 -9.305 1.00 0.00 O ATOM 876 OD2 ASP A 54 1.436 11.126 -7.773 1.00 0.00 O ATOM 0 H ASP A 54 3.533 7.206 -9.249 1.00 0.00 H new ATOM 0 HA ASP A 54 0.923 8.152 -10.373 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.004 8.186 -7.945 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.592 8.926 -7.942 1.00 0.00 H new ATOM 881 N MET A 55 2.095 9.776 -11.887 1.00 0.00 N ATOM 882 CA MET A 55 2.743 10.826 -12.721 1.00 0.00 C ATOM 883 C MET A 55 2.583 12.188 -12.043 1.00 0.00 C ATOM 884 O MET A 55 3.179 13.167 -12.447 1.00 0.00 O ATOM 885 CB MET A 55 2.081 10.863 -14.102 1.00 0.00 C ATOM 886 CG MET A 55 2.225 9.496 -14.774 1.00 0.00 C ATOM 887 SD MET A 55 3.963 8.989 -14.750 1.00 0.00 S ATOM 888 CE MET A 55 3.925 7.971 -16.244 1.00 0.00 C ATOM 0 H MET A 55 1.269 9.342 -12.299 1.00 0.00 H new ATOM 0 HA MET A 55 3.803 10.598 -12.832 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.027 11.123 -14.005 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.544 11.634 -14.718 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.613 8.758 -14.255 1.00 0.00 H new ATOM 0 HG3 MET A 55 1.864 9.544 -15.801 1.00 0.00 H new ATOM 0 HE1 MET A 55 4.914 7.550 -16.423 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.205 7.163 -16.116 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.633 8.585 -17.096 1.00 0.00 H new ATOM 898 N LYS A 56 1.785 12.259 -11.013 1.00 0.00 N ATOM 899 CA LYS A 56 1.590 13.559 -10.311 1.00 0.00 C ATOM 900 C LYS A 56 2.827 13.870 -9.465 1.00 0.00 C ATOM 901 O LYS A 56 3.062 14.999 -9.082 1.00 0.00 O ATOM 902 CB LYS A 56 0.361 13.471 -9.404 1.00 0.00 C ATOM 903 CG LYS A 56 -0.906 13.656 -10.241 1.00 0.00 C ATOM 904 CD LYS A 56 -1.001 15.109 -10.708 1.00 0.00 C ATOM 905 CE LYS A 56 -1.707 15.165 -12.064 1.00 0.00 C ATOM 906 NZ LYS A 56 -2.801 16.176 -12.013 1.00 0.00 N ATOM 0 H LYS A 56 1.260 11.474 -10.628 1.00 0.00 H new ATOM 0 HA LYS A 56 1.442 14.351 -11.046 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.338 12.506 -8.898 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.412 14.236 -8.629 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.887 12.987 -11.101 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -1.785 13.394 -9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.549 15.702 -9.976 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.004 15.542 -10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.994 15.424 -12.847 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.114 14.185 -12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.281 16.215 -12.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.486 15.910 -11.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.401 17.110 -11.792 1.00 0.00 H new ATOM 920 N ILE A 57 3.621 12.874 -9.172 1.00 0.00 N ATOM 921 CA ILE A 57 4.843 13.109 -8.352 1.00 0.00 C ATOM 922 C ILE A 57 5.543 14.388 -8.830 1.00 0.00 C ATOM 923 O ILE A 57 6.203 14.382 -9.850 1.00 0.00 O ATOM 924 CB ILE A 57 5.795 11.922 -8.513 1.00 0.00 C ATOM 925 CG1 ILE A 57 5.164 10.675 -7.888 1.00 0.00 C ATOM 926 CG2 ILE A 57 7.119 12.229 -7.810 1.00 0.00 C ATOM 927 CD1 ILE A 57 6.064 9.465 -8.143 1.00 0.00 C ATOM 0 H ILE A 57 3.475 11.908 -9.466 1.00 0.00 H new ATOM 0 HA ILE A 57 4.563 13.217 -7.304 1.00 0.00 H new ATOM 0 HB ILE A 57 5.979 11.746 -9.573 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.028 10.821 -6.816 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.176 10.502 -8.314 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.797 11.383 -7.925 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.569 13.117 -8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.936 12.406 -6.750 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.615 8.577 -7.698 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.177 9.315 -9.217 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.043 9.639 -7.696 1.00 0.00 H new ATOM 939 N PRO A 58 5.377 15.448 -8.079 1.00 0.00 N ATOM 940 CA PRO A 58 5.984 16.751 -8.406 1.00 0.00 C ATOM 941 C PRO A 58 7.471 16.755 -8.039 1.00 0.00 C ATOM 942 O PRO A 58 7.834 16.771 -6.879 1.00 0.00 O ATOM 943 CB PRO A 58 5.202 17.741 -7.538 1.00 0.00 C ATOM 944 CG PRO A 58 4.603 16.919 -6.372 1.00 0.00 C ATOM 945 CD PRO A 58 4.575 15.451 -6.838 1.00 0.00 C ATOM 0 HA PRO A 58 5.934 16.993 -9.468 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.855 18.529 -7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 58 4.415 18.227 -8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.206 17.028 -5.471 1.00 0.00 H new ATOM 0 HG3 PRO A 58 3.599 17.267 -6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.002 14.787 -6.087 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.556 15.111 -7.022 1.00 0.00 H new ATOM 953 N GLY A 59 8.333 16.740 -9.018 1.00 0.00 N ATOM 954 CA GLY A 59 9.794 16.742 -8.726 1.00 0.00 C ATOM 955 C GLY A 59 10.470 15.608 -9.499 1.00 0.00 C ATOM 956 O GLY A 59 11.601 15.725 -9.929 1.00 0.00 O ATOM 0 H GLY A 59 8.089 16.726 -10.008 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.231 17.700 -9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.962 16.618 -7.656 1.00 0.00 H new ATOM 960 N MET A 60 9.787 14.511 -9.679 1.00 0.00 N ATOM 961 CA MET A 60 10.391 13.371 -10.423 1.00 0.00 C ATOM 962 C MET A 60 9.342 12.755 -11.351 1.00 0.00 C ATOM 963 O MET A 60 8.219 12.508 -10.957 1.00 0.00 O ATOM 964 CB MET A 60 10.876 12.314 -9.431 1.00 0.00 C ATOM 965 CG MET A 60 11.342 11.073 -10.193 1.00 0.00 C ATOM 966 SD MET A 60 10.562 9.601 -9.485 1.00 0.00 S ATOM 967 CE MET A 60 8.850 10.044 -9.873 1.00 0.00 C ATOM 0 H MET A 60 8.837 14.355 -9.343 1.00 0.00 H new ATOM 0 HA MET A 60 11.234 13.729 -11.014 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.693 12.712 -8.830 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.073 12.051 -8.743 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.083 11.163 -11.248 1.00 0.00 H new ATOM 0 HG3 MET A 60 12.427 10.985 -10.137 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.190 9.221 -9.599 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.569 10.936 -9.313 1.00 0.00 H new ATOM 0 HE3 MET A 60 8.759 10.242 -10.941 1.00 0.00 H new ATOM 977 N ASP A 61 9.696 12.505 -12.582 1.00 0.00 N ATOM 978 CA ASP A 61 8.718 11.905 -13.532 1.00 0.00 C ATOM 979 C ASP A 61 8.697 10.387 -13.351 1.00 0.00 C ATOM 980 O ASP A 61 9.636 9.798 -12.852 1.00 0.00 O ATOM 981 CB ASP A 61 9.130 12.242 -14.968 1.00 0.00 C ATOM 982 CG ASP A 61 8.694 13.670 -15.302 1.00 0.00 C ATOM 983 OD1 ASP A 61 7.560 13.840 -15.720 1.00 0.00 O ATOM 984 OD2 ASP A 61 9.501 14.569 -15.133 1.00 0.00 O ATOM 0 H ASP A 61 10.621 12.691 -12.971 1.00 0.00 H new ATOM 0 HA ASP A 61 7.725 12.308 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.210 12.144 -15.080 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.672 11.539 -15.664 1.00 0.00 H new ATOM 989 N GLY A 62 7.633 9.746 -13.752 1.00 0.00 N ATOM 990 CA GLY A 62 7.553 8.265 -13.602 1.00 0.00 C ATOM 991 C GLY A 62 7.808 7.599 -14.954 1.00 0.00 C ATOM 992 O GLY A 62 7.632 6.407 -15.113 1.00 0.00 O ATOM 0 H GLY A 62 6.816 10.184 -14.177 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.287 7.923 -12.872 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.571 7.980 -13.224 1.00 0.00 H new ATOM 996 N ILE A 63 8.222 8.357 -15.932 1.00 0.00 N ATOM 997 CA ILE A 63 8.487 7.763 -17.273 1.00 0.00 C ATOM 998 C ILE A 63 9.738 6.885 -17.203 1.00 0.00 C ATOM 999 O ILE A 63 9.701 5.709 -17.504 1.00 0.00 O ATOM 1000 CB ILE A 63 8.705 8.883 -18.293 1.00 0.00 C ATOM 1001 CG1 ILE A 63 7.371 9.575 -18.581 1.00 0.00 C ATOM 1002 CG2 ILE A 63 9.263 8.293 -19.589 1.00 0.00 C ATOM 1003 CD1 ILE A 63 6.479 8.642 -19.405 1.00 0.00 C ATOM 0 H ILE A 63 8.388 9.361 -15.861 1.00 0.00 H new ATOM 0 HA ILE A 63 7.634 7.156 -17.577 1.00 0.00 H new ATOM 0 HB ILE A 63 9.413 9.608 -17.891 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.876 