USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 839 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 80 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 83 ASN : amide:sc= -1.73! C(o=-1.7!,f=-7.6!) USER MOD Set 2.1: A 32 GLN : amide:sc= -1.05! C(o=-1!,f=-6.4!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0.00223 USER MOD Set 3.1: A 20 GLN : amide:sc= -5.63! C(o=-4.5!,f=-13!) USER MOD Set 3.2: A 62 CYS SG : rot 85:sc= 1.16 USER MOD Single : A 1 ALA N :NH3+ 171:sc= 0 (180deg=-0.103) USER MOD Single : A 3 TYR OH : rot 30:sc= -1.57 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -107:sc= -2.39 (180deg=-5.45!) USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.314 (180deg=-0.543) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -6.41! C(o=-9.7!,f=-6.4!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -122:sc= -0.0876 (180deg=-0.771) USER MOD Single : A 24 HIS : no HD1:sc= -13.2! C(o=-13!,f=-21!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= -0.146 (180deg=-0.93) USER MOD Single : A 29 SER OG : rot 180:sc= 0.00159 USER MOD Single : A 30 ASN :FLIP amide:sc= -4.34! C(o=-9!,f=-4.3!) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 44 TYR OH : rot 30:sc= -0.0571 USER MOD Single : A 45 TYR OH : rot 30:sc= -4.34! USER MOD Single : A 46 THR OG1 : rot -75:sc= -0.35 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.0991 K(o=0.099,f=-0.44) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc= 0.875 (180deg=0.727) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 161:sc= -0.0248 (180deg=-0.714) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.28 X(o=-0.28,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 159:sc= -0.0965 (180deg=-0.686) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -21.025 -8.616 8.373 1.00 0.00 N ATOM 2 CA ALA A 1 -20.100 -9.429 9.212 1.00 0.00 C ATOM 3 C ALA A 1 -19.736 -10.717 8.470 1.00 0.00 C ATOM 4 O ALA A 1 -19.622 -11.773 9.060 1.00 0.00 O ATOM 5 CB ALA A 1 -20.785 -9.778 10.534 1.00 0.00 C ATOM 0 H1 ALA A 1 -21.392 -7.820 8.933 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.512 -8.250 7.545 1.00 0.00 H new ATOM 0 H3 ALA A 1 -21.817 -9.210 8.055 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.194 -8.857 9.412 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -20.109 -10.373 11.148 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -21.044 -8.861 11.063 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -21.691 -10.350 10.334 1.00 0.00 H new ATOM 11 N GLY A 2 -19.552 -10.638 7.181 1.00 0.00 N ATOM 12 CA GLY A 2 -19.196 -11.858 6.403 1.00 0.00 C ATOM 13 C GLY A 2 -19.324 -11.562 4.907 1.00 0.00 C ATOM 14 O GLY A 2 -20.380 -11.702 4.325 1.00 0.00 O ATOM 0 H GLY A 2 -19.633 -9.782 6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -18.178 -12.168 6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -19.852 -12.683 6.679 1.00 0.00 H new ATOM 18 N TYR A 3 -18.255 -11.150 4.283 1.00 0.00 N ATOM 19 CA TYR A 3 -18.316 -10.843 2.826 1.00 0.00 C ATOM 20 C TYR A 3 -18.195 -12.142 2.021 1.00 0.00 C ATOM 21 O TYR A 3 -18.194 -13.226 2.569 1.00 0.00 O ATOM 22 CB TYR A 3 -17.167 -9.897 2.458 1.00 0.00 C ATOM 23 CG TYR A 3 -15.875 -10.674 2.367 1.00 0.00 C ATOM 24 CD1 TYR A 3 -15.127 -10.930 3.523 1.00 0.00 C ATOM 25 CD2 TYR A 3 -15.426 -11.139 1.126 1.00 0.00 C ATOM 26 CE1 TYR A 3 -13.931 -11.651 3.436 1.00 0.00 C ATOM 27 CE2 TYR A 3 -14.231 -11.861 1.039 1.00 0.00 C ATOM 28 CZ TYR A 3 -13.483 -12.118 2.194 1.00 0.00 C ATOM 29 OH TYR A 3 -12.304 -12.830 2.108 1.00 0.00 O ATOM 0 H TYR A 3 -17.343 -11.013 4.718 1.00 0.00 H new ATOM 0 HA TYR A 3 -19.268 -10.365 2.593 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -17.376 -9.409 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -17.077 -9.110 3.207 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -15.473 -10.571 4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -16.002 -10.940 0.235 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -13.353 -11.847 4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.886 -12.220 0.081 1.00 0.00 H new ATOM 0 HH TYR A 3 -12.157 -13.322 2.943 1.00 0.00 H new ATOM 39 N THR A 4 -18.090 -12.037 0.724 1.00 0.00 N ATOM 40 CA THR A 4 -17.965 -13.258 -0.120 1.00 0.00 C ATOM 41 C THR A 4 -17.282 -12.892 -1.439 1.00 0.00 C ATOM 42 O THR A 4 -17.039 -11.736 -1.722 1.00 0.00 O ATOM 43 CB THR A 4 -19.357 -13.829 -0.410 1.00 0.00 C ATOM 44 OG1 THR A 4 -20.203 -12.790 -0.883 1.00 0.00 O ATOM 45 CG2 THR A 4 -19.948 -14.427 0.868 1.00 0.00 C ATOM 0 H THR A 4 -18.085 -11.155 0.212 1.00 0.00 H new ATOM 0 HA THR A 4 -17.371 -14.005 0.407 1.00 0.00 H new ATOM 0 HB THR A 4 -19.277 -14.609 -1.167 1.00 0.00 H new ATOM 0 HG1 THR A 4 -21.094 -13.153 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 4 -20.938 -14.832 0.656 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.300 -15.225 1.230 1.00 0.00 H new ATOM 0 HG23 THR A 4 -20.028 -13.651 1.629 1.00 0.00 H new ATOM 53 N GLU A 5 -16.972 -13.865 -2.251 1.00 0.00 N ATOM 54 CA GLU A 5 -16.306 -13.567 -3.549 1.00 0.00 C ATOM 55 C GLU A 5 -17.052 -12.435 -4.258 1.00 0.00 C ATOM 56 O GLU A 5 -16.470 -11.440 -4.644 1.00 0.00 O ATOM 57 CB GLU A 5 -16.325 -14.818 -4.431 1.00 0.00 C ATOM 58 CG GLU A 5 -15.436 -15.896 -3.809 1.00 0.00 C ATOM 59 CD GLU A 5 -15.420 -17.129 -4.715 1.00 0.00 C ATOM 60 OE1 GLU A 5 -14.565 -17.191 -5.583 1.00 0.00 O ATOM 61 OE2 GLU A 5 -16.263 -17.991 -4.524 1.00 0.00 O ATOM 0 H GLU A 5 -17.151 -14.853 -2.071 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.275 -13.265 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.345 -15.188 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.972 -14.574 -5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.423 -15.516 -3.677 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.808 -16.163 -2.820 1.00 0.00 H new ATOM 68 N ILE A 6 -18.338 -12.578 -4.433 1.00 0.00 N ATOM 69 CA ILE A 6 -19.122 -11.512 -5.116 1.00 0.00 C ATOM 70 C ILE A 6 -18.932 -10.187 -4.377 1.00 0.00 C ATOM 71 O ILE A 6 -18.440 -9.224 -4.930 1.00 0.00 O ATOM 72 CB ILE A 6 -20.607 -11.897 -5.114 1.00 0.00 C ATOM 73 CG1 ILE A 6 -20.768 -13.331 -5.634 1.00 0.00 C ATOM 74 CG2 ILE A 6 -21.396 -10.935 -6.007 1.00 0.00 C ATOM 75 CD1 ILE A 6 -20.039 -13.488 -6.972 1.00 0.00 C ATOM 0 H ILE A 6 -18.879 -13.388 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 6 -18.776 -11.403 -6.144 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.991 -11.835 -4.096 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -20.367 -14.037 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -21.825 -13.566 -5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -22.450 -11.214 -6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -21.288 -9.918 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -21.013 -10.987 -7.026 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -20.159 -14.509 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -20.460 -12.794 -7.699 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -18.979 -13.273 -6.836 1.00 0.00 H new ATOM 87 N GLU A 7 -19.315 -10.128 -3.130 1.00 0.00 N ATOM 88 CA GLU A 7 -19.149 -8.864 -2.359 1.00 0.00 C ATOM 89 C GLU A 7 -17.730 -8.329 -2.568 1.00 0.00 C ATOM 90 O GLU A 7 -17.533 -7.200 -2.971 1.00 0.00 O ATOM 91 CB GLU A 7 -19.377 -9.145 -0.867 1.00 0.00 C ATOM 92 CG GLU A 7 -20.816 -8.789 -0.485 1.00 0.00 C ATOM 93 CD GLU A 7 -20.962 -7.267 -0.403 1.00 0.00 C ATOM 94 OE1 GLU A 7 -19.999 -6.619 -0.031 1.00 0.00 O ATOM 95 OE2 GLU A 7 -22.036 -6.778 -0.715 1.00 0.00 O ATOM 0 H GLU A 7 -19.735 -10.900 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 7 -19.872 -8.125 -2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.184 -10.196 -0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.677 -8.563 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.510 -9.192 -1.223 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -21.072 -9.241 0.473 1.00 0.00 H new ATOM 102 N LYS A 8 -16.743 -9.136 -2.298 1.00 0.00 N ATOM 103 CA LYS A 8 -15.341 -8.699 -2.471 1.00 0.00 C ATOM 104 C LYS A 8 -15.178 -7.986 -3.815 1.00 0.00 C ATOM 105 O LYS A 8 -14.540 -6.958 -3.902 1.00 0.00 O ATOM 106 CB LYS A 8 -14.453 -9.944 -2.414 1.00 0.00 C ATOM 107 CG LYS A 8 -13.040 -9.609 -2.888 1.00 0.00 C ATOM 108 CD LYS A 8 -12.846 -10.103 -4.325 1.00 0.00 C ATOM 109 CE LYS A 8 -11.447 -9.725 -4.818 1.00 0.00 C ATOM 110 NZ LYS A 8 -11.455 -8.316 -5.302 1.00 0.00 N ATOM 0 H LYS A 8 -16.856 -10.092 -1.960 1.00 0.00 H new ATOM 0 HA LYS A 8 -15.057 -8.000 -1.684 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.420 -10.329 -1.395 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -14.877 -10.730 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.875 -8.533 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.306 -10.075 -2.231 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -12.977 -11.184 -4.369 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.602 -9.664 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.722 -9.840 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -11.139 -10.395 -5.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.402 -8.305 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.332 -7.849 -4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.637 -7.809 -4.908 1.00 0.00 H new ATOM 124 N LEU A 9 -15.742 -8.515 -4.864 1.00 0.00 N ATOM 125 CA LEU A 9 -15.601 -7.849 -6.189 1.00 0.00 C ATOM 126 C LEU A 9 -16.374 -6.526 -6.175 1.00 0.00 C ATOM 127 O LEU A 9 -15.912 -5.520 -6.676 1.00 0.00 O ATOM 128 CB LEU A 9 -16.160 -8.769 -7.288 1.00 0.00 C ATOM 129 CG LEU A 9 -15.018 -9.301 -8.163 1.00 0.00 C ATOM 130 CD1 LEU A 9 -15.498 -10.529 -8.939 1.00 0.00 C ATOM 131 CD2 LEU A 9 -14.584 -8.216 -9.155 1.00 0.00 C ATOM 0 H LEU A 9 -16.291 -9.374 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.548 -7.650 -6.390 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.700 -9.601 -6.836 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.874 -8.221 -7.903 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.175 -9.575 -7.528 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.686 -10.907 -9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.809 -11.304 -8.238 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.341 -10.253 -9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.772 -8.595 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.428 -7.943 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.242 -7.338 -8.607 1.00 0.00 H new ATOM 143 N GLU A 10 -17.549 -6.521 -5.609 1.00 0.00 N ATOM 144 CA GLU A 10 -18.352 -5.266 -5.569 1.00 0.00 C ATOM 145 C GLU A 10 -17.594 -4.187 -4.790 1.00 0.00 C ATOM 146 O GLU A 10 -17.417 -3.082 -5.264 1.00 0.00 O ATOM 147 CB GLU A 10 -19.700 -5.547 -4.893 1.00 0.00 C ATOM 148 CG GLU A 10 -20.714 -6.019 -5.939 1.00 0.00 C ATOM 149 CD GLU A 10 -20.124 -7.181 -6.743 1.00 0.00 C ATOM 150 OE1 GLU A 10 -19.145 -6.961 -7.438 1.00 0.00 O ATOM 151 OE2 GLU A 10 -20.662 -8.272 -6.654 1.00 0.00 O ATOM 0 H GLU A 10 -17.988 -7.331 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.523 -4.912 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -19.579 -6.307 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -20.065 -4.646 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.636 -6.334 -5.450 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.972 -5.197 -6.606 1.00 0.00 H new ATOM 158 N ILE A 11 -17.147 -4.488 -3.601 1.00 0.00 N ATOM 159 CA ILE A 11 -16.408 -3.458 -2.814 1.00 0.00 C ATOM 160 C ILE A 11 -15.051 -3.190 -3.466 1.00 0.00 C ATOM 161 O ILE A 11 -14.799 -2.112 -3.953 1.00 0.00 O ATOM 162 CB ILE A 11 -16.200 -3.935 -1.368 1.00 0.00 C ATOM 163 CG1 ILE A 11 -16.107 -5.467 -1.319 1.00 0.00 C ATOM 164 CG2 ILE A 11 -17.375 -3.471 -0.499 1.00 0.00 C ATOM 165 CD1 ILE A 11 -15.156 -5.890 -0.192 1.00 0.00 C ATOM 0 H ILE A 11 -17.259 -5.393 -3.144 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.995 -2.540 -2.800 1.00 0.00 H new ATOM 0 HB ILE A 11 -15.270 -3.510 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.095 -5.896 -1.155 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.748 -5.850 -2.274 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.226 -3.810 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -17.433 -2.383 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -18.303 -3.890 -0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.092 -6.978 -0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -14.166 -5.473 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.534 -5.520 0.761 1.00 0.00 H new ATOM 177 N VAL A 12 -14.174 -4.157 -3.478 1.00 0.00 N ATOM 178 CA VAL A 12 -12.829 -3.945 -4.093 1.00 0.00 C ATOM 179 C VAL A 12 -12.956 -3.113 -5.369 1.00 0.00 C ATOM 180 O VAL A 12 -12.113 -2.291 -5.669 1.00 0.00 O ATOM 181 CB VAL A 12 -12.190 -5.296 -4.422 1.00 0.00 C ATOM 182 CG1 VAL A 12 -10.914 -5.076 -5.240 1.00 0.00 C ATOM 183 CG2 VAL A 12 -11.838 -6.018 -3.120 1.00 0.00 C ATOM 0 H VAL A 12 -14.330 -5.087 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.199 -3.410 -3.382 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.891 -5.898 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.461 -6.039 -5.473 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.161 -4.557 -6.166 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.211 -4.474 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.382 -6.981 -3.350 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.136 -5.412 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.744 -6.176 -2.535 1.00 0.00 H new ATOM 193 N LYS A 13 -13.983 -3.325 -6.140 1.00 0.00 N ATOM 194 CA LYS A 13 -14.125 -2.545 -7.398 1.00 0.00 C ATOM 195 C LYS A 13 -14.726 -1.157 -7.132 1.00 0.00 C ATOM 196 O LYS A 13 -14.332 -0.181 -7.738 1.00 0.00 O ATOM 197 CB LYS A 13 -15.023 -3.311 -8.373 1.00 0.00 C ATOM 198 CG LYS A 13 -15.120 -2.540 -9.691 1.00 0.00 C ATOM 199 CD LYS A 13 -15.726 -3.444 -10.766 1.00 0.00 C ATOM 200 CE LYS A 13 -16.148 -2.596 -11.966 1.00 0.00 C ATOM 201 NZ LYS A 13 -15.020 -1.709 -12.368 1.00 0.00 N ATOM 0 H LYS A 13 -14.726 -4.000 -5.956 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.133 -2.409 -7.828 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.618 -4.307 -8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.016 -3.443 -7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.735 -1.650 -9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.131 -2.201 -10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.000 -4.196 -11.076 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.587 -3.978 -10.364 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.433 -3.240 -12.798 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -17.023 -1.997 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.186 -1.351 -13.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.955 -0.908 -11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.131 -2.248 -12.347 1.00 0.00 H new ATOM 215 N ASP A 14 -15.693 -1.057 -6.264 1.00 0.00 N ATOM 216 CA ASP A 14 -16.325 0.274 -6.004 1.00 0.00 C ATOM 217 C ASP A 14 -15.492 1.114 -5.023 1.00 0.00 C ATOM 218 O ASP A 14 -15.170 2.255 -5.286 1.00 0.00 O ATOM 219 CB ASP A 14 -17.722 0.058 -5.416 1.00 0.00 C ATOM 220 CG ASP A 14 -18.532 -0.849 -6.344 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.301 -0.797 -7.541 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.369 -1.581 -5.843 1.00 0.00 O ATOM 0 H ASP A 14 -16.074 -1.833 -5.724 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.383 0.813 -6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -17.646 -0.392 -4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.228 1.015 -5.293 1.00 0.00 H new ATOM 227 N HIS A 15 -15.182 0.569 -3.880 1.00 0.00 N ATOM 228 CA HIS A 15 -14.416 1.330 -2.846 1.00 0.00 C ATOM 229 C HIS A 15 -13.098 1.896 -3.399 1.00 0.00 C ATOM 230 O HIS A 15 -12.688 2.981 -3.037 1.00 0.00 O ATOM 231 CB HIS A 15 -14.127 0.404 -1.655 1.00 0.00 C ATOM 232 CG HIS A 15 -12.813 -0.310 -1.848 1.00 0.00 C ATOM 233 ND1 HIS A 15 -12.292 -1.019 -2.904 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.844 -0.347 -0.853 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -11.025 -1.485 -2.569 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.801 -1.053 -1.328 1.00 0.00 N flip ATOM 0 H HIS A 15 -15.429 -0.384 -3.612 1.00 0.00 H new ATOM 0 HA HIS A 15 -15.024 2.178 -2.531 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -14.100 0.985 -0.733 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.931 -0.324 -1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.915 0.108 0.124 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.362 -2.074 -3.185 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.945 -1.235 -0.803 1.00 0.00 H new ATOM 245 N LEU A 16 -12.409 1.164 -4.227 1.00 0.00 N ATOM 246 CA LEU A 16 -11.098 1.657 -4.749 1.00 0.00 C ATOM 247 C LEU A 16 -11.135 3.164 -5.062 1.00 0.00 C ATOM 248 O LEU A 16 -10.158 3.858 -4.865 1.00 0.00 O ATOM 249 CB LEU A 16 -10.677 0.869 -6.001 1.00 0.00 C ATOM 250 CG LEU A 16 -11.892 0.478 -6.849 1.00 0.00 C ATOM 251 CD1 LEU A 16 -12.559 1.728 -7.435 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.423 -0.426 -7.992 1.00 0.00 C ATOM 0 H LEU A 16 -12.694 0.245 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.360 1.496 -3.963 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.992 1.471 -6.599 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.135 -0.029 -5.703 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.615 -0.044 -6.223 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.420 1.434 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.887 2.379 -6.625 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.845 2.261 -8.063 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.278 -0.712 -8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.700 0.110 -8.607 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.956 -1.321 -7.580 1.00 0.00 H new ATOM 264 N LEU A 17 -12.220 3.683 -5.569 1.00 0.00 N ATOM 265 CA LEU A 17 -12.244 5.141 -5.905 1.00 0.00 C ATOM 266 C LEU A 17 -12.233 5.995 -4.626 1.00 0.00 C ATOM 267 O LEU A 17 -11.292 6.717 -4.379 1.00 0.00 O ATOM 268 CB LEU A 17 -13.490 5.471 -6.749 1.00 0.00 C ATOM 269 CG LEU A 17 -13.077 5.910 -8.163 1.00 0.00 C ATOM 270 CD1 LEU A 17 -12.543 4.712 -8.950 1.00 0.00 C ATOM 271 CD2 LEU A 17 -14.296 6.489 -8.885 1.00 0.00 C ATOM 0 H LEU A 17 -13.081 3.172 -5.764 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.350 5.374 -6.484 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.140 4.598 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.064 6.263 -6.268 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.294 6.665 -8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.253 5.034 -9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.676 4.297 -8.437 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.319 3.950 -9.025 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.009 6.802 -9.889 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -15.075 5.729 -8.950 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.673 7.348 -8.331 1.00 0.00 H new ATOM 283 N PRO A 18 -13.273 5.938 -3.830 1.00 0.00 N ATOM 284 CA PRO A 18 -13.374 6.754 -2.575 1.00 0.00 C ATOM 285 C PRO A 18 -12.328 6.389 -1.510 1.00 0.00 C ATOM 286 O PRO A 18 -11.740 7.253 -0.893 1.00 0.00 O ATOM 287 CB PRO A 18 -14.785 6.447 -2.055 1.00 0.00 C ATOM 288 CG PRO A 18 -15.132 5.123 -2.645 1.00 0.00 C ATOM 289 CD PRO A 18 -14.468 5.095 -4.017 1.00 0.00 C ATOM 0 HA PRO A 18 -13.190 7.808 -2.785 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.806 6.412 -0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.495 7.215 -2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.770 4.308 -2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.212 5.004 -2.730 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.203 4.081 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.125 5.493 -4.790 1.00 0.00 H new ATOM 297 N LYS A 19 -12.112 5.126 -1.266 1.00 0.00 N ATOM 298 CA LYS A 19 -11.127 4.729 -0.213 1.00 0.00 C ATOM 299 C LYS A 19 -9.837 5.552 -0.345 1.00 0.00 C ATOM 300 O LYS A 19 -9.594 6.464 0.420 1.00 0.00 O ATOM 301 CB LYS A 19 -10.806 3.230 -0.340 1.00 0.00 C ATOM 302 CG LYS A 19 -11.153 2.501 0.966 1.00 0.00 C ATOM 303 CD LYS A 19 -10.134 2.870 2.049 1.00 0.00 C ATOM 304 CE LYS A 19 -10.308 1.940 3.251 1.00 0.00 C ATOM 305 NZ LYS A 19 -9.388 2.363 4.344 1.00 0.00 N ATOM 0 H LYS A 19 -12.571 4.352 -1.746 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.565 4.923 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.370 2.799 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.749 3.095 -0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -12.157 2.773 1.290 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.152 1.423 0.804 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.121 2.786 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.272 3.907 2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.341 1.968 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.097 0.911 2.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.506 1.731 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.405 2.315 4.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.610 3.339 4.626 1.00 0.00 H new ATOM 319 N GLN A 20 -8.998 5.224 -1.291 1.00 0.00 N ATOM 320 CA GLN A 20 -7.715 5.974 -1.446 1.00 0.00 C ATOM 321 C GLN A 20 -7.987 7.466 -1.674 1.00 0.00 C ATOM 322 O GLN A 20 -7.382 8.309 -1.050 1.00 0.00 O ATOM 323 CB GLN A 20 -6.923 5.404 -2.631 1.00 0.00 C ATOM 324 CG GLN A 20 -7.881 4.786 -3.652 1.00 0.00 C ATOM 325 CD GLN A 20 -8.228 3.356 -3.231 1.00 0.00 C ATOM 326 OE1 GLN A 20 -9.321 3.098 -2.773 1.00 0.00 O ATOM 327 NE2 GLN A 20 -7.337 2.413 -3.367 1.00 0.00 N ATOM 0 H GLN A 20 -9.144 4.471 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.133 5.862 -0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -6.337 6.194 -3.101 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.218 4.651 -2.279 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.789 5.385 -3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.422 4.784 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.418 2.631 -3.752 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.559 1.457 -3.088 1.00 0.00 H new ATOM 336 N ILE A 21 -8.874 7.805 -2.567 1.00 0.00 N ATOM 337 CA ILE A 21 -9.148 9.249 -2.822 1.00 0.00 C ATOM 338 C ILE A 21 -9.344 9.992 -1.495 1.00 0.00 C ATOM 339 O ILE A 21 -8.932 11.120 -1.353 1.00 0.00 O ATOM 340 CB ILE A 21 -10.399 9.402 -3.699 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.046 9.099 -5.166 1.00 0.00 C ATOM 342 CG2 ILE A 21 -10.944 10.832 -3.590 1.00 0.00 C ATOM 343 CD1 ILE A 21 -8.982 10.083 -5.685 1.00 0.00 C ATOM 0 H ILE A 21 -9.419 7.151 -3.129 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.295 9.681 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.159 8.701 -3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.676 8.077 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.942 9.167 -5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.831 10.932 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.205 11.044 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.183 11.538 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.747 9.851 -6.724 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.365 11.101 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.079 9.995 -5.081 1.00 0.00 H new ATOM 355 N LYS A 22 -9.980 9.389 -0.531 1.00 0.00 N ATOM 356 CA LYS A 22 -10.197 10.100 0.765 1.00 0.00 C ATOM 357 C LYS A 22 -8.857 10.306 1.482 1.00 0.00 C ATOM 358 O LYS A 22 -8.270 11.373 1.426 1.00 0.00 O ATOM 359 CB LYS A 22 -11.132 9.272 1.653 1.00 0.00 C ATOM 360 CG LYS A 22 -12.577 9.454 1.183 1.00 0.00 C ATOM 361 CD LYS A 22 -13.508 8.610 2.056 1.00 0.00 C ATOM 362 CE LYS A 22 -14.956 9.057 1.840 1.00 0.00 C ATOM 363 NZ LYS A 22 -15.368 8.742 0.442 1.00 0.00 N ATOM 0 H LYS A 22 -10.357 8.443 -0.580 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.648 11.072 0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.854 8.219 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.035 9.584 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.860 10.505 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.671 9.156 0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.401 7.555 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.236 8.718 3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.614 8.552 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.050 10.127 2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.667 9.615 -0.