9.837 -17.646 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.541 10.505 -19.123 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.418 9.091 -20.315 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.213 7.799 -19.385 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.556 7.568 -19.992 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.529 9.135 -19.610 1.00 0.00 H new ATOM 0 HD12 ILE A 63 6.974 8.402 -20.346 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.298 7.724 -18.846 1.00 0.00 H new ATOM 1015 N GLU A 64 10.847 7.448 -16.807 1.00 0.00 N ATOM 1016 CA GLU A 64 12.098 6.644 -16.717 1.00 0.00 C ATOM 1017 C GLU A 64 11.882 5.472 -15.757 1.00 0.00 C ATOM 1018 O GLU A 64 12.488 4.428 -15.890 1.00 0.00 O ATOM 1019 CB GLU A 64 13.236 7.526 -16.198 1.00 0.00 C ATOM 1020 CG GLU A 64 13.134 8.915 -16.831 1.00 0.00 C ATOM 1021 CD GLU A 64 14.539 9.453 -17.110 1.00 0.00 C ATOM 1022 OE1 GLU A 64 15.427 9.169 -16.323 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.702 10.139 -18.105 1.00 0.00 O ATOM 0 H GLU A 64 10.940 8.429 -16.542 1.00 0.00 H new ATOM 0 HA GLU A 64 12.357 6.262 -17.705 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.183 7.605 -15.112 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.199 7.075 -16.438 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.562 8.863 -17.758 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.600 9.592 -16.164 1.00 0.00 H new ATOM 1030 N ILE A 65 11.021 5.637 -14.791 1.00 0.00 N ATOM 1031 CA ILE A 65 10.765 4.532 -13.824 1.00 0.00 C ATOM 1032 C ILE A 65 10.264 3.301 -14.580 1.00 0.00 C ATOM 1033 O ILE A 65 10.789 2.214 -14.432 1.00 0.00 O ATOM 1034 CB ILE A 65 9.706 4.974 -12.812 1.00 0.00 C ATOM 1035 CG1 ILE A 65 10.076 6.350 -12.254 1.00 0.00 C ATOM 1036 CG2 ILE A 65 9.640 3.962 -11.666 1.00 0.00 C ATOM 1037 CD1 ILE A 65 9.153 6.693 -11.083 1.00 0.00 C ATOM 0 H ILE A 65 10.484 6.489 -14.629 1.00 0.00 H new ATOM 0 HA ILE A 65 11.688 4.287 -13.299 1.00 0.00 H new ATOM 0 HB ILE A 65 8.735 5.030 -13.305 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.115 6.353 -11.924 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.987 7.106 -13.034 1.00 0.00 H new ATOM 0 HG21 ILE A 65 8.886 4.277 -10.945 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.377 2.981 -12.062 1.00 0.00 H new ATOM 0 HG23 ILE A 65 10.611 3.906 -11.174 1.00 0.00 H new ATOM 0 HD11 ILE A 65 9.417 7.673 -10.686 1.00 0.00 H new ATOM 0 HD12 ILE A 65 8.119 6.708 -11.427 1.00 0.00 H new ATOM 0 HD13 ILE A 65 9.264 5.943 -10.300 1.00 0.00 H new ATOM 1049 N LEU A 66 9.253 3.462 -15.388 1.00 0.00 N ATOM 1050 CA LEU A 66 8.719 2.300 -16.155 1.00 0.00 C ATOM 1051 C LEU A 66 9.857 1.636 -16.934 1.00 0.00 C ATOM 1052 O LEU A 66 10.060 0.441 -16.858 1.00 0.00 O ATOM 1053 CB LEU A 66 7.646 2.784 -17.132 1.00 0.00 C ATOM 1054 CG LEU A 66 6.364 3.108 -16.363 1.00 0.00 C ATOM 1055 CD1 LEU A 66 5.251 3.461 -17.351 1.00 0.00 C ATOM 1056 CD2 LEU A 66 5.944 1.890 -15.537 1.00 0.00 C ATOM 0 H LEU A 66 8.773 4.347 -15.551 1.00 0.00 H new ATOM 0 HA LEU A 66 8.283 1.578 -15.464 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.996 3.668 -17.665 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.449 2.017 -17.881 1.00 0.00 H new ATOM 0 HG LEU A 66 6.543 3.954 -15.700 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.338 3.692 -16.803 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.549 4.328 -17.941 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.072 2.615 -18.015 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.030 2.120 -14.989 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.766 1.044 -16.201 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.736 1.637 -14.832 1.00 0.00 H new ATOM 1068 N LYS A 67 10.601 2.403 -17.683 1.00 0.00 N ATOM 1069 CA LYS A 67 11.724 1.815 -18.467 1.00 0.00 C ATOM 1070 C LYS A 67 12.538 0.880 -17.570 1.00 0.00 C ATOM 1071 O LYS A 67 12.823 -0.245 -17.927 1.00 0.00 O ATOM 1072 CB LYS A 67 12.626 2.938 -18.985 1.00 0.00 C ATOM 1073 CG LYS A 67 13.570 2.381 -20.053 1.00 0.00 C ATOM 1074 CD LYS A 67 14.992 2.880 -19.786 1.00 0.00 C ATOM 1075 CE LYS A 67 15.583 3.454 -21.076 1.00 0.00 C ATOM 1076 NZ LYS A 67 16.703 4.377 -20.741 1.00 0.00 N ATOM 0 H LYS A 67 10.480 3.411 -17.786 1.00 0.00 H new ATOM 0 HA LYS A 67 11.323 1.252 -19.310 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.020 3.742 -19.403 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.201 3.366 -18.164 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.547 1.291 -20.041 1.00 0.00 H new ATOM 0 HG3 LYS A 67 13.242 2.696 -21.044 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.981 3.643 -19.008 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.613 2.062 -19.421 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.941 2.647 -21.715 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.814 3.986 -21.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.105 4.767 -21.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.347 5.153 -20.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.440 3.856 -20.224 1.00 0.00 H new ATOM 1090 N ARG A 68 12.913 1.337 -16.407 1.00 0.00 N ATOM 1091 CA ARG A 68 13.708 0.474 -15.489 1.00 0.00 C ATOM 1092 C ARG A 68 12.928 -0.809 -15.192 1.00 0.00 C ATOM 1093 O ARG A 68 13.489 -1.882 -15.105 1.00 0.00 O ATOM 1094 CB ARG A 68 13.972 1.225 -14.181 1.00 0.00 C ATOM 1095 CG ARG A 68 15.479 1.404 -13.990 1.00 0.00 C ATOM 1096 CD ARG A 68 15.860 2.859 -14.271 1.00 0.00 C ATOM 1097 NE ARG A 68 17.309 2.935 -14.615 1.00 0.00 N ATOM 1098 CZ ARG A 68 17.723 2.565 -15.797 1.00 0.00 C ATOM 1099 NH1 ARG A 68 16.870 2.127 -16.684 1.00 0.00 N ATOM 1100 NH2 ARG A 68 18.992 2.634 -16.093 1.00 0.00 N ATOM 0 H ARG A 68 12.703 2.270 -16.053 1.00 0.00 H new ATOM 0 HA ARG A 68 14.658 0.221 -15.960 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.479 2.197 -14.202 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.551 0.672 -13.341 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.762 1.133 -12.973 1.00 0.00 H new ATOM 0 HG3 ARG A 68 16.023 0.739 -14.660 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.259 3.252 -15.091 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.650 3.477 -13.398 1.00 0.00 H new ATOM 0 HE ARG A 68 17.978 3.277 -13.925 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.878 2.073 -16.454 1.00 0.00 H new ATOM 0 HH12 ARG A 68 17.196 1.839 -17.606 1.00 0.00 H new ATOM 0 HH21 ARG A 68 19.659 2.977 -15.402 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.317 2.345 -17.016 1.00 0.00 H new ATOM 1114 N MET A 69 11.636 -0.705 -15.037 1.00 0.00 N ATOM 1115 CA MET A 69 10.821 -1.918 -14.746 1.00 0.00 C ATOM 1116 C MET A 69 10.817 -2.835 -15.970 1.00 0.00 C ATOM 1117 O MET A 69 10.634 -4.031 -15.860 1.00 0.00 O ATOM 1118 CB MET A 69 9.386 -1.500 -14.416 1.00 0.00 C ATOM 1119 CG MET A 69 9.407 -0.320 -13.445 1.00 0.00 C ATOM 1120 SD MET A 69 7.870 -0.296 -12.489 1.00 0.00 S ATOM 1121 CE MET A 69 8.435 0.815 -11.177 1.00 0.00 C ATOM 0 H MET A 69 11.110 0.167 -15.099 1.00 0.00 H new ATOM 0 HA MET A 69 11.249 -2.449 -13.896 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.858 -1.224 -15.329 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.845 -2.337 -13.975 1.00 0.00 H new ATOM 0 HG2 MET A 69 10.263 -0.402 -12.775 1.00 0.00 H new ATOM 0 HG3 MET A 69 9.521 0.615 -13.994 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.455 0.278 -10.229 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.437 1.175 -11.411 1.00 0.00 H new ATOM 0 HE3 MET A 69 7.754 1.662 -11.099 1.00 0.00 H new ATOM 1131 N LYS A 70 11.018 -2.285 -17.136 1.00 0.00 N ATOM 1132 CA LYS A 70 11.026 -3.127 -18.366 1.00 0.00 C ATOM 1133 C LYS A 70 12.374 -3.841 -18.486 1.00 0.00 C ATOM 1134 O LYS A 70 12.466 -4.928 -19.018 1.00 0.00 O ATOM 1135 CB LYS A 70 10.808 -2.239 -19.594 1.00 0.00 C ATOM 1136 CG LYS A 70 9.643 -1.283 -19.333 1.00 0.00 C ATOM 1137 CD LYS A 70 8.330 -1.950 -19.753 1.00 0.00 C ATOM 1138 CE LYS A 70 7.943 -3.008 -18.720 1.00 0.00 C ATOM 1139 NZ LYS A 70 8.010 -4.360 -19.344 1.00 0.00 N ATOM 0 H LYS A 70 11.177 -1.289 -17.290 1.00 0.00 H new ATOM 0 HA LYS A 70 10.227 -3.866 -18.306 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.714 -1.674 -19.812 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.598 -2.855 -20.468 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.606 -1.017 -18.276 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.787 -0.357 -19.890 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.541 -1.203 -19.837 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.441 -2.409 -20.735 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.615 -2.958 -17.863 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.936 -2.817 -18.