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.566 8.323 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.159 8.067 0.457 1.00 0.00 H new ATOM 377 N GLU A 23 -8.369 9.295 2.155 1.00 0.00 N ATOM 378 CA GLU A 23 -7.067 9.430 2.875 1.00 0.00 C ATOM 379 C GLU A 23 -6.087 10.204 1.995 1.00 0.00 C ATOM 380 O GLU A 23 -5.325 11.028 2.462 1.00 0.00 O ATOM 381 CB GLU A 23 -6.502 8.039 3.173 1.00 0.00 C ATOM 382 CG GLU A 23 -5.236 8.173 4.022 1.00 0.00 C ATOM 383 CD GLU A 23 -4.813 6.794 4.531 1.00 0.00 C ATOM 384 OE1 GLU A 23 -4.734 5.885 3.722 1.00 0.00 O ATOM 385 OE2 GLU A 23 -4.574 6.672 5.722 1.00 0.00 O ATOM 0 H GLU A 23 -8.816 8.382 2.237 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.218 9.965 3.813 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.244 7.439 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.275 7.520 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.434 8.615 3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.419 8.842 4.863 1.00 0.00 H new ATOM 392 N HIS A 24 -6.116 9.949 0.719 1.00 0.00 N ATOM 393 CA HIS A 24 -5.207 10.666 -0.214 1.00 0.00 C ATOM 394 C HIS A 24 -5.805 12.042 -0.511 1.00 0.00 C ATOM 395 O HIS A 24 -5.105 13.027 -0.615 1.00 0.00 O ATOM 396 CB HIS A 24 -5.077 9.872 -1.518 1.00 0.00 C ATOM 397 CG HIS A 24 -4.751 8.431 -1.217 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.102 7.817 -0.021 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.110 7.467 -1.957 1.00 0.00 C ATOM 400 CE1 HIS A 24 -4.675 6.539 -0.080 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.065 6.281 -1.235 1.00 0.00 N ATOM 0 H HIS A 24 -6.736 9.269 0.279 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.220 10.774 0.235 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.007 9.932 -2.084 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.296 10.307 -2.141 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.704 7.609 -2.947 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.811 5.816 0.710 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.651 5.396 -1.529 1.00 0.00 H new ATOM 410 N GLY A 25 -7.101 12.102 -0.650 1.00 0.00 N ATOM 411 CA GLY A 25 -7.789 13.397 -0.940 1.00 0.00 C ATOM 412 C GLY A 25 -7.151 14.523 -0.132 1.00 0.00 C ATOM 413 O GLY A 25 -7.019 15.634 -0.605 1.00 0.00 O ATOM 0 H GLY A 25 -7.723 11.298 -0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.724 13.621 -2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.848 13.318 -0.695 1.00 0.00 H new ATOM 417 N LEU A 26 -6.767 14.251 1.089 1.00 0.00 N ATOM 418 CA LEU A 26 -6.148 15.318 1.933 1.00 0.00 C ATOM 419 C LEU A 26 -5.249 16.200 1.054 1.00 0.00 C ATOM 420 O LEU A 26 -5.223 17.407 1.190 1.00 0.00 O ATOM 421 CB LEU A 26 -5.312 14.667 3.043 1.00 0.00 C ATOM 422 CG LEU A 26 -5.376 15.521 4.313 1.00 0.00 C ATOM 423 CD1 LEU A 26 -4.549 14.858 5.416 1.00 0.00 C ATOM 424 CD2 LEU A 26 -4.813 16.915 4.021 1.00 0.00 C ATOM 0 H LEU A 26 -6.855 13.339 1.537 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.928 15.932 2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.685 13.664 3.250 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.277 14.562 2.717 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.412 15.609 4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.594 15.466 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.950 13.866 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.513 14.769 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.859 17.523 4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.777 16.828 3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.402 17.388 3.236 1.00 0.00 H new ATOM 436 N LYS A 27 -4.533 15.604 0.140 1.00 0.00 N ATOM 437 CA LYS A 27 -3.656 16.396 -0.770 1.00 0.00 C ATOM 438 C LYS A 27 -4.374 16.555 -2.115 1.00 0.00 C ATOM 439 O LYS A 27 -5.346 15.881 -2.390 1.00 0.00 O ATOM 440 CB LYS A 27 -2.326 15.655 -0.975 1.00 0.00 C ATOM 441 CG LYS A 27 -1.263 16.220 -0.028 1.00 0.00 C ATOM 442 CD LYS A 27 0.073 15.515 -0.278 1.00 0.00 C ATOM 443 CE LYS A 27 1.214 16.352 0.304 1.00 0.00 C ATOM 444 NZ LYS A 27 2.520 15.731 -0.056 1.00 0.00 N ATOM 0 H LYS A 27 -4.518 14.596 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.451 17.376 -0.338 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.461 14.589 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.997 15.760 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.155 17.293 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.572 16.079 1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.065 14.526 0.180 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.224 15.370 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.165 17.371 -0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.116 16.416 1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.296 16.300 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.565 14.767 0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.612 15.692 -1.091 1.00 0.00 H new ATOM 458 N LYS A 28 -3.909 17.440 -2.954 1.00 0.00 N ATOM 459 CA LYS A 28 -4.579 17.629 -4.274 1.00 0.00 C ATOM 460 C LYS A 28 -4.805 16.266 -4.932 1.00 0.00 C ATOM 461 O LYS A 28 -4.135 15.301 -4.623 1.00 0.00 O ATOM 462 CB LYS A 28 -3.694 18.491 -5.181 1.00 0.00 C ATOM 463 CG LYS A 28 -2.270 17.907 -5.233 1.00 0.00 C ATOM 464 CD LYS A 28 -1.305 18.796 -4.438 1.00 0.00 C ATOM 465 CE LYS A 28 -0.898 20.004 -5.287 1.00 0.00 C ATOM 466 NZ LYS A 28 -0.111 19.541 -6.464 1.00 0.00 N ATOM 0 H LYS A 28 -3.100 18.037 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.538 18.125 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.117 18.531 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.663 19.514 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.268 16.897 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.937 17.831 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.780 19.131 -3.516 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.421 18.226 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.785 20.544 -5.619 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.306 20.698 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.567 20.280 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.405 18.673 -6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.755 19.347 -7.257 1.00 0.00 H new ATOM 480 N SER A 29 -5.743 16.179 -5.839 1.00 0.00 N ATOM 481 CA SER A 29 -6.010 14.879 -6.519 1.00 0.00 C ATOM 482 C SER A 29 -4.680 14.234 -6.915 1.00 0.00 C ATOM 483 O SER A 29 -4.123 14.527 -7.954 1.00 0.00 O ATOM 484 CB SER A 29 -6.852 15.123 -7.773 1.00 0.00 C ATOM 485 OG SER A 29 -8.012 15.866 -7.421 1.00 0.00 O ATOM 0 H SER A 29 -6.336 16.954 -6.138 1.00 0.00 H new ATOM 0 HA SER A 29 -6.551 14.217 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.269 15.667 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.137 14.173 -8.224 1.00 0.00 H new ATOM 0 HG SER A 29 -8.554 16.026 -8.222 1.00 0.00 H new ATOM 491 N ASN A 30 -4.164 13.369 -6.083 1.00 0.00 N ATOM 492 CA ASN A 30 -2.860 12.710 -6.391 1.00 0.00 C ATOM 493 C ASN A 30 -3.072 11.223 -6.670 1.00 0.00 C ATOM 494 O ASN A 30 -2.396 10.378 -6.117 1.00 0.00 O ATOM 495 CB ASN A 30 -1.922 12.877 -5.192 1.00 0.00 C ATOM 496 CG ASN A 30 -0.474 12.640 -5.630 1.00 0.00 C ATOM 497 OD1 ASN A 30 -0.229 12.255 -6.852 1.00 0.00 O flip ATOM 498 ND2 ASN A 30 0.443 12.807 -4.851 1.00 0.00 N flip ATOM 0 H ASN A 30 -4.591 13.089 -5.200 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.422 13.174 -7.275 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -2.026 13.878 -4.774 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.194 12.173 -4.405 1.00 0.00 H new ATOM 0 HD21 ASN A 30 0.252 13.108 -3.895 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.404 12.646 -5.153 1.00 0.00 H new ATOM 505 N LEU A 31 -3.997 10.889 -7.528 1.00 0.00 N ATOM 506 CA LEU A 31 -4.230 9.450 -7.835 1.00 0.00 C ATOM 507 C LEU A 31 -4.981 9.308 -9.159 1.00 0.00 C ATOM 508 O LEU A 31 -6.028 9.891 -9.359 1.00 0.00 O ATOM 509 CB LEU A 31 -5.055 8.811 -6.717 1.00 0.00 C ATOM 510 CG LEU A 31 -5.093 7.287 -6.911 1.00 0.00 C ATOM 511 CD1 LEU A 31 -3.910 6.643 -6.184 1.00 0.00 C ATOM 512 CD2 LEU A 31 -6.401 6.729 -6.341 1.00 0.00 C ATOM 0 H LEU A 31 -4.598 11.546 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.266 8.948 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.621 9.054 -5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.068 9.214 -6.723 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.032 7.061 -7.976 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.941 5.563 -6.324 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.977 7.035 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.968 6.872 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.426 5.648 -6.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.462 6.960 -5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.246 7.181 -6.860 1.00 0.00 H new ATOM 524 N GLN A 32 -4.462 8.513 -10.054 1.00 0.00 N ATOM 525 CA GLN A 32 -5.143 8.294 -11.362 1.00 0.00 C ATOM 526 C GLN A 32 -5.049 6.805 -11.701 1.00 0.00 C ATOM 527 O GLN A 32 -4.422 6.405 -12.662 1.00 0.00 O ATOM 528 CB GLN A 32 -4.463 9.138 -12.451 1.00 0.00 C ATOM 529 CG GLN A 32 -5.235 10.446 -12.651 1.00 0.00 C ATOM 530 CD GLN A 32 -4.632 11.221 -13.824 1.00 0.00 C ATOM 531 OE1 GLN A 32 -5.239 12.142 -14.336 1.00 0.00 O ATOM 532 NE2 GLN A 32 -3.455 10.886 -14.276 1.00 0.00 N ATOM 0 H GLN A 32 -3.588 8.001 -9.934 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.189 8.596 -11.304 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.433 9.353 -12.167 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.426 8.580 -13.387 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.287 10.234 -12.844 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.192 11.048 -11.743 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.945 10.114 -13.847 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.045 11.396 -15.058 1.00 0.00 H new ATOM 541 N LEU A 33 -5.666 5.980 -10.897 1.00 0.00 N ATOM 542 CA LEU A 33 -5.623 4.512 -11.131 1.00 0.00 C ATOM 543 C LEU A 33 -6.890 4.081 -11.870 1.00 0.00 C ATOM 544 O LEU A 33 -7.940 4.677 -11.726 1.00 0.00 O ATOM 545 CB LEU A 33 -5.544 3.798 -9.774 1.00 0.00 C ATOM 546 CG LEU A 33 -5.226 2.305 -9.969 1.00 0.00 C ATOM 547 CD1 LEU A 33 -4.305 1.824 -8.842 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.524 1.491 -9.928 1.00 0.00 C ATOM 0 H LEU A 33 -6.204 6.267 -10.079 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.752 4.253 -11.733 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.775 4.262 -9.156 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.489 3.908 -9.243 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.735 2.169 -10.933 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.081 0.766 -8.982 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.378 2.397 -8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.800 1.966 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.295 0.434 -10.066 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.012 1.633 -8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.189 1.826 -10.724 1.00 0.00 H new ATOM 560 N ARG A 34 -6.797 3.045 -12.658 1.00 0.00 N ATOM 561 CA ARG A 34 -7.990 2.558 -13.416 1.00 0.00 C ATOM 562 C ARG A 34 -8.371 1.159 -12.923 1.00 0.00 C ATOM 563 O ARG A 34 -7.575 0.460 -12.329 1.00 0.00 O ATOM 564 CB ARG A 34 -7.652 2.495 -14.907 1.00 0.00 C ATOM 565 CG ARG A 34 -7.432 3.913 -15.442 1.00 0.00 C ATOM 566 CD ARG A 34 -7.326 3.872 -16.967 1.00 0.00 C ATOM 567 NE ARG A 34 -6.940 5.219 -17.475 1.00 0.00 N ATOM 568 CZ ARG A 34 -7.798 6.201 -17.439 1.00 0.00 C ATOM 569 NH1 ARG A 34 -8.997 6.002 -16.962 1.00 0.00 N ATOM 570 NH2 ARG A 34 -7.459 7.381 -17.880 1.00 0.00 N ATOM 0 H ARG A 34 -5.942 2.510 -12.812 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.825 3.240 -13.258 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.756 1.893 -15.062 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.461 2.010 -15.454 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.257 4.559 -15.141 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.523 4.337 -15.015 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.586 3.131 -17.271 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.279 3.567 -17.400 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.004 5.373 -17.851 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.262 5.079 -16.618 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.668 6.769 -16.934 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.523 7.536 -18.253 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.130 8.148 -17.852 1.00 0.00 H new ATOM 584 N ASP A 35 -9.584 0.742 -13.165 1.00 0.00 N ATOM 585 CA ASP A 35 -10.013 -0.611 -12.709 1.00 0.00 C ATOM 586 C ASP A 35 -9.034 -1.663 -13.234 1.00 0.00 C ATOM 587 O ASP A 35 -8.689 -2.603 -12.545 1.00 0.00 O ATOM 588 CB ASP A 35 -11.415 -0.910 -13.247 1.00 0.00 C ATOM 589 CG ASP A 35 -12.429 0.014 -12.569 1.00 0.00 C ATOM 590 OD1 ASP A 35 -12.778 -0.257 -11.431 1.00 0.00 O ATOM 591 OD2 ASP A 35 -12.839 0.974 -13.199 1.00 0.00 O ATOM 0 H ASP A 35 -10.296 1.280 -13.659 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.026 -0.638 -11.619 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.440 -0.765 -14.327 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.674 -1.952 -13.059 1.00 0.00 H new ATOM 596 N GLN A 36 -8.589 -1.516 -14.451 1.00 0.00 N ATOM 597 CA GLN A 36 -7.635 -2.508 -15.025 1.00 0.00 C ATOM 598 C GLN A 36 -6.426 -2.659 -14.097 1.00 0.00 C ATOM 599 O GLN A 36 -5.946 -3.751 -13.855 1.00 0.00 O ATOM 600 CB GLN A 36 -7.165 -2.023 -16.398 1.00 0.00 C ATOM 601 CG GLN A 36 -6.335 -3.117 -17.073 1.00 0.00 C ATOM 602 CD GLN A 36 -6.034 -2.712 -18.517 1.00 0.00 C ATOM 603 OE1 GLN A 36 -5.896 -1.543 -18.816 1.00 0.00 O ATOM 604 NE2 GLN A 36 -5.927 -3.636 -19.433 1.00 0.00 N ATOM 0 H GLN A 36 -8.845 -0.750 -15.075 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.133 -3.472 -15.127 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.024 -1.769 -17.019 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.570 -1.116 -16.290 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.405 -3.272 -16.526 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.877 -4.063 -17.055 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -6.043 -4.618 -19.183 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.728 -3.376 -20.399 1.00 0.00 H new ATOM 613 N ALA A 37 -5.924 -1.571 -13.581 1.00 0.00 N ATOM 614 CA ALA A 37 -4.742 -1.647 -12.678 1.00 0.00 C ATOM 615 C ALA A 37 -5.035 -2.604 -11.516 1.00 0.00 C ATOM 616 O ALA A 37 -4.514 -3.701 -11.457 1.00 0.00 O ATOM 617 CB ALA A 37 -4.428 -0.247 -12.133 1.00 0.00 C ATOM 0 H ALA A 37 -6.283 -0.631 -13.746 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.883 -2.020 -13.236 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.563 -0.300 -11.472 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.210 0.426 -12.962 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.287 0.128 -11.577 1.00 0.00 H new ATOM 623 N ILE A 38 -5.858 -2.198 -10.587 1.00 0.00 N ATOM 624 CA ILE A 38 -6.173 -3.084 -9.430 1.00 0.00 C ATOM 625 C ILE A 38 -6.514 -4.490 -9.936 1.00 0.00 C ATOM 626 O ILE A 38 -6.089 -5.480 -9.376 1.00 0.00 O ATOM 627 CB ILE A 38 -7.366 -2.508 -8.653 1.00 0.00 C ATOM 628 CG1 ILE A 38 -6.872 -1.406 -7.709 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.040 -3.614 -7.831 1.00 0.00 C ATOM 630 CD1 ILE A 38 -8.068 -0.663 -7.111 1.00 0.00 C ATOM 0 H ILE A 38 -6.326 -1.291 -10.579 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.307 -3.141 -8.770 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.087 -2.096 -9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.267 -1.840 -6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.233 -0.709 -8.251 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.885 -3.197 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.393 -4.400 -8.499 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.322 -4.033 -7.126 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.712 0.119 -6.441 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.656 -0.215 -7.912 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -8.690 -1.363 -6.553 1.00 0.00 H new ATOM 642 N LEU A 39 -7.279 -4.587 -10.986 1.00 0.00 N ATOM 643 CA LEU A 39 -7.643 -5.932 -11.514 1.00 0.00 C ATOM 644 C LEU A 39 -6.384 -6.794 -11.623 1.00 0.00 C ATOM 645 O LEU A 39 -6.355 -7.925 -11.181 1.00 0.00 O ATOM 646 CB LEU A 39 -8.292 -5.782 -12.898 1.00 0.00 C ATOM 647 CG LEU A 39 -9.821 -5.733 -12.758 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.425 -5.007 -13.962 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.378 -7.159 -12.696 1.00 0.00 C ATOM 0 H LEU A 39 -7.667 -3.797 -11.501 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.350 -6.411 -10.836 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.933 -4.873 -13.380 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.003 -6.617 -13.537 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.080 -5.200 -11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.510 -4.974 -13.860 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.033 -3.991 -14.008 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.163 -5.539 -14.877 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.463 -7.122 -12.597 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.115 -7.692 -13.610 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.953 -7.679 -11.837 1.00 0.00 H new ATOM 661 N ASP A 40 -5.345 -6.269 -12.207 1.00 0.00 N ATOM 662 CA ASP A 40 -4.088 -7.062 -12.346 1.00 0.00 C ATOM 663 C ASP A 40 -3.439 -7.256 -10.972 1.00 0.00 C ATOM 664 O ASP A 40 -2.919 -8.311 -10.669 1.00 0.00 O ATOM 665 CB ASP A 40 -3.119 -6.338 -13.284 1.00 0.00 C ATOM 666 CG ASP A 40 -2.566 -5.087 -12.598 1.00 0.00 C ATOM 667 OD1 ASP A 40 -1.915 -5.232 -11.578 1.00 0.00 O ATOM 668 OD2 ASP A 40 -2.800 -4.006 -13.109 1.00 0.00 O ATOM 0 H ASP A 40 -5.309 -5.326 -12.595 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.327 -8.039 -12.766 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.301 -7.003 -13.560 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.630 -6.062 -14.206 1.00 0.00 H new ATOM 673 N ILE A 41 -3.458 -6.252 -10.135 1.00 0.00 N ATOM 674 CA ILE A 41 -2.834 -6.402 -8.787 1.00 0.00 C ATOM 675 C ILE A 41 -3.300 -7.722 -8.166 1.00 0.00 C ATOM 676 O ILE A 41 -2.568 -8.690 -8.120 1.00 0.00 O ATOM 677 CB ILE A 41 -3.252 -5.230 -7.889 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.524 -3.950 -8.333 1.00 0.00 C ATOM 679 CG2 ILE A 41 -2.907 -5.544 -6.429 1.00 0.00 C ATOM 680 CD1 ILE A 41 -1.144 -3.868 -7.670 1.00 0.00 C ATOM 0 H ILE A 41 -3.875 -5.341 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.748 -6.404 -8.883 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.328 -5.079 -7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.415 -3.942 -9.418 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.116 -3.075 -8.066 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.206 -4.708 -5.797 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.436 -6.444 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.833 -5.704 -6.335 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.639 -2.958 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.261 -3.854 -6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.549 -4.735 -7.959 1.00 0.00 H new ATOM 692 N ILE A 42 -4.515 -7.769 -7.696 1.00 0.00 N ATOM 693 CA ILE A 42 -5.031 -9.026 -7.083 1.00 0.00 C ATOM 694 C ILE A 42 -4.735 -10.207 -8.010 1.00 0.00 C ATOM 695 O ILE A 42 -4.386 -11.283 -7.567 1.00 0.00 O ATOM 696 CB ILE A 42 -6.542 -8.908 -6.874 1.00 0.00 C ATOM 697 CG1 ILE A 42 -7.072 -10.202 -6.250 1.00 0.00 C ATOM 698 CG2 ILE A 42 -7.228 -8.676 -8.221 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.532 -10.010 -5.838 1.00 0.00 C ATOM 0 H ILE A 42 -5.174 -6.991 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.542 -9.188 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.752 -8.069 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.989 -11.022 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.471 -10.472 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.304 -8.592 -8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.851 -7.756 -8.668 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.018 -9.514 -8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.909 -10.931 -5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.601 -9.201 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.128 -9.760 -6.716 1.00 0.00 H new ATOM 711 N ARG A 43 -4.878 -10.021 -9.292 1.00 0.00 N ATOM 712 CA ARG A 43 -4.612 -11.143 -10.241 1.00 0.00 C ATOM 713 C ARG A 43 -3.262 -11.788 -9.916 1.00 0.00 C ATOM 714 O ARG A 43 -3.119 -12.994 -9.950 1.00 0.00 O ATOM 715 CB ARG A 43 -4.589 -10.614 -11.677 1.00 0.00 C ATOM 716 CG ARG A 43 -4.747 -11.782 -12.655 1.00 0.00 C ATOM 717 CD ARG A 43 -4.431 -11.307 -14.074 1.00 0.00 C ATOM 718 NE ARG A 43 -4.752 -12.392 -15.043 1.00 0.00 N ATOM 719 CZ ARG A 43 -4.202 -12.394 -16.228 1.00 0.00 C ATOM 720 NH1 ARG A 43 -3.369 -11.445 -16.561 1.00 0.00 N ATOM 721 NH2 ARG A 43 -4.481 -13.344 -17.077 1.00 0.00 N ATOM 0 H ARG A 43 -5.167 -9.144 -9.725 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.403 -11.887 -10.141 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.393 -9.893 -11.823 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.652 -10.090 -11.868 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.079 -12.597 -12.376 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.763 -12.173 -12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.010 -10.413 -14.307 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.378 -11.035 -14.152 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.401 -13.134 -14.781 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.149 -10.703 -15.896 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.939 -11.445 -17.486 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.129 -14.087 -16.816 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.051 -13.344 -18.002 1.00 0.00 H new ATOM 735 N TYR A 44 -2.265 -11.002 -9.606 1.00 0.00 N ATOM 736 CA TYR A 44 -0.933 -11.589 -9.288 1.00 0.00 C ATOM 737 C TYR A 44 -0.931 -12.091 -7.844 1.00 0.00 C ATOM 738 O TYR A 44 -0.465 -13.176 -7.554 1.00 0.00 O ATOM 739 CB TYR A 44 0.155 -10.527 -9.461 1.00 0.00 C ATOM 740 CG TYR A 44 0.027 -9.881 -10.823 1.00 0.00 C ATOM 741 CD1 TYR A 44 0.066 -10.668 -11.981 1.00 0.00 C ATOM 742 CD2 TYR A 44 -0.125 -8.491 -10.929 1.00 0.00 C ATOM 743 CE1 TYR A 44 -0.047 -10.068 -13.242 1.00 0.00 C ATOM 744 CE2 TYR A 44 -0.238 -7.893 -12.189 1.00 0.00 C ATOM 745 CZ TYR A 44 -0.199 -8.681 -13.345 1.00 0.00 C ATOM 746 OH TYR A 44 -0.310 -8.089 -14.587 1.00 0.00 O ATOM 0 H TYR A 44 -2.316 -9.984 -9.560 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.734 -12.420 -9.964 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.066 -9.772 -8.680 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.140 -10.981 -9.355 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.183 -11.739 -11.902 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.155 -7.882 -10.038 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.017 -10.676 -14.134 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.355 -6.822 -12.270 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.731 -8.716 -15.212 1.00 0.00 H new ATOM 756 N TYR A 45 -1.448 -11.311 -6.937 1.00 0.00 N ATOM 757 CA TYR A 45 -1.475 -11.743 -5.513 1.00 0.00 C ATOM 758 C TYR A 45 -2.531 -12.833 -5.331 1.00 0.00 C ATOM 759 O TYR A 45 -2.234 -13.940 -4.929 1.00 0.00 O ATOM 760 CB TYR A 45 -1.827 -10.550 -4.626 1.00 0.00 C ATOM 761 CG TYR A 45 -0.682 -9.570 -4.627 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.432 -9.797 -3.812 1.00 0.00 C ATOM 763 CD2 TYR A 45 -0.735 -8.432 -5.440 1.00 0.00 C ATOM 764 CE1 TYR A 45 1.494 -8.889 -3.812 1.00 0.00 C ATOM 765 CE2 TYR A 45 0.328 -7.522 -5.440 1.00 0.00 C ATOM 766 CZ TYR A 45 1.442 -7.751 -4.624 1.00 0.00 C ATOM 767 OH TYR A 45 2.490 -6.855 -4.619 1.00 0.00 O ATOM 0 H TYR A 45 -1.853 -10.393 -7.120 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.495 -12.131 -5.234 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.734 -10.067 -4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.031 -10.886 -3.610 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.471 -10.674 -3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.596 -8.256 -6.067 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.355 -9.066 -3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.289 -6.645 -6.068 1.00 0.00 H new ATOM 0 HH TYR A 45 3.325 -7.329 -4.422 1.00 0.00 H new ATOM 777 N THR A 46 -3.764 -12.525 -5.622 1.00 0.00 N ATOM 778 CA THR A 46 -4.842 -13.537 -5.465 1.00 0.00 C ATOM 779 C THR A 46 -4.931 -13.951 -3.995 1.00 0.00 C ATOM 780 O THR A 46 -5.733 -14.785 -3.622 1.00 0.00 O ATOM 781 CB THR A 46 -4.523 -14.759 -6.336 1.00 0.00 C ATOM 782 OG1 THR A 46 -3.642 -14.374 -7.382 1.00 0.00 O ATOM 783 CG2 THR A 46 -5.815 -15.314 -6.938 1.00 0.00 C ATOM 0 H THR A 46 -4.071 -11.614 -5.962 1.00 0.00 H new ATOM 0 HA THR A 46 -5.797 -13.115 -5.779 1.00 0.00 H new ATOM 0 HB THR A 46 -4.051 -15.527 -5.723 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.141 -13.878 -8.064 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.585 -16.182 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.493 -15.609 -6.137 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.289 -14.548 -7.551 1.00 0.00 H new ATOM 791 N ARG A 47 -4.117 -13.369 -3.155 1.00 0.00 N ATOM 792 CA ARG A 47 -4.161 -13.726 -1.710 1.00 0.00 C ATOM 793 C ARG A 47 -5.391 -13.081 -1.070 1.00 0.00 C ATOM 794 O ARG A 47 -5.618 -11.893 -1.196 1.00 0.00 O ATOM 795 CB ARG A 47 -2.886 -13.227 -1.015 1.00 0.00 C ATOM 796 CG ARG A 47 -2.783 -11.694 -1.128 1.00 0.00 C ATOM 797 CD ARG A 47 -3.152 -11.049 0.212 1.00 0.00 C ATOM 798 NE ARG A 47 -2.193 -11.500 1.260 1.00 0.00 N ATOM 799 CZ ARG A 47 -0.972 -11.042 1.267 1.00 0.00 C ATOM 800 NH1 ARG A 47 -0.590 -10.187 0.359 1.00 0.00 N ATOM 801 NH2 ARG A 47 -0.133 -11.440 2.185 1.00 0.00 N ATOM 0 H ARG A 47 -3.425 -12.663 -3.408 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.222 -14.809 -1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.896 -13.522 0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.010 -13.692 -1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.770 -11.408 -1.413 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.449 -11.332 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.127 -9.963 0.124 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.169 -11.323 0.492 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.492 -12.167 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.246 -9.876 -0.357 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.365 -9.829 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.433 -12.108 2.895 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.822 -11.083 2.192 1.00 0.00 H new ATOM 815 N GLU A 48 -6.195 -13.855 -0.392 1.00 0.00 N ATOM 816 CA GLU A 48 -7.417 -13.289 0.248 1.00 0.00 C ATOM 817 C GLU A 48 -7.126 -12.973 1.717 1.00 0.00 C ATOM 818 O GLU A 48 -6.736 -11.874 2.058 1.00 0.00 O ATOM 819 CB GLU A 48 -8.555 -14.309 0.163 1.00 0.00 C ATOM 820 CG GLU A 48 -9.814 -13.723 0.805 1.00 0.00 C ATOM 821 CD GLU A 48 -11.030 -14.561 0.405 1.00 0.00 C ATOM 822 OE1 GLU A 48 -11.127 -15.687 0.867 1.00 0.00 O ATOM 823 OE2 GLU A 48 -11.844 -14.064 -0.354 1.00 0.00 O ATOM 0 H GLU A 48 -6.058 -14.856 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.707 -12.375 -0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.751 -14.566 -0.878 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.270 -15.231 0.671 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.709 -13.710 1.890 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.950 -12.690 0.486 1.00 0.00 H new ATOM 830 N ALA A 49 -7.315 -13.925 2.588 1.00 0.00 N ATOM 831 CA ALA A 49 -7.050 -13.673 4.032 1.00 0.00 C ATOM 832 C ALA A 49 -7.860 -12.459 4.491 1.00 0.00 C ATOM 833 O ALA A 49 -7.361 -11.591 5.179 1.00 0.00 O ATOM 834 CB ALA A 49 -5.560 -13.400 4.239 1.00 0.00 C ATOM 0 H ALA A 49 -7.641 -14.865 2.363 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.341 -14.548 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.367 -13.216 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -4.983 -14.264 3.910 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.266 -12.525 3.659 1.00 0.00 H new ATOM 840 N GLY A 50 -9.108 -12.393 4.114 1.00 0.00 N ATOM 841 CA GLY A 50 -9.951 -11.235 4.527 1.00 0.00 C ATOM 842 C GLY A 50 -9.688 -10.052 3.593 1.00 0.00 C ATOM 843 O GLY A 50 -8.562 -9.641 3.394 1.00 0.00 O ATOM 0 H GLY A 50 -9.580 -13.090 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -11.005 -11.510 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.725 -10.956 5.556 1.00 0.00 H new ATOM 847 N VAL A 51 -10.722 -9.503 3.017 1.00 0.00 N ATOM 848 CA VAL A 51 -10.541 -8.346 2.095 1.00 0.00 C ATOM 849 C VAL A 51 -9.781 -7.228 2.811 1.00 0.00 C ATOM 850 O VAL A 51 -8.954 -6.559 2.226 1.00 0.00 O ATOM 851 CB VAL A 51 -11.908 -7.826 1.648 1.00 0.00 C ATOM 852 CG1 VAL A 51 -12.565 -8.852 0.723 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.798 -7.601 2.873 1.00 0.00 C ATOM 0 H VAL A 51 -11.687 -9.807 3.146 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.972 -8.669 1.223 1.00 0.00 H new ATOM 0 HB VAL A 51 -11.780 -6.883 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -13.539 -8.483 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.933 -9.011 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.691 -9.794 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.772 -7.230 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.926 -8.542 3.408 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.331 -6.870 3.533 1.00 0.00 H new ATOM 863 N ARG A 52 -10.063 -7.016 4.069 1.00 0.00 N ATOM 864 CA ARG A 52 -9.366 -5.934 4.827 1.00 0.00 C ATOM 865 C ARG A 52 -7.890 -5.879 4.420 1.00 0.00 C ATOM 866 O ARG A 52 -7.339 -4.820 4.189 1.00 0.00 O ATOM 867 CB ARG A 52 -9.465 -6.224 6.328 1.00 0.00 C ATOM 868 CG ARG A 52 -9.089 -4.968 7.127 1.00 0.00 C ATOM 869 CD ARG A 52 -10.347 -4.145 7.422 1.00 0.00 C ATOM 870 NE ARG A 52 -11.087 -4.764 8.559 1.00 0.00 N ATOM 871 CZ ARG A 52 -11.902 -4.042 9.279 1.00 0.00 C ATOM 872 NH1 ARG A 52 -12.076 -2.778 9.002 1.00 0.00 N ATOM 873 NH2 ARG A 52 -12.546 -4.585 10.276 1.00 0.00 N ATOM 0 H ARG A 52 -10.748 -7.547 4.607 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.837 -4.977 4.602 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.478 -6.537 6.581 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.801 -7.047 6.593 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.602 -5.252 8.060 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.374 -4.368 6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.074 -3.118 7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.984 -4.104 6.538 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.956 -5.752 8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.575 -2.353 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.713 -2.215 9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -12.412 -5.573 10.492 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.183 -4.021 10.839 1.00 0.00 H new ATOM 887 N SER A 53 -7.246 -7.009 4.327 1.00 0.00 N ATOM 888 CA SER A 53 -5.809 -7.013 3.933 1.00 0.00 C ATOM 889 C SER A 53 -5.674 -6.526 2.492 1.00 0.00 C ATOM 890 O SER A 53 -4.965 -5.582 2.207 1.00 0.00 O ATOM 891 CB SER A 53 -5.253 -8.429 4.039 1.00 0.00 C ATOM 892 OG SER A 53 -5.365 -8.880 5.382 1.00 0.00 O ATOM 0 H SER A 53 -7.651 -7.928 4.506 1.00 0.00 H new ATOM 0 HA SER A 53 -5.252 -6.352 4.597 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.799 -9.097 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.210 -8.447 3.723 1.00 0.00 H new ATOM 0 HG SER A 53 -5.010 -9.791 5.452 1.00 0.00 H new ATOM 898 N LEU A 54 -6.351 -7.160 1.579 1.00 0.00 N ATOM 899 CA LEU A 54 -6.261 -6.726 0.158 1.00 0.00 C ATOM 900 C LEU A 54 -6.473 -5.212 0.097 1.00 0.00 C ATOM 901 O LEU A 54 -5.680 -4.482 -0.467 1.00 0.00 O ATOM 902 CB LEU A 54 -7.345 -7.445 -0.666 1.00 0.00 C ATOM 903 CG LEU A 54 -6.716 -8.128 -1.886 1.00 0.00 C ATOM 904 CD1 LEU A 54 -7.753 -9.032 -2.554 1.00 0.00 C ATOM 905 CD2 LEU A 54 -6.250 -7.067 -2.887 1.00 0.00 C ATOM 0 H LEU A 54 -6.962 -7.958 1.753 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.283 -6.976 -0.253 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.852 -8.185 -0.047 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.101 -6.729 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.862 -8.724 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.307 -9.518 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.086 -9.790 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.606 -8.433 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.803 -7.555 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.103 -6.469 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.511 -6.420 -2.414 1.00 0.00 H new ATOM 917 N GLU A 55 -7.532 -4.735 0.689 1.00 0.00 N ATOM 918 CA GLU A 55 -7.795 -3.272 0.685 1.00 0.00 C ATOM 919 C GLU A 55 -6.568 -2.537 1.224 1.00 0.00 C ATOM 920 O GLU A 55 -6.198 -1.488 0.732 1.00 0.00 O ATOM 921 CB GLU A 55 -9.003 -2.967 1.575 1.00 0.00 C ATOM 922 CG GLU A 55 -10.217 -3.753 1.077 1.00 0.00 C ATOM 923 CD GLU A 55 -11.386 -3.555 2.045 1.00 0.00 C ATOM 924 OE1 GLU A 55 -12.113 -2.590 1.876 1.00 0.00 O ATOM 925 OE2 GLU A 55 -11.531 -4.371 2.940 1.00 0.00 O ATOM 0 H GLU A 55 -8.228 -5.299 1.177 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.002 -2.941 -0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.783 -3.234 2.609 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.218 -1.898 1.561 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.497 -3.417 0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.971 -4.812 0.999 1.00 0.00 H new ATOM 932 N ARG A 56 -5.931 -3.073 2.231 1.00 0.00 N ATOM 933 CA ARG A 56 -4.731 -2.392 2.791 1.00 0.00 C ATOM 934 C ARG A 56 -3.636 -2.343 1.723 1.00 0.00 C ATOM 935 O ARG A 56 -2.930 -1.366 1.591 1.00 0.00 O ATOM 936 CB ARG A 56 -4.226 -3.155 4.022 1.00 0.00 C ATOM 937 CG ARG A 56 -2.911 -2.542 4.517 1.00 0.00 C ATOM 938 CD ARG A 56 -3.084 -1.037 4.741 1.00 0.00 C ATOM 939 NE ARG A 56 -4.434 -0.767 5.316 1.00 0.00 N ATOM 940 CZ ARG A 56 -4.648 0.326 5.998 1.00 0.00 C ATOM 941 NH1 ARG A 56 -3.683 1.186 6.175 1.00 0.00 N ATOM 942 NH2 ARG A 56 -5.830 0.559 6.502 1.00 0.00 N ATOM 0 H ARG A 56 -6.189 -3.948 2.687 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.994 -1.377 3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.974 -3.119 4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.076 -4.205 3.772 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -2.603 -3.023 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.120 -2.721 3.788 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.311 -0.668 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.966 -0.503 3.798 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.191 -1.437 5.176 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.760 1.005 5.780 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.852 2.039 6.708 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.585 -0.112 6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.998 1.412 7.035 1.00 0.00 H new ATOM 956 N GLN A 57 -3.490 -3.391 0.958 1.00 0.00 N ATOM 957 CA GLN A 57 -2.440 -3.396 -0.101 1.00 0.00 C ATOM 958 C GLN A 57 -2.727 -2.282 -1.110 1.00 0.00 C ATOM 959 O GLN A 57 -1.855 -1.512 -1.462 1.00 0.00 O ATOM 960 CB GLN A 57 -2.446 -4.748 -0.818 1.00 0.00 C ATOM 961 CG GLN A 57 -1.168 -4.895 -1.644 1.00 0.00 C ATOM 962 CD GLN A 57 -1.190 -6.233 -2.386 1.00 0.00 C ATOM 963 OE1 GLN A 57 -0.775 -7.242 -1.852 1.00 0.00 O ATOM 964 NE2 GLN A 57 -1.661 -6.284 -3.601 1.00 0.00 N ATOM 0 H GLN A 57 -4.050 -4.241 1.020 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.464 -3.230 0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.516 -5.557 -0.091 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.320 -4.824 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.086 -4.074 -2.356 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.294 -4.842 -0.994 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.009 -5.436 -4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.681 -7.171 -4.103 1.00 0.00 H new ATOM 973 N LEU A 58 -3.943 -2.185 -1.578 1.00 0.00 N ATOM 974 CA LEU A 58 -4.278 -1.116 -2.563 1.00 0.00 C ATOM 975 C LEU A 58 -4.112 0.251 -1.894 1.00 0.00 C ATOM 976 O LEU A 58 -3.497 1.147 -2.432 1.00 0.00 O ATOM 977 CB LEU A 58 -5.719 -1.291 -3.044 1.00 0.00 C ATOM 978 CG LEU A 58 -5.971 -2.769 -3.352 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.382 -2.944 -3.915 1.00 0.00 C ATOM 980 CD2 LEU A 58 -4.950 -3.260 -4.382 1.00 0.00 C ATOM 0 H LEU A 58 -4.717 -2.798 -1.322 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.610 -1.184 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.415 -0.943 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.894 -0.687 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.871 -3.349 