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.528 -5.049 -18.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.544 -4.337 -20.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.005 -4.639 -19.462 1.00 0.00 H new ATOM 1153 N VAL A 71 13.421 -3.237 -17.993 1.00 0.00 N ATOM 1154 CA VAL A 71 14.762 -3.881 -18.080 1.00 0.00 C ATOM 1155 C VAL A 71 14.942 -4.843 -16.904 1.00 0.00 C ATOM 1156 O VAL A 71 15.757 -5.743 -16.946 1.00 0.00 O ATOM 1157 CB VAL A 71 15.848 -2.806 -18.029 1.00 0.00 C ATOM 1158 CG1 VAL A 71 17.172 -3.393 -18.521 1.00 0.00 C ATOM 1159 CG2 VAL A 71 15.445 -1.633 -18.927 1.00 0.00 C ATOM 0 H VAL A 71 13.405 -2.326 -17.534 1.00 0.00 H new ATOM 0 HA VAL A 71 14.840 -4.433 -19.017 1.00 0.00 H new ATOM 0 HB VAL A 71 15.966 -2.456 -17.003 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.946 -2.626 -18.484 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.459 -4.229 -17.883 1.00 0.00 H new ATOM 0 HG13 VAL A 71 17.056 -3.743 -19.547 1.00 0.00 H new ATOM 0 HG21 VAL A 71 16.218 -0.865 -18.892 1.00 0.00 H new ATOM 0 HG22 VAL A 71 15.328 -1.983 -19.952 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.502 -1.214 -18.577 1.00 0.00 H new ATOM 1169 N ILE A 72 14.187 -4.661 -15.856 1.00 0.00 N ATOM 1170 CA ILE A 72 14.316 -5.566 -14.678 1.00 0.00 C ATOM 1171 C ILE A 72 13.365 -6.754 -14.842 1.00 0.00 C ATOM 1172 O ILE A 72 13.667 -7.862 -14.444 1.00 0.00 O ATOM 1173 CB ILE A 72 13.958 -4.799 -13.404 1.00 0.00 C ATOM 1174 CG1 ILE A 72 14.924 -3.624 -13.230 1.00 0.00 C ATOM 1175 CG2 ILE A 72 14.073 -5.733 -12.197 1.00 0.00 C ATOM 1176 CD1 ILE A 72 14.441 -2.732 -12.087 1.00 0.00 C ATOM 0 H ILE A 72 13.486 -3.925 -15.764 1.00 0.00 H new ATOM 0 HA ILE A 72 15.342 -5.928 -14.608 1.00 0.00 H new ATOM 0 HB ILE A 72 12.937 -4.425 -13.479 1.00 0.00 H new ATOM 0 HG12 ILE A 72 15.928 -3.993 -13.018 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.984 -3.049 -14.154 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.818 -5.187 -11.289 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.389 -6.572 -12.320 1.00 0.00 H new ATOM 0 HG23 ILE A 72 15.094 -6.106 -12.121 1.00 0.00 H new ATOM 0 HD11 ILE A 72 15.129 -1.895 -11.963 1.00 0.00 H new ATOM 0 HD12 ILE A 72 13.446 -2.352 -12.317 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.404 -3.311 -11.164 1.00 0.00 H new ATOM 1188 N ASP A 73 12.219 -6.533 -15.424 1.00 0.00 N ATOM 1189 CA ASP A 73 11.250 -7.650 -15.611 1.00 0.00 C ATOM 1190 C ASP A 73 10.163 -7.221 -16.599 1.00 0.00 C ATOM 1191 O ASP A 73 9.621 -6.138 -16.509 1.00 0.00 O ATOM 1192 CB ASP A 73 10.609 -8.000 -14.267 1.00 0.00 C ATOM 1193 CG ASP A 73 11.197 -9.314 -13.748 1.00 0.00 C ATOM 1194 OD1 ASP A 73 12.258 -9.270 -13.148 1.00 0.00 O ATOM 1195 OD2 ASP A 73 10.576 -10.343 -13.960 1.00 0.00 O ATOM 0 H ASP A 73 11.911 -5.627 -15.778 1.00 0.00 H new ATOM 0 HA ASP A 73 11.772 -8.523 -16.002 1.00 0.00 H new ATOM 0 HB2 ASP A 73 10.787 -7.200 -13.548 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.529 -8.092 -14.380 1.00 0.00 H new ATOM 1200 N GLU A 74 9.840 -8.063 -17.542 1.00 0.00 N ATOM 1201 CA GLU A 74 8.788 -7.704 -18.534 1.00 0.00 C ATOM 1202 C GLU A 74 7.421 -8.150 -18.013 1.00 0.00 C ATOM 1203 O GLU A 74 6.393 -7.800 -18.558 1.00 0.00 O ATOM 1204 CB GLU A 74 9.080 -8.404 -19.863 1.00 0.00 C ATOM 1205 CG GLU A 74 9.327 -7.355 -20.950 1.00 0.00 C ATOM 1206 CD GLU A 74 9.327 -8.032 -22.321 1.00 0.00 C ATOM 1207 OE1 GLU A 74 8.798 -9.128 -22.420 1.00 0.00 O ATOM 1208 OE2 GLU A 74 9.856 -7.444 -23.250 1.00 0.00 O ATOM 0 H GLU A 74 10.259 -8.984 -17.668 1.00 0.00 H new ATOM 0 HA GLU A 74 8.785 -6.624 -18.684 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.952 -9.050 -19.762 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.241 -9.042 -20.142 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.554 -6.587 -20.912 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.281 -6.856 -20.779 1.00 0.00 H new ATOM 1215 N ASN A 75 7.400 -8.922 -16.959 1.00 0.00 N ATOM 1216 CA ASN A 75 6.099 -9.389 -16.405 1.00 0.00 C ATOM 1217 C ASN A 75 5.758 -8.583 -15.150 1.00 0.00 C ATOM 1218 O ASN A 75 4.866 -8.928 -14.402 1.00 0.00 O ATOM 1219 CB ASN A 75 6.202 -10.873 -16.046 1.00 0.00 C ATOM 1220 CG ASN A 75 7.089 -11.587 -17.068 1.00 0.00 C ATOM 1221 OD1 ASN A 75 8.299 -11.549 -16.970 1.00 0.00 O ATOM 1222 ND2 ASN A 75 6.535 -12.239 -18.053 1.00 0.00 N ATOM 0 H ASN A 75 8.227 -9.248 -16.459 1.00 0.00 H new ATOM 0 HA ASN A 75 5.316 -9.248 -17.150 1.00 0.00 H new ATOM 0 HB2 ASN A 75 6.618 -10.988 -15.045 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.210 -11.324 -16.032 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.118 -12.717 -18.740 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.519 -12.271 -18.136 1.00 0.00 H new ATOM 1229 N ILE A 76 6.463 -7.510 -14.914 1.00 0.00 N ATOM 1230 CA ILE A 76 6.178 -6.683 -13.708 1.00 0.00 C ATOM 1231 C ILE A 76 4.950 -5.809 -13.967 1.00 0.00 C ATOM 1232 O ILE A 76 4.963 -4.940 -14.817 1.00 0.00 O ATOM 1233 CB ILE A 76 7.384 -5.792 -13.403 1.00 0.00 C ATOM 1234 CG1 ILE A 76 7.098 -4.959 -12.152 1.00 0.00 C ATOM 1235 CG2 ILE A 76 7.642 -4.859 -14.588 1.00 0.00 C ATOM 1236 CD1 ILE A 76 8.249 -5.120 -11.158 1.00 0.00 C ATOM 0 H ILE A 76 7.223 -7.171 -15.504 1.00 0.00 H new ATOM 0 HA ILE A 76 5.985 -7.336 -12.857 1.00 0.00 H new ATOM 0 HB ILE A 76 8.262 -6.415 -13.233 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.979 -3.909 -12.420 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.161 -5.279 -11.695 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.501 -4.224 -14.371 1.00 0.00 H new ATOM 0 HG22 ILE A 76 7.845 -5.451 -15.480 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.764 -4.236 -14.758 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.046 -4.527 -10.267 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.346 -6.170 -10.881 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.177 -4.779 -11.617 1.00 0.00 H new ATOM 1248 N ARG A 77 3.888 -6.031 -13.242 1.00 0.00 N ATOM 1249 CA ARG A 77 2.660 -5.212 -13.447 1.00 0.00 C ATOM 1250 C ARG A 77 2.910 -3.785 -12.957 1.00 0.00 C ATOM 1251 O ARG A 77 3.329 -3.567 -11.837 1.00 0.00 O ATOM 1252 CB ARG A 77 1.501 -5.826 -12.661 1.00 0.00 C ATOM 1253 CG ARG A 77 1.072 -7.138 -13.322 1.00 0.00 C ATOM 1254 CD ARG A 77 -0.052 -7.779 -12.506 1.00 0.00 C ATOM 1255 NE ARG A 77 -0.200 -9.208 -12.902 1.00 0.00 N ATOM 1256 CZ ARG A 77 0.657 -10.098 -12.480 1.00 0.00 C ATOM 1257 NH1 ARG A 77 1.650 -9.742 -11.710 1.00 0.00 N ATOM 1258 NH2 ARG A 77 0.521 -11.349 -12.829 1.00 0.00 N ATOM 0 H ARG A 77 3.818 -6.744 -12.516 1.00 0.00 H new ATOM 0 HA ARG A 77 2.410 -5.192 -14.508 1.00 0.00 H new ATOM 0 HB2 ARG A 77 1.804 -6.008 -11.630 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.662 -5.131 -12.629 1.00 0.00 H new ATOM 0 HG2 ARG A 77 0.734 -6.950 -14.341 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.921 -7.818 -13.388 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.170 -7.707 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.988 -7.245 -12.673 1.00 0.00 H new ATOM 0 HE ARG A 77 -0.973 -9.492 -13.504 1.00 0.00 H new ATOM 0 HH11 ARG A 77 1.758 -8.765 -11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.317 -10.441 -11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -0.254 -11.629 -13.430 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.190 -12.046 -12.500 1.00 0.00 H new ATOM 1272 N VAL A 78 2.658 -2.810 -13.788 1.00 0.00 N ATOM 1273 CA VAL A 78 2.883 -1.398 -13.368 1.00 0.00 C ATOM 1274 C VAL A 78 1.667 -0.552 -13.752 1.00 0.00 C ATOM 1275 O VAL A 78 1.412 -0.303 -14.913 1.00 0.00 O ATOM 1276 CB VAL A 78 4.127 -0.850 -14.069 1.00 0.00 C ATOM 1277 CG1 VAL A 78 4.627 0.390 -13.327 1.00 0.00 C ATOM 1278 CG2 VAL A 78 5.222 -1.918 -14.070 1.00 0.00 C ATOM 0 H VAL A 78 2.307 -2.930 -14.738 1.00 0.00 H new ATOM 0 HA VAL A 78 3.027 -1.358 -12.288 1.00 0.00 H new ATOM 0 HB VAL A 78 3.877 -0.583 -15.096 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.514 0.780 -13.827 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.847 1.152 -13.324 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.877 0.123 -12.300 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.109 -1.529 -14.569 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.471 -2.185 -13.043 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.867 -2.803 -14.599 1.00 0.00 H new ATOM 1288 N ILE A 79 0.914 -0.106 -12.783 1.00 0.00 N ATOM 1289 CA ILE A 79 -0.284 0.724 -13.092 1.00 0.00 C ATOM 1290 C ILE A 79 0.101 2.205 -13.056 1.00 0.00 C ATOM 1291 O ILE A 79 1.143 2.573 -12.553 1.00 0.00 O ATOM 1292 CB ILE A 79 -1.373 0.455 -12.052 1.00 0.00 C ATOM 1293 CG1 ILE A 79 -1.714 -1.037 -12.046 1.00 0.00 C ATOM 1294 CG2 ILE A 79 -2.625 1.262 -12.401 1.00 0.00 C ATOM 1295 CD1 ILE A 79 -2.624 -1.349 -10.857 1.00 0.00 C ATOM 0 H ILE A 79 1.077 -0.281 -11.791 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.658 0.469 -14.083 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.014 0.751 -11.066 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.209 -1.311 -12.978 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.801 -1.629 -11.984 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.400 1.070 -11.659 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.383 2.325 -12.406 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.985 0.967 -13.387 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -2.866 -2.412 -10.853 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.113 -1.090 -9.930 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.542 -0.768 -10.939 1.00 0.00 H new ATOM 1307 N ILE A 80 -0.731 3.059 -13.588 1.00 0.00 N ATOM 1308 CA ILE A 80 -0.408 4.516 -13.581 1.00 0.00 C ATOM 1309 C ILE A 80 -1.590 5.299 -13.007 1.00 0.00 C ATOM 1310 O ILE A 80 -2.727 4.877 -13.090 1.00 0.00 O ATOM 1311 CB ILE A 80 -0.124 5.001 -15.009 1.00 0.00 C ATOM 1312 CG1 ILE A 80 -0.736 4.034 -16.027 1.00 0.00 C ATOM 1313 CG2 ILE A 80 1.386 5.078 -15.229 1.00 0.00 C ATOM 1314 CD1 ILE A 80 -0.429 4.522 -17.444 1.00 0.00 C ATOM 0 H ILE A 80 -1.618 2.812 -14.026 1.00 0.00 H new ATOM 0 HA ILE A 80 0.476 4.679 -12.965 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.568 5.987 -15.143 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.332 3.032 -15.881 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.814 3.968 -15.879 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.589 5.422 -16.243 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.823 5.776 -14.515 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.825 4.091 -15.086 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.865 3.834 -18.168 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.854 5.516 -17.587 1.00 0.00 H new ATOM 0 HD13 ILE A 80 0.651 4.565 -17.588 1.00 0.00 H new ATOM 1326 N MET A 81 -1.331 6.438 -12.427 1.00 0.00 N ATOM 1327 CA MET A 81 -2.437 7.252 -11.849 1.00 0.00 C ATOM 1328 C MET A 81 -2.226 8.723 -12.210 1.00 0.00 C ATOM 1329 O MET A 81 -1.464 9.425 -11.574 1.00 0.00 O ATOM 1330 CB MET A 81 -2.445 7.095 -10.327 1.00 0.00 C ATOM 1331 CG MET A 81 -2.008 5.677 -9.956 1.00 0.00 C ATOM 1332 SD MET A 81 -2.131 5.456 -8.164 1.00 0.00 S ATOM 1333 CE MET A 81 -0.647 6.391 -7.718 1.00 0.00 C ATOM 0 H MET A 81 -0.399 6.841 -12.328 1.00 0.00 H new ATOM 0 HA MET A 81 -3.390 6.911 -12.253 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.774 7.824 -9.872 1.00 0.00 H new ATOM 0 HB3 MET A 81 -3.443 7.293 -9.936 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.635 4.946 -10.467 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.983 5.503 -10.285 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.292 6.066 -6.740 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.130 6.217 -8.462 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.884 7.454 -7.682 1.00 0.00 H new ATOM 1343 N THR A 82 -2.892 9.198 -13.227 1.00 0.00 N ATOM 1344 CA THR A 82 -2.723 10.623 -13.628 1.00 0.00 C ATOM 1345 C THR A 82 -3.836 11.019 -14.602 1.00 0.00 C ATOM 1346 O THR A 82 -4.948 10.537 -14.516 1.00 0.00 O ATOM 1347 CB THR A 82 -1.351 10.803 -14.291 1.00 0.00 C ATOM 1348 OG1 THR A 82 -0.999 12.181 -14.280 1.00 0.00 O ATOM 1349 CG2 THR A 82 -1.394 10.296 -15.733 1.00 0.00 C ATOM 0 H THR A 82 -3.545 8.661 -13.797 1.00 0.00 H new ATOM 0 HA THR A 82 -2.782 11.263 -12.747 1.00 0.00 H new ATOM 0 HB THR A 82 -0.608 10.230 -13.737 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.433 12.380 -15.055 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.415 10.428 -16.195 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.658 9.239 -15.739 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.139 10.859 -16.295 1.00 0.00 H new ATOM 1357 N ALA A 83 -3.543 11.895 -15.523 1.00 0.00 N ATOM 1358 CA ALA A 83 -4.574 12.333 -16.503 1.00 0.00 C ATOM 1359 C ALA A 83 -5.407 11.133 -16.960 1.00 0.00 C ATOM 1360 O ALA A 83 -4.944 10.286 -17.698 1.00 0.00 O ATOM 1361 CB ALA A 83 -3.875 12.955 -17.710 1.00 0.00 C ATOM 0 H ALA A 83 -2.627 12.329 -15.639 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.234 13.063 -16.034 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.621 13.280 -18.435 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.286 13.813 -17.387 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.219 12.217 -18.171 1.00 0.00 H new ATOM 1458 N ILE A 90 0.640 8.641 -21.752 1.00 0.00 N ATOM 1459 CA ILE A 90 0.027 7.568 -20.911 1.00 0.00 C ATOM 1460 C ILE A 90 -0.492 6.457 -21.832 1.00 0.00 C ATOM 1461 O ILE A 90 -0.167 5.299 -21.668 1.00 0.00 O ATOM 1462 CB ILE A 90 -1.115 8.150 -20.027 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -2.430 7.383 -20.237 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -1.355 9.624 -20.359 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -3.466 7.859 -19.218 1.00 0.00 C ATOM 0 HA ILE A 90 0.776 7.152 -20.237 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.800 8.048 -18.988 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.800 7.544 -21.250 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.260 6.312 -20.126 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.157 10.013 -19.731 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.443 10.192 -20.175 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.637 9.720 -21.408 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.399 7.315 -19.367 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.096 7.675 -18.210 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.643 8.926 -19.351 1.00 0.00 H new ATOM 1477 N GLN A 91 -1.298 6.804 -22.799 1.00 0.00 N ATOM 1478 CA GLN A 91 -1.836 5.770 -23.725 1.00 0.00 C ATOM 1479 C GLN A 91 -0.695 4.872 -24.206 1.00 0.00 C ATOM 1480 O GLN A 91 -0.715 3.672 -24.020 1.00 0.00 O ATOM 1481 CB GLN A 91 -2.492 6.452 -24.928 1.00 0.00 C ATOM 1482 CG GLN A 91 -2.773 5.414 -26.017 1.00 0.00 C ATOM 1483 CD GLN A 91 -3.416 6.100 -27.223 1.00 0.00 C ATOM 1484 OE1 GLN A 91 -2.884 6.056 -28.316 1.00 0.00 O ATOM 1485 NE2 GLN A 91 -4.544 6.738 -27.072 1.00 0.00 N ATOM 0 H GLN A 91 -1.606 7.758 -22.987 1.00 0.00 H new ATOM 0 HA GLN A 91 -2.578 5.166 -23.202 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.421 6.935 -24.623 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -1.839 7.234 -25.316 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.846 4.925 -26.315 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -3.434 4.637 -25.632 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -4.990 6.775 -26.156 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -4.980 7.200 -27.870 1.00 0.00 H new ATOM 1494 N GLU A 92 0.301 5.445 -24.826 1.00 0.00 N ATOM 1495 CA GLU A 92 1.442 4.624 -25.319 1.00 0.00 C ATOM 1496 C GLU A 92 2.085 3.885 -24.143 1.00 0.00 C ATOM 1497 O GLU A 92 2.420 2.721 -24.238 1.00 0.00 O ATOM 1498 CB GLU A 92 2.480 5.535 -25.977 1.00 0.00 C ATOM 1499 CG GLU A 92 3.387 4.704 -26.888 1.00 0.00 C ATOM 1500 CD GLU A 92 4.507 4.076 -26.057 1.00 0.00 C ATOM 1501 OE1 GLU A 92 5.032 4.760 -25.193 1.00 0.00 O ATOM 1502 OE2 GLU A 92 4.822 2.922 -26.298 1.00 0.00 O ATOM 0 H GLU A 92 0.373 6.445 -25.012 1.00 0.00 H new ATOM 0 HA GLU A 92 1.079 3.900 -26.049 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.982 6.313 -26.555 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.075 6.036 -25.214 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.807 3.925 -27.384 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.810 5.334 -27.671 1.00 0.00 H new ATOM 1509 N SER A 93 2.259 4.553 -23.035 1.00 0.00 N ATOM 1510 CA SER A 93 2.880 3.888 -21.854 1.00 0.00 C ATOM 1511 C SER A 93 2.279 2.491 -21.681 1.00 0.00 C ATOM 1512 O SER A 93 2.928 1.580 -21.205 1.00 0.00 O ATOM 1513 CB SER A 93 2.609 4.720 -20.601 1.00 0.00 C ATOM 1514 OG SER A 93 3.845 5.059 -19.987 1.00 0.00 O ATOM 0 H SER A 93 1.998 5.529 -22.897 1.00 0.00 H new ATOM 0 HA SER A 93 3.956 3.803 -22.007 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.059 5.624 -20.863 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.986 4.158 -19.905 1.00 0.00 H new ATOM 0 HG SER A 93 3.675 5.594 -19.184 1.00 0.00 H new ATOM 1520 N LYS A 94 1.043 2.316 -22.060 1.00 0.00 N ATOM 1521 CA LYS A 94 0.401 0.979 -21.916 1.00 0.00 C ATOM 1522 C LYS A 94 1.246 -0.073 -22.638 1.00 0.00 C ATOM 1523 O LYS A 94 1.641 -1.067 -22.062 1.00 0.00 O ATOM 1524 CB LYS A 94 -1.000 1.017 -22.531 1.00 0.00 C ATOM 1525 CG LYS A 94 -1.869 -0.067 -21.890 1.00 0.00 C ATOM 1526 CD LYS A 94 -1.524 -1.426 -22.502 1.00 0.00 C ATOM 1527 CE LYS A 94 -2.587 -2.451 -22.100 1.00 0.00 C ATOM 1528 NZ LYS A 94 -3.562 -2.619 -23.215 1.00 0.00 N ATOM 0 H LYS A 94 0.450 3.041 -22.463 1.00 0.00 H new ATOM 0 HA LYS A 94 0.327 0.723 -20.859 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.450 1.998 -22.376 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.940 0.860 -23.608 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.705 -0.089 -20.813 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.924 0.157 -22.047 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -1.473 -1.346 -23.588 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.542 -1.752 -22.160 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.117 -3.406 -21.867 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.103 -2.121 -21.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.285 -3.315 -22.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.019 -1.707 -23.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.064 -2.952 -24.065 1.00 0.00 H new ATOM 1542 N GLU A 95 1.526 0.138 -23.895 1.00 0.00 N ATOM 1543 CA GLU A 95 2.345 -0.850 -24.651 1.00 0.00 C ATOM 1544 C GLU A 95 3.623 -1.160 -23.868 1.00 0.00 C ATOM 1545 O GLU A 95 3.995 -2.303 -23.694 1.00 0.00 O ATOM 1546 CB GLU A 95 2.714 -0.268 -26.018 1.00 0.00 C ATOM 1547 CG GLU A 95 1.449 0.230 -26.720 1.00 0.00 C ATOM 1548 CD GLU A 95 1.778 0.594 -28.168 1.00 0.00 C ATOM 1549 OE1 GLU A 95 2.952 0.633 -28.497 1.00 0.00 O ATOM 1550 OE2 GLU A 95 0.850 0.828 -28.925 1.00 0.00 O ATOM 0 H GLU A 95 1.223 0.952 -24.430 1.00 0.00 H new ATOM 0 HA GLU A 95 1.771 -1.767 -24.789 1.00 0.00 H new ATOM 0 HB2 GLU A 95 3.422 0.552 -25.897 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.206 -1.026 -26.627 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.679 -0.541 -26.694 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.049 1.099 -26.198 1.00 0.00 H new ATOM 1557 N LEU A 96 4.298 -0.149 -23.392 1.00 0.00 N ATOM 1558 CA LEU A 96 5.550 -0.387 -22.620 1.00 0.00 C ATOM 1559 C LEU A 96 5.293 -1.443 -21.544 1.00 0.00 C ATOM 1560 O LEU A 96 5.935 -2.473 -21.506 1.00 0.00 O ATOM 1561 CB LEU A 96 5.997 0.919 -21.959 1.00 0.00 C ATOM 1562 CG LEU A 96 6.719 1.792 -22.986 1.00 0.00 C ATOM 1563 CD1 LEU A 96 6.110 3.195 -22.982 1.00 0.00 C ATOM 1564 CD2 LEU A 96 8.203 1.880 -22.625 1.00 0.00 C ATOM 0 H LEU A 96 4.037 0.830 -23.504 1.00 0.00 H new ATOM 0 HA LEU A 96 6.331 -0.739 -23.294 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.133 1.450 -21.558 1.00 0.00 H new ATOM 0 HB3 LEU A 96 6.658 0.706 -21.119 1.00 0.00 H new ATOM 0 HG LEU A 96 6.610 1.352 -23.977 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.625 3.817 -23.714 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.052 3.133 -23.238 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.218 3.636 -21.991 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.719 2.502 -23.356 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.311 2.320 -21.634 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.638 0.881 -22.627 1.00 0.00 H new ATOM 1576 N GLY A 97 4.357 -1.194 -20.668 1.00 0.00 N ATOM 1577 CA GLY A 97 4.060 -2.185 -19.595 1.00 0.00 C ATOM 1578 C GLY A 97 3.123 -1.556 -18.563 1.00 0.00 C ATOM 1579 O GLY A 97 3.483 -1.366 -17.418 1.00 0.00 O ATOM 0 H GLY A 97 3.786 -0.349 -20.649 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.600 -3.075 -20.025 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.985 -2.505 -19.115 1.00 0.00 H new ATOM 1583 N ALA A 98 1.923 -1.231 -18.958 1.00 0.00 N ATOM 1584 CA ALA A 98 0.964 -0.614 -17.999 1.00 0.00 C ATOM 1585 C ALA A 98 -0.404 -1.284 -18.143 1.00 0.00 C ATOM 1586 O ALA A 98 -1.020 -1.241 -19.190 1.00 0.00 O ATOM 1587 CB ALA A 98 0.834 0.881 -18.297 1.00 0.00 C ATOM 0 H ALA A 98 1.565 -1.366 -19.904 1.00 0.00 H new ATOM 0 HA ALA A 98 1.330 -0.751 -16.981 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.132 1.332 -17.595 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.808 1.359 -18.194 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.469 1.019 -19.315 1.00 0.00 H new ATOM 1593 N LEU A 99 -0.885 -1.905 -17.101 1.00 0.00 N ATOM 1594 CA LEU A 99 -2.212 -2.577 -17.180 1.00 0.00 C ATOM 1595 C LEU A 99 -3.316 -1.518 -17.246 1.00 0.00 C ATOM 1596 O LEU A 99 -3.944 -1.326 -18.268 1.00 0.00 O ATOM 1597 CB LEU A 99 -2.417 -3.450 -15.940 1.00 0.00 C ATOM 1598 CG LEU A 99 -1.141 -4.245 -15.659 1.00 0.00 C ATOM 1599 CD1 LEU A 99 -0.747 -4.075 -14.190 1.00 0.00 C ATOM 1600 CD2 LEU A 99 -1.390 -5.726 -15.951 1.00 0.00 C ATOM 0 H LEU A 99 -0.416 -1.976 -16.198 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.251 -3.200 -18.073 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -2.667 -2.827 -15.081 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.255 -4.130 -16.095 1.00 0.00 H new ATOM 0 HG LEU A 99 -0.336 -3.878 -16.296 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.162 -4.641 -13.989 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.571 -3.020 -13.980 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.551 -4.442 -13.553 