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.559 -3.997 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.111 -2.598 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.483 -2.362 -4.831 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.131 -4.313 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.048 -2.677 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.943 -3.140 -3.982 1.00 0.00 H new ATOM 992 N ALA A 59 -4.638 0.414 -0.715 1.00 0.00 N ATOM 993 CA ALA A 59 -4.479 1.718 -0.014 1.00 0.00 C ATOM 994 C ALA A 59 -2.984 2.015 0.114 1.00 0.00 C ATOM 995 O ALA A 59 -2.548 3.144 -0.004 1.00 0.00 O ATOM 996 CB ALA A 59 -5.108 1.632 1.378 1.00 0.00 C ATOM 0 H ALA A 59 -5.169 -0.294 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.973 2.511 -0.576 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.991 2.587 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.169 1.398 1.284 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.613 0.849 1.953 1.00 0.00 H new ATOM 1002 N ALA A 60 -2.201 0.999 0.365 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.730 1.195 0.518 1.00 0.00 C ATOM 1004 C ALA A 60 -0.111 1.653 -0.806 1.00 0.00 C ATOM 1005 O ALA A 60 0.547 2.669 -0.867 1.00 0.00 O ATOM 1006 CB ALA A 60 -0.087 -0.126 0.945 1.00 0.00 C ATOM 0 H ALA A 60 -2.520 0.036 0.471 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.552 1.960 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.988 0.013 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.513 -0.448 1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.277 -0.885 0.186 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.300 0.912 -1.864 1.00 0.00 N ATOM 1013 CA ILE A 61 0.300 1.321 -3.168 1.00 0.00 C ATOM 1014 C ILE A 61 -0.250 2.694 -3.576 1.00 0.00 C ATOM 1015 O ILE A 61 0.471 3.546 -4.063 1.00 0.00 O ATOM 1016 CB ILE A 61 -0.035 0.270 -4.242 1.00 0.00 C ATOM 1017 CG1 ILE A 61 1.005 0.334 -5.366 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.428 0.529 -4.827 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.545 -0.531 -6.546 1.00 0.00 C ATOM 0 H ILE A 61 -0.840 0.047 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 61 1.383 1.389 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.021 -0.717 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.141 1.366 -5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.971 -0.016 -5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.650 -0.222 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.172 0.474 -4.033 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.454 1.520 -5.280 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.287 -0.483 -7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.432 -1.564 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.411 -0.161 -6.917 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.522 2.913 -3.381 1.00 0.00 N ATOM 1032 CA CYS A 62 -2.123 4.223 -3.758 1.00 0.00 C ATOM 1033 C CYS A 62 -1.393 5.363 -3.041 1.00 0.00 C ATOM 1034 O CYS A 62 -0.728 6.169 -3.660 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.601 4.235 -3.362 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.542 3.206 -4.516 1.00 0.00 S ATOM 0 H CYS A 62 -2.172 2.239 -2.976 1.00 0.00 H new ATOM 0 HA CYS A 62 -2.029 4.363 -4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.719 3.861 -2.345 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.983 5.256 -3.373 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.490 1.965 -4.132 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.516 5.445 -1.743 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.829 6.547 -1.010 1.00 0.00 C ATOM 1044 C ARG A 63 0.672 6.476 -1.270 1.00 0.00 C ATOM 1045 O ARG A 63 1.303 7.474 -1.555 1.00 0.00 O ATOM 1046 CB ARG A 63 -1.093 6.423 0.486 1.00 0.00 C ATOM 1047 CG ARG A 63 -0.474 5.128 1.020 1.00 0.00 C ATOM 1048 CD ARG A 63 -1.196 4.702 2.300 1.00 0.00 C ATOM 1049 NE ARG A 63 -1.213 5.838 3.264 1.00 0.00 N ATOM 1050 CZ ARG A 63 -1.975 5.783 4.323 1.00 0.00 C ATOM 1051 NH1 ARG A 63 -2.724 4.736 4.534 1.00 0.00 N ATOM 1052 NH2 ARG A 63 -1.987 6.776 5.169 1.00 0.00 N ATOM 0 H ARG A 63 -2.057 4.803 -1.163 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.215 7.503 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.672 7.281 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.166 6.429 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.549 4.341 0.269 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.587 5.276 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.215 4.392 2.069 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.694 3.842 2.744 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.630 6.658 3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.714 3.960 3.872 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.319 4.693 5.361 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.401 7.595 5.003 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.582 6.734 5.996 1.00 0.00 H new ATOM 1066 N LYS A 64 1.254 5.306 -1.189 1.00 0.00 N ATOM 1067 CA LYS A 64 2.714 5.192 -1.456 1.00 0.00 C ATOM 1068 C LYS A 64 3.022 6.046 -2.680 1.00 0.00 C ATOM 1069 O LYS A 64 4.017 6.739 -2.744 1.00 0.00 O ATOM 1070 CB LYS A 64 3.077 3.732 -1.735 1.00 0.00 C ATOM 1071 CG LYS A 64 4.572 3.626 -2.042 1.00 0.00 C ATOM 1072 CD LYS A 64 4.967 2.152 -2.145 1.00 0.00 C ATOM 1073 CE LYS A 64 6.491 2.032 -2.185 1.00 0.00 C ATOM 1074 NZ LYS A 64 6.869 0.662 -2.636 1.00 0.00 N ATOM 0 H LYS A 64 0.783 4.433 -0.951 1.00 0.00 H new ATOM 0 HA LYS A 64 3.292 5.530 -0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.827 3.113 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.495 3.356 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.800 4.141 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.151 4.115 -1.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.571 1.598 -1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.533 1.711 -3.042 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.908 2.777 -2.862 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.908 2.230 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.885 0.510 -2.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.323 -0.043 -2.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.664 0.562 -3.651 1.00 0.00 H new ATOM 1088 N ALA A 65 2.141 6.016 -3.640 1.00 0.00 N ATOM 1089 CA ALA A 65 2.331 6.841 -4.858 1.00 0.00 C ATOM 1090 C ALA A 65 2.067 8.306 -4.501 1.00 0.00 C ATOM 1091 O ALA A 65 2.740 9.200 -4.975 1.00 0.00 O ATOM 1092 CB ALA A 65 1.349 6.391 -5.943 1.00 0.00 C ATOM 0 H ALA A 65 1.292 5.450 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 65 3.349 6.726 -5.231 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.491 6.999 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.529 5.343 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.328 6.510 -5.581 1.00 0.00 H new ATOM 1098 N ALA A 66 1.088 8.561 -3.667 1.00 0.00 N ATOM 1099 CA ALA A 66 0.786 9.971 -3.286 1.00 0.00 C ATOM 1100 C ALA A 66 2.040 10.625 -2.701 1.00 0.00 C ATOM 1101 O ALA A 66 2.344 11.768 -2.980 1.00 0.00 O ATOM 1102 CB ALA A 66 -0.333 9.990 -2.243 1.00 0.00 C ATOM 0 H ALA A 66 0.489 7.856 -3.237 1.00 0.00 H new ATOM 0 HA ALA A 66 0.469 10.524 -4.170 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.554 11.021 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.227 9.528 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.016 9.435 -1.360 1.00 0.00 H new ATOM 1108 N LYS A 67 2.771 9.910 -1.890 1.00 0.00 N ATOM 1109 CA LYS A 67 4.004 10.491 -1.286 1.00 0.00 C ATOM 1110 C LYS A 67 5.099 10.571 -2.352 1.00 0.00 C ATOM 1111 O LYS A 67 5.856 11.519 -2.409 1.00 0.00 O ATOM 1112 CB LYS A 67 4.470 9.605 -0.121 1.00 0.00 C ATOM 1113 CG LYS A 67 4.179 10.306 1.211 1.00 0.00 C ATOM 1114 CD LYS A 67 4.657 9.430 2.376 1.00 0.00 C ATOM 1115 CE LYS A 67 3.584 8.391 2.719 1.00 0.00 C ATOM 1116 NZ LYS A 67 4.014 7.614 3.916 1.00 0.00 N ATOM 0 H LYS A 67 2.568 8.948 -1.619 1.00 0.00 H new ATOM 0 HA LYS A 67 3.794 11.492 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.958 8.643 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.537 9.402 -0.210 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.682 11.273 1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.110 10.500 1.304 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.588 8.930 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.867 10.050 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.633 8.885 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.427 7.721 1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.287 6.908 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.913 7.132 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.143 8.260 4.721 1.00 0.00 H new ATOM 1130 N ALA A 68 5.191 9.581 -3.191 1.00 0.00 N ATOM 1131 CA ALA A 68 6.237 9.594 -4.252 1.00 0.00 C ATOM 1132 C ALA A 68 6.145 10.898 -5.051 1.00 0.00 C ATOM 1133 O ALA A 68 6.952 11.160 -5.919 1.00 0.00 O ATOM 1134 CB ALA A 68 6.024 8.406 -5.191 1.00 0.00 C ATOM 0 H ALA A 68 4.586 8.760 -3.189 1.00 0.00 H new ATOM 0 HA ALA A 68 7.221 9.522 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.789 8.414 -5.968 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.093 7.477 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.039 8.478 -5.651 1.00 0.00 H new ATOM 1140 N ILE A 69 5.166 11.715 -4.766 1.00 0.00 N ATOM 1141 CA ILE A 69 5.025 12.999 -5.514 1.00 0.00 C ATOM 1142 C ILE A 69 6.386 13.698 -5.598 1.00 0.00 C ATOM 1143 O ILE A 69 6.677 14.396 -6.549 1.00 0.00 O ATOM 1144 CB ILE A 69 4.022 13.908 -4.790 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.644 15.087 -5.701 1.00 0.00 C ATOM 1146 CG2 ILE A 69 4.649 14.442 -3.498 1.00 0.00 C ATOM 1147 CD1 ILE A 69 2.443 14.707 -6.570 1.00 0.00 C ATOM 0 H ILE A 69 4.459 11.550 -4.049 1.00 0.00 H new ATOM 0 HA ILE A 69 4.664 12.793 -6.521 1.00 0.00 H new ATOM 0 HB ILE A 69 3.127 13.335 -4.548 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.405 15.963 -5.097 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.491 15.356 -6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.935 15.087 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.913 13.607 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.546 15.013 -3.738 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.179 15.546 -7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.698 13.844 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.595 14.460 -5.931 1.00 0.00 H new ATOM 1159 N VAL A 70 7.221 13.515 -4.612 1.00 0.00 N ATOM 1160 CA VAL A 70 8.559 14.169 -4.640 1.00 0.00 C ATOM 1161 C VAL A 70 9.299 13.765 -5.916 1.00 0.00 C ATOM 1162 O VAL A 70 10.118 14.501 -6.431 1.00 0.00 O ATOM 1163 CB VAL A 70 9.369 13.729 -3.422 1.00 0.00 C ATOM 1164 CG1 VAL A 70 10.772 14.334 -3.494 1.00 0.00 C ATOM 1165 CG2 VAL A 70 8.673 14.211 -2.147 1.00 0.00 C ATOM 0 H VAL A 70 7.035 12.942 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 70 8.432 15.251 -4.620 1.00 0.00 H new ATOM 0 HB VAL A 70 9.443 12.642 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.349 14.019 -2.624 1.00 0.00 H new ATOM 0 HG12 VAL A 70 11.269 13.993 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.699 15.421 -3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.250 13.898 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.600 15.298 -2.161 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.673 13.781 -2.093 1.00 0.00 H new ATOM 1175 N ALA A 71 9.015 12.601 -6.434 1.00 0.00 N ATOM 1176 CA ALA A 71 9.701 12.152 -7.677 1.00 0.00 C ATOM 1177 C ALA A 71 9.223 13.003 -8.855 1.00 0.00 C ATOM 1178 O ALA A 71 8.199 12.734 -9.451 1.00 0.00 O ATOM 1179 CB ALA A 71 9.369 10.682 -7.941 1.00 0.00 C ATOM 0 H ALA A 71 8.338 11.942 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 71 10.779 12.264 -7.560 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.871 10.353 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.707 10.076 -7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.292 10.568 -8.060 1.00 0.00 H new ATOM 1185 N GLU A 72 9.954 14.029 -9.193 1.00 0.00 N ATOM 1186 CA GLU A 72 9.540 14.898 -10.331 1.00 0.00 C ATOM 1187 C GLU A 72 8.157 15.489 -10.044 1.00 0.00 C ATOM 1188 O GLU A 72 7.166 14.787 -10.015 1.00 0.00 O ATOM 1189 CB GLU A 72 9.488 14.066 -11.616 1.00 0.00 C ATOM 1190 CG GLU A 72 9.528 14.995 -12.831 1.00 0.00 C ATOM 1191 CD GLU A 72 10.940 15.558 -12.997 1.00 0.00 C ATOM 1192 OE1 GLU A 72 11.813 14.807 -13.400 1.00 0.00 O ATOM 1193 OE2 GLU A 72 11.126 16.731 -12.717 1.00 0.00 O ATOM 0 H GLU A 72 10.821 14.304 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 72 10.260 15.707 -10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.329 13.374 -11.647 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.579 13.465 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.235 14.450 -13.728 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.813 15.808 -12.704 1.00 0.00 H new ATOM 1200 N GLU A 73 8.084 16.775 -9.829 1.00 0.00 N ATOM 1201 CA GLU A 73 6.766 17.410 -9.540 1.00 0.00 C ATOM 1202 C GLU A 73 5.768 17.049 -10.644 1.00 0.00 C ATOM 1203 O GLU A 73 5.625 17.759 -11.619 1.00 0.00 O ATOM 1204 CB GLU A 73 6.933 18.931 -9.486 1.00 0.00 C ATOM 1205 CG GLU A 73 7.841 19.304 -8.311 1.00 0.00 C ATOM 1206 CD GLU A 73 8.191 20.792 -8.389 1.00 0.00 C ATOM 1207 OE1 GLU A 73 7.372 21.548 -8.882 1.00 0.00 O ATOM 1208 OE2 GLU A 73 9.273 21.148 -7.952 1.00 0.00 O ATOM 0 H GLU A 73 8.880 17.413 -9.841 1.00 0.00 H new ATOM 0 HA GLU A 73 6.394 17.048 -8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.362 19.294 -10.420 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.961 19.410 -9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.341 19.086 -7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.751 18.704 -8.336 1.00 0.00 H new ATOM 1215 N ARG A 74 5.075 15.950 -10.494 1.00 0.00 N ATOM 1216 CA ARG A 74 4.080 15.536 -11.528 1.00 0.00 C ATOM 1217 C ARG A 74 2.671 15.621 -10.937 1.00 0.00 C ATOM 1218 O ARG A 74 2.415 15.147 -9.848 1.00 0.00 O ATOM 1219 CB ARG A 74 4.366 14.096 -11.963 1.00 0.00 C ATOM 1220 CG ARG A 74 5.580 14.075 -12.895 1.00 0.00 C ATOM 1221 CD ARG A 74 5.816 12.649 -13.399 1.00 0.00 C ATOM 1222 NE ARG A 74 4.783 12.304 -14.416 1.00 0.00 N ATOM 1223 CZ ARG A 74 4.836 12.836 -15.606 1.00 0.00 C ATOM 1224 NH1 ARG A 74 5.793 13.673 -15.906 1.00 0.00 N ATOM 1225 NH2 ARG A 74 3.932 12.534 -16.498 1.00 0.00 N ATOM 0 H ARG A 74 5.156 15.319 -9.697 1.00 0.00 H new ATOM 0 HA ARG A 74 4.154 16.197 -12.392 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.554 13.472 -11.090 1.00 0.00 H new ATOM 0 HB3 ARG A 74 3.497 13.679 -12.472 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.416 14.747 -13.738 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.463 14.436 -12.367 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.812 12.566 -13.834 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.772 11.946 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 74 4.034 11.652 -14.182 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.499 13.911 -15.210 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.834 14.089 -16.837 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.183 11.882 -16.265 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.974 12.950 -17.428 1.00 0.00 H new ATOM 1239 N LYS A 75 1.754 16.225 -11.645 1.00 0.00 N ATOM 1240 CA LYS A 75 0.363 16.343 -11.122 1.00 0.00 C ATOM 1241 C LYS A 75 -0.430 15.085 -11.487 1.00 0.00 C ATOM 1242 O LYS A 75 -0.327 14.574 -12.583 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.309 17.573 -11.740 1.00 0.00 C ATOM 1244 CG LYS A 75 0.109 17.702 -13.206 1.00 0.00 C ATOM 1245 CD LYS A 75 -0.785 18.729 -13.905 1.00 0.00 C ATOM 1246 CE LYS A 75 -0.123 19.184 -15.207 1.00 0.00 C ATOM 1247 NZ LYS A 75 0.513 18.015 -15.877 1.00 0.00 N ATOM 0 H LYS A 75 1.909 16.642 -12.563 1.00 0.00 H new ATOM 0 HA LYS A 75 0.389 16.450 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.393 17.483 -11.667 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.025 18.470 -11.190 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.153 18.009 -13.272 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.029 16.736 -13.704 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.762 18.293 -14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.952 19.585 -13.252 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.865 19.635 -15.866 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.625 19.949 -14.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.675 18.236 -16.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.422 17.804 -15.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.113 17.188 -15.801 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.217 14.584 -10.574 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.015 13.358 -10.865 1.00 0.00 C ATOM 1263 C ARG A 76 -1.073 12.217 -11.255 1.00 0.00 C ATOM 1264 O ARG A 76 -0.434 12.253 -12.288 1.00 0.00 O ATOM 1265 CB ARG A 76 -2.984 13.638 -12.017 1.00 0.00 C ATOM 1266 CG ARG A 76 -3.641 15.006 -11.815 1.00 0.00 C ATOM 1267 CD ARG A 76 -4.865 15.125 -12.726 1.00 0.00 C ATOM 1268 NE ARG A 76 -4.586 14.447 -14.024 1.00 0.00 N ATOM 1269 CZ ARG A 76 -3.917 15.070 -14.955 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -3.493 16.287 -14.752 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -3.672 14.475 -16.091 1.00 0.00 N ATOM 0 H ARG A 76 -1.342 14.971 -9.638 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.581 13.075 -9.977 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.451 13.616 -12.967 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.746 12.860 -12.061 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.937 15.129 -10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.929 15.800 -12.040 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.734 14.673 -12.247 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -5.105 16.175 -12.896 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.918 13.496 -14.184 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.684 16.752 -13.865 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.970 16.773 -15.481 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.004 13.524 -16.250 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.149 14.962 -16.819 1.00 0.00 H new ATOM 1285 N ILE A 77 -0.979 11.202 -10.436 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.075 10.060 -10.761 1.00 0.00 C ATOM 1287 C ILE A 77 -0.880 8.937 -11.419 1.00 0.00 C ATOM 1288 O ILE A 77 -1.772 8.366 -10.823 1.00 0.00 O ATOM 1289 CB ILE A 77 0.573 9.542 -9.476 1.00 0.00 C ATOM 1290 CG1 ILE A 77 1.432 10.651 -8.863 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.456 8.338 -9.800 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.784 10.287 -7.420 1.00 0.00 C ATOM 0 H ILE A 77 -1.489 11.115 -9.557 1.00 0.00 H new ATOM 0 HA ILE A 77 0.701 10.397 -11.449 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.202 9.244 -8.770 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.342 10.785 -9.447 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.894 11.599 -8.889 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.918 7.969 -8.884 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.848 7.549 -10.243 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.233 8.636 -10.504 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.396 11.077 -6.984 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.868 10.175 -6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.339 9.349 -7.406 1.00 0.00 H new ATOM 1304 N THR A 78 -0.568 8.616 -12.646 1.00 0.00 N ATOM 1305 CA THR A 78 -1.310 7.529 -13.347 1.00 0.00 C ATOM 1306 C THR A 78 -0.760 6.173 -12.904 1.00 0.00 C ATOM 1307 O THR A 78 0.436 5.987 -12.792 1.00 0.00 O ATOM 1308 CB THR A 78 -1.131 7.682 -14.860 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.330 9.042 -15.222 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.148 6.803 -15.588 1.00 0.00 C ATOM 0 H THR A 78 0.169 9.060 -13.193 1.00 0.00 H new ATOM 0 HA THR A 78 -2.369 7.592 -13.099 1.00 0.00 H new ATOM 0 HB THR A 78 -0.124 7.374 -15.141 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.214 9.143 -16.190 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.019 6.913 -16.665 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.994 5.761 -15.309 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.157 7.108 -15.310 1.00 0.00 H new ATOM 1318 N VAL A 79 -1.623 5.227 -12.648 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.154 3.880 -12.207 1.00 0.00 C ATOM 1320 C VAL A 79 -1.769 2.801 -13.102 1.00 0.00 C ATOM 1321 O VAL A 79 -2.890 2.378 -12.900 1.00 0.00 O ATOM 1322 CB VAL A 79 -1.588 3.642 -10.759 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -0.958 2.349 -10.242 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.128 4.816 -9.891 1.00 0.00 C ATOM 0 H VAL A 79 -2.635 5.328 -12.725 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.067 3.834 -12.279 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.674 3.559 -10.714 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.268 2.180 -9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.284 1.513 -10.860 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.128 2.431 -10.286 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.436 4.648 -8.859 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.042 4.899 -9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.578 5.738 -10.259 1.00 0.00 H new ATOM 1334 N THR A 80 -1.040 2.349 -14.087 1.00 0.00 N ATOM 1335 CA THR A 80 -1.580 1.291 -14.992 1.00 0.00 C ATOM 1336 C THR A 80 -1.138 -0.082 -14.479 1.00 0.00 C ATOM 1337 O THR A 80 -1.264 -0.387 -13.309 1.00 0.00 O ATOM 1338 CB THR A 80 -1.039 1.508 -16.409 1.00 0.00 C ATOM 1339 OG1 THR A 80 -1.050 2.897 -16.711 1.00 0.00 O ATOM 1340 CG2 THR A 80 -1.915 0.759 -17.416 1.00 0.00 C ATOM 0 H THR A 80 -0.095 2.666 -14.305 1.00 0.00 H new ATOM 0 HA THR A 80 -2.669 1.342 -15.010 1.00 0.00 H new ATOM 0 HB THR A 80 -0.019 1.130 -16.468 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.703 3.038 -17.616 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.527 0.916 -18.423 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.905 -0.306 -17.185 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.937 1.134 -17.358 1.00 0.00 H new ATOM 1348 N GLU A 81 -0.615 -0.911 -15.344 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.160 -2.264 -14.909 1.00 0.00 C ATOM 1350 C GLU A 81 1.365 -2.273 -14.801 1.00 0.00 C ATOM 1351 O GLU A 81 1.938 -3.018 -14.030 1.00 0.00 O ATOM 1352 CB GLU A 81 -0.607 -3.308 -15.935 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.006 -2.973 -17.302 1.00 0.00 C ATOM 1354 CD GLU A 81 -0.747 -3.752 -18.391 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -1.915 -3.471 -18.602 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -0.133 -4.614 -18.998 1.00 0.00 O ATOM 0 H GLU A 81 -0.483 -0.709 -16.335 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.596 -2.502 -13.939 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.289 -4.302 -15.620 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.695 -3.327 -15.999 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.081 -1.902 -17.491 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.054 -3.226 -17.317 1.00 0.00 H new ATOM 1363 N LYS A 82 2.028 -1.449 -15.567 1.00 0.00 N ATOM 1364 CA LYS A 82 3.516 -1.408 -15.505 1.00 0.00 C ATOM 1365 C LYS A 82 3.946 -0.575 -14.295 1.00 0.00 C ATOM 1366 O LYS A 82 4.792 -0.976 -13.521 1.00 0.00 O ATOM 1367 CB LYS A 82 4.066 -0.770 -16.784 1.00 0.00 C ATOM 1368 CG LYS A 82 3.413 -1.419 -18.009 1.00 0.00 C ATOM 1369 CD LYS A 82 3.866 -2.878 -18.124 1.00 0.00 C ATOM 1370 CE LYS A 82 3.522 -3.410 -19.516 1.00 0.00 C ATOM 1371 NZ LYS A 82 3.616 -4.897 -19.516 1.00 0.00 N ATOM 0 H LYS A 82 1.603 -0.803 -16.232 1.00 0.00 H new ATOM 0 HA LYS A 82 3.906 -2.422 -15.411 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.869 0.302 -16.780 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.148 -0.895 -16.828 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.327 -1.371 -17.923 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.685 -0.871 -18.911 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.939 -2.952 -17.950 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.377 -3.483 -17.361 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.516 -3.098 -19.798 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.204 -2.992 -20.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.382 -5.260 -20.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.584 -5.184 -19.