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.481 -6.294 -15.751 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -2.195 -6.092 -15.313 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.672 -5.848 -16.997 1.00 0.00 H new ATOM 1612 N THR A 100 -3.558 -0.831 -16.164 1.00 0.00 N ATOM 1613 CA THR A 100 -4.621 0.213 -16.166 1.00 0.00 C ATOM 1614 C THR A 100 -4.012 1.561 -15.775 1.00 0.00 C ATOM 1615 O THR A 100 -2.859 1.647 -15.400 1.00 0.00 O ATOM 1616 CB THR A 100 -5.711 -0.165 -15.160 1.00 0.00 C ATOM 1617 OG1 THR A 100 -6.821 0.707 -15.318 1.00 0.00 O ATOM 1618 CG2 THR A 100 -5.160 -0.044 -13.738 1.00 0.00 C ATOM 0 H THR A 100 -3.066 -0.947 -15.278 1.00 0.00 H new ATOM 0 HA THR A 100 -5.056 0.286 -17.163 1.00 0.00 H new ATOM 0 HB THR A 100 -6.029 -1.193 -15.336 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.521 0.465 -14.676 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.937 -0.313 -13.023 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.309 -0.715 -13.619 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.841 0.982 -13.558 1.00 0.00 H new ATOM 1626 N HIS A 101 -4.777 2.616 -15.859 1.00 0.00 N ATOM 1627 CA HIS A 101 -4.241 3.955 -15.492 1.00 0.00 C ATOM 1628 C HIS A 101 -5.307 4.742 -14.727 1.00 0.00 C ATOM 1629 O HIS A 101 -6.113 5.440 -15.310 1.00 0.00 O ATOM 1630 CB HIS A 101 -3.858 4.718 -16.761 1.00 0.00 C ATOM 1631 CG HIS A 101 -3.033 5.920 -16.393 1.00 0.00 C ATOM 1632 ND1 HIS A 101 -2.176 6.532 -17.294 1.00 0.00 N ATOM 1633 CD2 HIS A 101 -2.921 6.635 -15.225 1.00 0.00 C ATOM 1634 CE1 HIS A 101 -1.592 7.566 -16.661 1.00 0.00 C ATOM 1635 NE2 HIS A 101 -2.011 7.673 -15.397 1.00 0.00 N ATOM 0 H HIS A 101 -5.750 2.607 -16.166 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.360 3.831 -14.862 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -3.296 4.069 -17.432 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.755 5.029 -17.296 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -2.017 6.250 -18.261 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.458 6.423 -14.312 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -0.872 8.228 -17.119 1.00 0.00 H new ATOM 1643 N PHE A 102 -5.319 4.634 -13.428 1.00 0.00 N ATOM 1644 CA PHE A 102 -6.332 5.376 -12.629 1.00 0.00 C ATOM 1645 C PHE A 102 -5.974 6.864 -12.609 1.00 0.00 C ATOM 1646 O PHE A 102 -5.126 7.319 -13.350 1.00 0.00 O ATOM 1647 CB PHE A 102 -6.348 4.833 -11.197 1.00 0.00 C ATOM 1648 CG PHE A 102 -7.151 3.556 -11.153 1.00 0.00 C ATOM 1649 CD1 PHE A 102 -8.548 3.603 -11.243 1.00 0.00 C ATOM 1650 CD2 PHE A 102 -6.500 2.322 -11.023 1.00 0.00 C ATOM 1651 CE1 PHE A 102 -9.293 2.419 -11.202 1.00 0.00 C ATOM 1652 CE2 PHE A 102 -7.246 1.138 -10.981 1.00 0.00 C ATOM 1653 CZ PHE A 102 -8.642 1.186 -11.071 1.00 0.00 C ATOM 0 H PHE A 102 -4.671 4.064 -12.885 1.00 0.00 H new ATOM 0 HA PHE A 102 -7.317 5.246 -13.077 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.330 4.647 -10.856 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.781 5.571 -10.522 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -9.051 4.554 -11.344 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -5.423 2.284 -10.955 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -10.370 2.456 -11.271 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -6.744 0.187 -10.879 1.00 0.00 H new ATOM 0 HZ PHE A 102 -9.217 0.272 -11.039 1.00 0.00 H new ATOM 1663 N ALA A 103 -6.617 7.627 -11.767 1.00 0.00 N ATOM 1664 CA ALA A 103 -6.317 9.084 -11.698 1.00 0.00 C ATOM 1665 C ALA A 103 -6.995 9.682 -10.463 1.00 0.00 C ATOM 1666 O ALA A 103 -7.137 9.032 -9.447 1.00 0.00 O ATOM 1667 CB ALA A 103 -6.846 9.774 -12.956 1.00 0.00 C ATOM 0 H ALA A 103 -7.338 7.302 -11.123 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.239 9.233 -11.630 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.627 10.840 -12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.365 9.346 -13.835 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.924 9.628 -13.025 1.00 0.00 H new ATOM 1673 N LYS A 104 -7.414 10.916 -10.539 1.00 0.00 N ATOM 1674 CA LYS A 104 -8.083 11.545 -9.366 1.00 0.00 C ATOM 1675 C LYS A 104 -9.303 12.344 -9.843 1.00 0.00 C ATOM 1676 O LYS A 104 -9.223 13.058 -10.823 1.00 0.00 O ATOM 1677 CB LYS A 104 -7.101 12.484 -8.663 1.00 0.00 C ATOM 1678 CG LYS A 104 -6.676 13.593 -9.628 1.00 0.00 C ATOM 1679 CD LYS A 104 -5.323 14.160 -9.191 1.00 0.00 C ATOM 1680 CE LYS A 104 -5.545 15.284 -8.176 1.00 0.00 C ATOM 1681 NZ LYS A 104 -4.295 15.501 -7.394 1.00 0.00 N ATOM 0 H LYS A 104 -7.322 11.514 -11.360 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.405 10.770 -8.671 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -7.566 12.917 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -6.227 11.927 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -6.607 13.200 -10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -7.426 14.384 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.712 13.373 -8.750 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.779 14.539 -10.056 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.829 16.202 -8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.366 15.027 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.445 16.265 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.043 14.626 -6.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.523 15.764 -8.039 1.00 0.00 H new ATOM 1695 N PRO A 105 -10.397 12.202 -9.136 1.00 0.00 N ATOM 1696 CA PRO A 105 -10.489 11.335 -7.946 1.00 0.00 C ATOM 1697 C PRO A 105 -10.619 9.867 -8.367 1.00 0.00 C ATOM 1698 O PRO A 105 -11.328 9.539 -9.297 1.00 0.00 O ATOM 1699 CB PRO A 105 -11.761 11.818 -7.247 1.00 0.00 C ATOM 1700 CG PRO A 105 -12.616 12.518 -8.330 1.00 0.00 C ATOM 1701 CD PRO A 105 -11.652 12.904 -9.469 1.00 0.00 C ATOM 0 HA PRO A 105 -9.610 11.391 -7.304 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -12.303 10.982 -6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -11.521 12.506 -6.437 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -13.400 11.854 -8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -13.109 13.401 -7.924 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -12.037 12.592 -10.440 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -11.504 13.983 -9.517 1.00 0.00 H new ATOM 1709 N PHE A 106 -9.938 8.983 -7.689 1.00 0.00 N ATOM 1710 CA PHE A 106 -10.023 7.541 -8.051 1.00 0.00 C ATOM 1711 C PHE A 106 -10.997 6.831 -7.110 1.00 0.00 C ATOM 1712 O PHE A 106 -11.465 7.397 -6.142 1.00 0.00 O ATOM 1713 CB PHE A 106 -8.639 6.900 -7.927 1.00 0.00 C ATOM 1714 CG PHE A 106 -8.034 7.266 -6.592 1.00 0.00 C ATOM 1715 CD1 PHE A 106 -8.290 6.473 -5.467 1.00 0.00 C ATOM 1716 CD2 PHE A 106 -7.218 8.398 -6.480 1.00 0.00 C ATOM 1717 CE1 PHE A 106 -7.730 6.812 -4.229 1.00 0.00 C ATOM 1718 CE2 PHE A 106 -6.657 8.736 -5.241 1.00 0.00 C ATOM 1719 CZ PHE A 106 -6.913 7.944 -4.116 1.00 0.00 C ATOM 0 H PHE A 106 -9.327 9.198 -6.901 1.00 0.00 H new ATOM 0 HA PHE A 106 -10.378 7.448 -9.078 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -8.718 5.817 -8.018 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -7.994 7.241 -8.737 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -8.919 5.600 -5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -7.021 9.010 -7.348 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -7.928 6.200 -3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.026 9.609 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.481 8.205 -3.161 1.00 0.00 H new ATOM 1729 N ASP A 107 -11.303 5.592 -7.384 1.00 0.00 N ATOM 1730 CA ASP A 107 -12.244 4.844 -6.505 1.00 0.00 C ATOM 1731 C ASP A 107 -11.499 3.691 -5.830 1.00 0.00 C ATOM 1732 O ASP A 107 -11.095 2.742 -6.472 1.00 0.00 O ATOM 1733 CB ASP A 107 -13.393 4.284 -7.346 1.00 0.00 C ATOM 1734 CG ASP A 107 -14.565 3.923 -6.432 1.00 0.00 C ATOM 1735 OD1 ASP A 107 -14.491 4.234 -5.255 1.00 0.00 O ATOM 1736 OD2 ASP A 107 -15.518 3.340 -6.925 1.00 0.00 O ATOM 0 H ASP A 107 -10.941 5.066 -8.179 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.644 5.515 -5.745 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -13.708 5.020 -8.086 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -13.061 3.403 -7.894 1.00 0.00 H new ATOM 1741 N ILE A 108 -11.315 3.764 -4.541 1.00 0.00 N ATOM 1742 CA ILE A 108 -10.596 2.669 -3.831 1.00 0.00 C ATOM 1743 C ILE A 108 -11.279 1.334 -4.133 1.00 0.00 C ATOM 1744 O ILE A 108 -10.701 0.279 -3.963 1.00 0.00 O ATOM 1745 CB ILE A 108 -10.623 2.935 -2.324 1.00 0.00 C ATOM 1746 CG1 ILE A 108 -9.657 4.074 -1.993 1.00 0.00 C ATOM 1747 CG2 ILE A 108 -10.195 1.672 -1.570 1.00 0.00 C ATOM 1748 CD1 ILE A 108 -8.283 3.772 -2.597 1.00 0.00 C ATOM 0 H ILE A 108 -11.631 4.533 -3.949 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.561 2.630 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.634 3.211 -2.023 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.040 5.015 -2.387 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.573 4.191 -0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -10.215 1.864 -0.497 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.880 0.858 -1.806 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -9.185 1.394 -1.870 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.595 4.584 -2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -7.900 2.840 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -8.374 3.677 -3.679 1.00 0.00 H new ATOM 1760 N ASP A 109 -12.502 1.371 -4.586 1.00 0.00 N ATOM 1761 CA ASP A 109 -13.215 0.102 -4.905 1.00 0.00 C ATOM 1762 C ASP A 109 -12.633 -0.492 -6.189 1.00 0.00 C ATOM 1763 O ASP A 109 -12.332 -1.668 -6.261 1.00 0.00 O ATOM 1764 CB ASP A 109 -14.705 0.387 -5.102 1.00 0.00 C ATOM 1765 CG ASP A 109 -15.388 0.505 -3.738 1.00 0.00 C ATOM 1766 OD1 ASP A 109 -15.349 -0.460 -2.993 1.00 0.00 O ATOM 1767 OD2 ASP A 109 -15.938 1.559 -3.463 1.00 0.00 O ATOM 0 H ASP A 109 -13.038 2.224 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 109 -13.090 -0.605 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.838 1.309 -5.668 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -15.165 -0.412 -5.683 1.00 0.00 H new ATOM 1772 N GLU A 110 -12.466 0.314 -7.202 1.00 0.00 N ATOM 1773 CA GLU A 110 -11.899 -0.203 -8.479 1.00 0.00 C ATOM 1774 C GLU A 110 -10.441 -0.608 -8.255 1.00 0.00 C ATOM 1775 O GLU A 110 -9.949 -1.548 -8.847 1.00 0.00 O ATOM 1776 CB GLU A 110 -11.966 0.890 -9.548 1.00 0.00 C ATOM 1777 CG GLU A 110 -13.428 1.164 -9.906 1.00 0.00 C ATOM 1778 CD GLU A 110 -13.491 2.107 -11.110 1.00 0.00 C ATOM 1779 OE1 GLU A 110 -13.423 1.617 -12.224 1.00 0.00 O ATOM 1780 OE2 GLU A 110 -13.608 3.302 -10.896 1.00 0.00 O ATOM 0 H GLU A 110 -12.698 1.307 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 110 -12.473 -1.068 -8.810 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -11.493 1.801 -9.182 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -11.415 0.580 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -13.939 0.229 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -13.945 1.608 -9.055 1.00 0.00 H new ATOM 1787 N ILE A 111 -9.748 0.093 -7.400 1.00 0.00 N ATOM 1788 CA ILE A 111 -8.324 -0.253 -7.132 1.00 0.00 C ATOM 1789 C ILE A 111 -8.267 -1.555 -6.335 1.00 0.00 C ATOM 1790 O ILE A 111 -7.377 -2.364 -6.505 1.00 0.00 O ATOM 1791 CB ILE A 111 -7.669 0.867 -6.320 1.00 0.00 C ATOM 1792 CG1 ILE A 111 -7.965 2.217 -6.978 1.00 0.00 C ATOM 1793 CG2 ILE A 111 -6.156 0.647 -6.274 1.00 0.00 C ATOM 1794 CD1 ILE A 111 -7.206 2.317 -8.300 1.00 0.00 C ATOM 0 H ILE A 111 -10.107 0.891 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.793 -0.374 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 111 -8.070 0.860 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -9.036 2.321 -7.152 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -7.669 3.030 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.690 1.445 -5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -5.942 -0.314 -5.805 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -5.756 0.653 -7.288 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -7.417 3.278 -8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -6.136 2.232 -8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.523 1.513 -8.964 1.00 0.00 H new ATOM 1806 N ARG A 112 -9.214 -1.762 -5.463 1.00 0.00 N ATOM 1807 CA ARG A 112 -9.226 -3.009 -4.649 1.00 0.00 C ATOM 1808 C ARG A 112 -9.404 -4.218 -5.569 1.00 0.00 C ATOM 1809 O ARG A 112 -8.663 -5.179 -5.499 1.00 0.00 O ATOM 1810 CB ARG A 112 -10.387 -2.950 -3.655 1.00 0.00 C ATOM 1811 CG ARG A 112 -9.951 -2.207 -2.399 1.00 0.00 C ATOM 1812 CD ARG A 112 -10.946 -2.479 -1.267 1.00 0.00 C ATOM 1813 NE ARG A 112 -11.693 -3.748 -1.513 1.00 0.00 N ATOM 1814 CZ ARG A 112 -11.120 -4.901 -1.289 1.00 0.00 C ATOM 1815 NH1 ARG A 112 -9.892 -4.950 -0.848 1.00 0.00 N ATOM 1816 NH2 ARG A 112 -11.778 -6.007 -1.505 1.00 0.00 N ATOM 0 H ARG A 112 -9.983 -1.118 -5.279 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.284 -3.102 -4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.241 -2.447 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -10.710 -3.959 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -8.952 -2.528 -2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -9.896 -1.137 -2.599 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.415 -2.542 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -11.647 -1.649 -1.185 1.00 0.00 H new ATOM 0 HE ARG A 112 -12.653 -3.715 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -9.377 -4.087 -0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -9.448 -5.852 -0.674 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -12.738 -5.971 -1.848 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -11.332 -6.908 -1.331 1.00 0.00 H new ATOM 1830 N ASP A 113 -10.386 -4.182 -6.428 1.00 0.00 N ATOM 1831 CA ASP A 113 -10.615 -5.331 -7.347 1.00 0.00 C ATOM 1832 C ASP A 113 -9.454 -5.441 -8.337 1.00 0.00 C ATOM 1833 O ASP A 113 -8.741 -6.424 -8.365 1.00 0.00 O ATOM 1834 CB ASP A 113 -11.920 -5.114 -8.117 1.00 0.00 C ATOM 1835 CG ASP A 113 -13.109 -5.341 -7.183 1.00 0.00 C ATOM 1836 OD1 ASP A 113 -13.057 -6.283 -6.408 1.00 0.00 O ATOM 1837 OD2 ASP A 113 -14.051 -4.570 -7.255 1.00 0.00 O ATOM 0 H ASP A 113 -11.039 -3.406 -6.533 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.681 -6.250 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -11.951 -4.103 -8.523 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.973 -5.799 -8.963 1.00 0.00 H new ATOM 1842 N ALA A 114 -9.258 -4.443 -9.153 1.00 0.00 N ATOM 1843 CA ALA A 114 -8.145 -4.494 -10.143 1.00 0.00 C ATOM 1844 C ALA A 114 -6.880 -5.028 -9.469 1.00 0.00 C ATOM 1845 O ALA A 114 -6.135 -5.797 -10.042 1.00 0.00 O ATOM 1846 CB ALA A 114 -7.878 -3.087 -10.683 1.00 0.00 C ATOM 0 H ALA A 114 -9.821 -3.593 -9.177 1.00 0.00 H new ATOM 0 HA ALA A 114 -8.423 -5.154 -10.964 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -7.064 -3.124 -11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -8.777 -2.706 -11.167 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -7.602 -2.428 -9.860 1.00 0.00 H new ATOM 1852 N VAL A 115 -6.632 -4.625 -8.253 1.00 0.00 N ATOM 1853 CA VAL A 115 -5.415 -5.106 -7.541 1.00 0.00 C ATOM 1854 C VAL A 115 -5.536 -6.609 -7.274 1.00 0.00 C ATOM 1855 O VAL A 115 -4.595 -7.357 -7.445 1.00 0.00 O ATOM 1856 CB VAL A 115 -5.277 -4.359 -6.214 1.00 0.00 C ATOM 1857 CG1 VAL A 115 -4.240 -5.057 -5.333 1.00 0.00 C ATOM 1858 CG2 VAL A 115 -4.828 -2.921 -6.485 1.00 0.00 C ATOM 0 H VAL A 115 -7.220 -3.983 -7.722 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.535 -4.920 -8.157 1.00 0.00 H new ATOM 0 HB VAL A 115 -6.239 -4.353 -5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.145 -4.521 -4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -4.558 -6.081 -5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -3.277 -5.067 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.729 -2.387 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -3.867 -2.931 -6.999 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.568 -2.420 -7.109 1.00 0.00 H new ATOM 1868 N LYS A 116 -6.688 -7.056 -6.853 1.00 0.00 N ATOM 1869 CA LYS A 116 -6.865 -8.510 -6.572 1.00 0.00 C ATOM 1870 C LYS A 116 -6.645 -9.311 -7.858 1.00 0.00 C ATOM 1871 O LYS A 116 -5.780 -10.162 -7.930 1.00 0.00 O ATOM 1872 CB LYS A 116 -8.281 -8.758 -6.051 1.00 0.00 C ATOM 1873 CG LYS A 116 -8.431 -8.134 -4.662 1.00 0.00 C ATOM 1874 CD LYS A 116 -9.379 -8.989 -3.817 1.00 0.00 C ATOM 1875 CE LYS A 116 -8.807 -10.400 -3.677 1.00 0.00 C ATOM 1876 NZ LYS A 116 -7.337 -10.319 -3.440 1.00 0.00 N ATOM 0 H LYS A 116 -7.513 -6.479 -6.692 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.141 -8.826 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -9.012 -8.328 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -8.480 -9.829 -6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -7.458 -8.063 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -8.819 -7.119 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -9.511 -8.540 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -10.363 -9.029 -4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -9.291 -10.920 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -9.009 -10.977 -4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -7.013 -11.188 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -6.844 -10.213 -4.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -7.128 -9.500 -2.835 1.00 0.00 H new ATOM 1890 N LYS A 117 -7.423 -9.051 -8.872 1.00 0.00 N ATOM 1891 CA LYS A 117 -7.261 -9.801 -10.150 1.00 0.00 C ATOM 1892 C LYS A 117 -5.781 -9.842 -10.536 1.00 0.00 C ATOM 1893 O LYS A 117 -5.209 -10.898 -10.724 1.00 0.00 O ATOM 1894 CB LYS A 117 -8.057 -9.103 -11.255 1.00 0.00 C ATOM 1895 CG LYS A 117 -9.467 -8.791 -10.750 1.00 0.00 C ATOM 1896 CD LYS A 117 -10.490 -9.175 -11.823 1.00 0.00 C ATOM 1897 CE LYS A 117 -11.695 -9.847 -11.162 1.00 0.00 C ATOM 1898 NZ LYS A 117 -12.128 -11.010 -11.986 1.00 0.00 N ATOM 0 H LYS A 117 -8.165 -8.351 -8.871 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.630 -10.819 -10.022 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -7.555 -8.183 -11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -8.108 -9.740 -12.138 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.665 -9.341 -9.830 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.554 -7.731 -10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.810 -8.288 -12.370 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.036 -9.850 -12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.435 -10.177 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -12.513 -9.134 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.947 -11.468 -11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -12.392 -10.682 -12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.347 -11.693 -12.060 1.00 0.00 H new ATOM 1912 N TYR A 118 -5.157 -8.703 -10.656 1.00 0.00 N ATOM 1913 CA TYR A 118 -3.715 -8.679 -11.031 1.00 0.00 C ATOM 1914 C TYR A 118 -2.928 -9.600 -10.096 1.00 0.00 C ATOM 1915 O TYR A 118 -2.485 -10.662 -10.484 1.00 0.00 O ATOM 1916 CB TYR A 118 -3.179 -7.251 -10.911 1.00 0.00 C ATOM 1917 CG TYR A 118 -3.999 -6.328 -11.782 1.00 0.00 C ATOM 1918 CD1 TYR A 118 -4.623 -6.821 -12.934 1.00 0.00 C ATOM 1919 CD2 TYR A 118 -4.134 -4.979 -11.437 1.00 0.00 C ATOM 1920 CE1 TYR A 118 -5.381 -5.965 -13.741 1.00 0.00 C ATOM 1921 CE2 TYR A 118 -4.892 -4.122 -12.243 1.00 0.00 C ATOM 1922 CZ TYR A 118 -5.516 -4.615 -13.396 1.00 0.00 C ATOM 1923 OH TYR A 118 -6.264 -3.770 -14.190 1.00 0.00 O ATOM 0 H TYR A 118 -5.583 -7.788 -10.511 1.00 0.00 H new ATOM 0 HA TYR A 118 -3.602 -9.024 -12.059 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.222 -6.922 -9.873 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -2.132 -7.218 -11.213 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.519 -7.863 -13.200 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -3.653 -4.599 -10.548 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -5.862 -6.346 -14.630 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -4.996 -3.081 -11.976 1.00 0.00 H new ATOM 0 HH TYR A 118 -6.255 -2.868 -13.807 1.00 0.00 H new ATOM 1933 N LEU A 119 -2.752 -9.200 -8.866 1.00 0.00 N ATOM 1934 CA LEU A 119 -1.994 -10.050 -7.907 1.00 0.00 C ATOM 1935 C LEU A 119 -2.963 -10.997 -7.183 1.00 0.00 C ATOM 1936 O LEU A 119 -3.787 -10.554 -6.409 1.00 0.00 O ATOM 1937 CB LEU A 119 -1.301 -9.154 -6.877 1.00 0.00 C ATOM 1938 CG LEU A 119 -0.427 -10.012 -5.960 1.00 0.00 C ATOM 1939 CD1 LEU A 119 1.035 -9.896 -6.395 1.00 0.00 C ATOM 1940 CD2 LEU A 119 -0.570 -9.522 -4.517 1.00 0.00 C ATOM 0 H LEU A 119 -3.101 -8.321 -8.485 1.00 0.00 H new ATOM 0 HA LEU A 119 -1.250 -10.634 -8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.691 -8.405 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.044 -8.615 -6.289 1.00 0.00 H new ATOM 0 HG LEU A 119 -0.744 -11.053 -6.024 1.00 0.00 H new ATOM 0 HD11 LEU A 119 1.658 -10.507 -5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.137 -10.243 -7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 119 1.352 -8.855 -6.330 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.052 -10.132 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -0.252 -8.481 -4.453 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -1.612 -9.603 -4.207 1.00 0.00 H new ATOM 1952 N PRO A 120 -2.837 -12.274 -7.455 1.00 0.00 N ATOM 1953 CA PRO A 120 -3.695 -13.299 -6.837 1.00 0.00 C ATOM 1954 C PRO A 120 -3.229 -13.595 -5.408 1.00 0.00 C ATOM 1955 O PRO A 120 -2.072 -13.435 -5.077 1.00 0.00 O ATOM 1956 CB PRO A 120 -3.500 -14.522 -7.738 1.00 0.00 C ATOM 1957 CG PRO A 120 -2.146 -14.320 -8.459 1.00 0.00 C ATOM 1958 CD PRO A 120 -1.835 -12.813 -8.397 1.00 0.00 C ATOM 0 HA PRO A 120 -4.739 -12.995 -6.760 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -3.494 -15.440 -7.151 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -4.314 -14.609 -8.457 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -1.359 -14.898 -7.975 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -2.203 -14.662 -9.492 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -0.819 -12.630 -8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -1.921 -12.348 -9.379 1.00 0.00 H new ATOM 1966 N LEU A 121 -4.122 -14.026 -4.559 1.00 0.00 N ATOM 1967 CA LEU A 121 -3.729 -14.330 -3.155 1.00 0.00 C ATOM 1968 C LEU A 121 -3.910 -15.826 -2.888 1.00 0.00 C ATOM 1969 O LEU A 121 -4.888 -16.247 -2.302 1.00 0.00 O ATOM 1970 CB LEU A 121 -4.610 -13.529 -2.193 1.00 0.00 C ATOM 1971 CG LEU A 121 -3.734 -12.589 -1.362 1.00 0.00 C ATOM 1972 CD1 LEU A 121 -4.620 -11.746 -0.443 1.00 0.00 C ATOM 1973 CD2 LEU A 121 -2.763 -13.414 -0.516 1.00 0.00 C ATOM 0 H LEU A 121 -5.106 -14.180 -4.778 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.685 -14.057 -3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -5.349 -12.955 -2.752 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -5.160 -14.205 -1.538 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.172 -11.933 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.997 -11.076 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.314 -11.159 -1.045 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.182 -12.402 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.138 -12.746 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -3.326 -14.069 0.149 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -2.132 -14.016 -1.170 1.00 0.00 H new