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.948 -5.287 -18.821 1.00 0.00 H new ATOM 1385 N ASN A 83 3.364 0.581 -14.126 1.00 0.00 N ATOM 1386 CA ASN A 83 3.731 1.440 -12.966 1.00 0.00 C ATOM 1387 C ASN A 83 3.742 0.597 -11.689 1.00 0.00 C ATOM 1388 O ASN A 83 4.587 0.764 -10.831 1.00 0.00 O ATOM 1389 CB ASN A 83 2.709 2.571 -12.826 1.00 0.00 C ATOM 1390 CG ASN A 83 2.363 3.118 -14.212 1.00 0.00 C ATOM 1391 OD1 ASN A 83 1.326 3.724 -14.398 1.00 0.00 O ATOM 1392 ND2 ASN A 83 3.193 2.928 -15.201 1.00 0.00 N ATOM 0 H ASN A 83 2.649 0.968 -14.743 1.00 0.00 H new ATOM 0 HA ASN A 83 4.722 1.865 -13.127 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.809 2.204 -12.333 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.114 3.366 -12.200 1.00 0.00 H new ATOM 0 HD21 ASN A 83 2.971 3.288 -16.129 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.064 2.420 -15.046 1.00 0.00 H new ATOM 1399 N LEU A 84 2.805 -0.303 -11.556 1.00 0.00 N ATOM 1400 CA LEU A 84 2.752 -1.161 -10.336 1.00 0.00 C ATOM 1401 C LEU A 84 4.166 -1.593 -9.948 1.00 0.00 C ATOM 1402 O LEU A 84 4.652 -1.269 -8.884 1.00 0.00 O ATOM 1403 CB LEU A 84 1.906 -2.405 -10.619 1.00 0.00 C ATOM 1404 CG LEU A 84 0.597 -1.996 -11.298 1.00 0.00 C ATOM 1405 CD1 LEU A 84 -0.315 -3.217 -11.419 1.00 0.00 C ATOM 1406 CD2 LEU A 84 -0.101 -0.920 -10.461 1.00 0.00 C ATOM 0 H LEU A 84 2.071 -0.482 -12.242 1.00 0.00 H new ATOM 0 HA LEU A 84 2.307 -0.593 -9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.458 -3.094 -11.258 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.695 -2.932 -9.689 1.00 0.00 H new ATOM 0 HG LEU A 84 0.812 -1.600 -12.291 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.248 -2.928 -11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.180 -3.983 -12.015 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.528 -3.612 -10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.033 -0.630 -10.946 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -0.316 -1.314 -9.468 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.549 -0.049 -10.373 1.00 0.00 H new ATOM 1418 N GLN A 85 4.834 -2.317 -10.805 1.00 0.00 N ATOM 1419 CA GLN A 85 6.220 -2.762 -10.484 1.00 0.00 C ATOM 1420 C GLN A 85 7.006 -1.589 -9.894 1.00 0.00 C ATOM 1421 O GLN A 85 7.777 -1.747 -8.970 1.00 0.00 O ATOM 1422 CB GLN A 85 6.909 -3.247 -11.760 1.00 0.00 C ATOM 1423 CG GLN A 85 6.248 -4.539 -12.239 1.00 0.00 C ATOM 1424 CD GLN A 85 7.025 -5.099 -13.432 1.00 0.00 C ATOM 1425 OE1 GLN A 85 6.445 -5.434 -14.446 1.00 0.00 O ATOM 1426 NE2 GLN A 85 8.322 -5.214 -13.354 1.00 0.00 N ATOM 0 H GLN A 85 4.480 -2.619 -11.713 1.00 0.00 H new ATOM 0 HA GLN A 85 6.183 -3.576 -9.761 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.842 -2.483 -12.535 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.969 -3.417 -11.571 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.226 -5.270 -11.431 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.213 -4.347 -12.523 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.809 -4.933 -12.503 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.850 -5.585 -14.144 1.00 0.00 H new ATOM 1435 N ASP A 86 6.815 -0.413 -10.424 1.00 0.00 N ATOM 1436 CA ASP A 86 7.550 0.770 -9.897 1.00 0.00 C ATOM 1437 C ASP A 86 7.136 1.030 -8.445 1.00 0.00 C ATOM 1438 O ASP A 86 7.952 1.370 -7.611 1.00 0.00 O ATOM 1439 CB ASP A 86 7.219 1.998 -10.750 1.00 0.00 C ATOM 1440 CG ASP A 86 8.281 3.078 -10.529 1.00 0.00 C ATOM 1441 OD1 ASP A 86 8.743 3.205 -9.408 1.00 0.00 O ATOM 1442 OD2 ASP A 86 8.614 3.758 -11.486 1.00 0.00 O ATOM 0 H ASP A 86 6.181 -0.220 -11.200 1.00 0.00 H new ATOM 0 HA ASP A 86 8.622 0.576 -9.937 1.00 0.00 H new ATOM 0 HB2 ASP A 86 7.181 1.722 -11.804 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.234 2.383 -10.485 1.00 0.00 H new ATOM 1447 N PHE A 87 5.877 0.876 -8.135 1.00 0.00 N ATOM 1448 CA PHE A 87 5.422 1.119 -6.736 1.00 0.00 C ATOM 1449 C PHE A 87 5.735 -0.109 -5.877 1.00 0.00 C ATOM 1450 O PHE A 87 6.540 -0.054 -4.967 1.00 0.00 O ATOM 1451 CB PHE A 87 3.913 1.380 -6.722 1.00 0.00 C ATOM 1452 CG PHE A 87 3.608 2.662 -7.466 1.00 0.00 C ATOM 1453 CD1 PHE A 87 4.082 3.887 -6.976 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.848 2.628 -8.643 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.797 5.073 -7.664 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.565 3.816 -9.329 1.00 0.00 C ATOM 1457 CZ PHE A 87 3.040 5.037 -8.839 1.00 0.00 C ATOM 0 H PHE A 87 5.146 0.593 -8.788 1.00 0.00 H new ATOM 0 HA PHE A 87 5.942 1.988 -6.333 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.386 0.546 -7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.556 1.451 -5.694 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.667 3.916 -6.068 1.00 0.00 H new ATOM 0 HD2 PHE A 87 2.480 1.686 -9.021 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.162 6.017 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.980 3.789 -10.236 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.822 5.953 -9.369 1.00 0.00 H new ATOM 1467 N ILE A 88 5.103 -1.218 -6.156 1.00 0.00 N ATOM 1468 CA ILE A 88 5.361 -2.447 -5.355 1.00 0.00 C ATOM 1469 C ILE A 88 6.726 -3.031 -5.743 1.00 0.00 C ATOM 1470 O ILE A 88 7.571 -3.267 -4.902 1.00 0.00 O ATOM 1471 CB ILE A 88 4.236 -3.466 -5.620 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.248 -3.458 -4.445 1.00 0.00 C ATOM 1473 CG2 ILE A 88 4.804 -4.878 -5.789 1.00 0.00 C ATOM 1474 CD1 ILE A 88 1.929 -4.110 -4.873 1.00 0.00 C ATOM 0 H ILE A 88 4.419 -1.325 -6.905 1.00 0.00 H new ATOM 0 HA ILE A 88 5.376 -2.208 -4.292 1.00 0.00 H new ATOM 0 HB ILE A 88 3.727 -3.181 -6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.672 -3.996 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.069 -2.435 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.989 -5.578 -5.975 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.495 -4.894 -6.632 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.332 -5.169 -4.881 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.231 -4.102 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.502 -3.553 -5.707 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.115 -5.139 -5.181 1.00 0.00 H new ATOM 1486 N GLY A 89 6.950 -3.265 -7.008 1.00 0.00 N ATOM 1487 CA GLY A 89 8.258 -3.834 -7.442 1.00 0.00 C ATOM 1488 C GLY A 89 8.490 -5.179 -6.750 1.00 0.00 C ATOM 1489 O GLY A 89 9.526 -5.414 -6.159 1.00 0.00 O ATOM 0 H GLY A 89 6.284 -3.087 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.268 -3.964 -8.524 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.065 -3.144 -7.197 1.00 0.00 H new ATOM 1493 N LYS A 90 7.535 -6.067 -6.823 1.00 0.00 N ATOM 1494 CA LYS A 90 7.697 -7.400 -6.173 1.00 0.00 C ATOM 1495 C LYS A 90 6.517 -8.294 -6.559 1.00 0.00 C ATOM 1496 O LYS A 90 5.514 -7.830 -7.065 1.00 0.00 O ATOM 1497 CB LYS A 90 7.732 -7.227 -4.652 1.00 0.00 C ATOM 1498 CG LYS A 90 8.150 -8.545 -3.994 1.00 0.00 C ATOM 1499 CD LYS A 90 8.534 -8.288 -2.535 1.00 0.00 C ATOM 1500 CE LYS A 90 8.769 -9.622 -1.826 1.00 0.00 C ATOM 1501 NZ LYS A 90 9.628 -10.493 -2.679 1.00 0.00 N ATOM 0 H LYS A 90 6.648 -5.926 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 90 8.628 -7.859 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.432 -6.436 -4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.751 -6.922 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.333 -9.264 -4.045 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.992 -8.981 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.434 -7.675 -2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.743 -7.731 -2.032 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.247 -9.454 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.817 -10.114 -1.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.078 -11.222 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.044 -10.950 -3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.362 -9.916 -3.136 1.00 0.00 H new ATOM 1515 N ARG A 91 6.623 -9.575 -6.327 1.00 0.00 N ATOM 1516 CA ARG A 91 5.502 -10.489 -6.684 1.00 0.00 C ATOM 1517 C ARG A 91 5.641 -11.802 -5.910 1.00 0.00 C ATOM 1518 O ARG A 91 6.587 -12.004 -5.174 1.00 0.00 O ATOM 1519 CB ARG A 91 5.537 -10.779 -8.187 1.00 0.00 C ATOM 1520 CG ARG A 91 6.857 -11.463 -8.548 1.00 0.00 C ATOM 1521 CD ARG A 91 6.952 -11.625 -10.067 1.00 0.00 C ATOM 1522 NE ARG A 91 8.077 -12.543 -10.401 1.00 0.00 N ATOM 1523 CZ ARG A 91 8.462 -12.680 -11.641 1.00 0.00 C ATOM 1524 NH1 ARG A 91 7.861 -12.013 -12.588 1.00 0.00 N ATOM 1525 NH2 ARG A 91 9.446 -13.484 -11.934 1.00 0.00 N ATOM 0 H ARG A 91 7.436 -10.026 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 91 4.555 -10.015 -6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.698 -11.417 -8.464 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.431 -9.851 -8.749 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.697 -10.872 -8.182 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.918 -12.438 -8.064 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.016 -12.022 -10.460 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.109 -10.654 -10.538 1.00 0.00 H new ATOM 0 HE ARG A 91 8.546 -13.065 -9.661 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.091 -11.385 -12.359 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.162 -12.120 -13.557 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.915 -14.006 -11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.746 -13.591 -12.903 1.00 0.00 H new ATOM 1539 N ILE A 92 4.703 -12.697 -6.073 1.00 0.00 N ATOM 1540 CA ILE A 92 4.771 -14.002 -5.352 1.00 0.00 C ATOM 1541 C ILE A 92 4.304 -15.120 -6.286 1.00 0.00 C ATOM 1542 O ILE A 92 4.899 -16.178 -6.350 1.00 0.00 O ATOM 1543 CB ILE A 92 3.863 -13.950 -4.122 1.00 0.00 C ATOM 1544 CG1 ILE A 92 4.167 -12.684 -3.317 1.00 0.00 C ATOM 1545 CG2 ILE A 92 4.110 -15.181 -3.248 1.00 0.00 C ATOM 1546 CD1 ILE A 92 3.341 -12.686 -2.030 1.00 0.00 C ATOM 0 H ILE A 92 3.889 -12.580 -6.677 1.00 0.00 H new ATOM 0 HA ILE A 92 5.797 -14.195 -5.038 1.00 0.00 H new ATOM 0 HB ILE A 92 2.821 -13.937 -4.442 1.00 0.00 H new ATOM 0 HG12 ILE A 92 5.230 -12.638 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.934 -11.799 -3.909 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.462 -15.142 -2.372 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.893 -16.083 -3.820 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.152 -15.197 -2.928 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.558 -11.784 -1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.280 -12.712 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.596 -13.563 -1.436 1.00 0.00 H new ATOM 1558 N PHE A 93 3.242 -14.894 -7.013 1.00 0.00 N ATOM 1559 CA PHE A 93 2.734 -15.943 -7.944 1.00 0.00 C ATOM 1560 C PHE A 93 3.361 -15.749 -9.326 1.00 0.00 C ATOM 1561 O PHE A 93 3.328 -14.670 -9.886 1.00 0.00 O ATOM 1562 CB PHE A 93 1.213 -15.830 -8.057 1.00 0.00 C ATOM 1563 CG PHE A 93 0.589 -16.043 -6.699 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.606 -15.013 -5.752 1.00 0.00 C ATOM 1565 CD2 PHE A 93 -0.008 -17.270 -6.388 1.00 0.00 C ATOM 1566 CE1 PHE A 93 0.027 -15.210 -4.493 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -0.588 -17.468 -5.129 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.570 -16.437 -4.181 1.00 0.00 C ATOM 0 H PHE A 93 2.704 -14.027 -7.002 1.00 0.00 H new ATOM 0 HA PHE A 93 3.000 -16.928 -7.559 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.939 -14.849 -8.445 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.834 -16.569 -8.763 1.00 0.00 H new ATOM 0 HD1 PHE A 93 1.066 -14.066 -5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.021 -18.065 -7.119 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.041 -14.415 -3.762 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.049 -18.415 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.017 -16.589 -3.209 1.00 0.00 H new ATOM 1578 N ARG A 94 3.928 -16.787 -9.882 1.00 0.00 N ATOM 1579 CA ARG A 94 4.556 -16.672 -11.232 1.00 0.00 C ATOM 1580 C ARG A 94 3.724 -17.459 -12.245 1.00 0.00 C ATOM 1581 O ARG A 94 3.926 -18.641 -12.444 1.00 0.00 O ATOM 1582 CB ARG A 94 5.974 -17.246 -11.186 1.00 0.00 C ATOM 1583 CG ARG A 94 6.670 -16.993 -12.524 1.00 0.00 C ATOM 1584 CD ARG A 94 8.117 -17.486 -12.450 1.00 0.00 C ATOM 1585 NE ARG A 94 8.875 -16.650 -11.477 1.00 0.00 N ATOM 1586 CZ ARG A 94 10.176 -16.727 -11.426 1.00 0.00 C ATOM 1587 NH1 ARG A 94 10.815 -17.535 -12.228 1.00 0.00 N ATOM 1588 NH2 ARG A 94 10.840 -15.996 -10.573 1.00 0.00 N ATOM 0 H ARG A 94 3.984 -17.713 -9.458 1.00 0.00 H new ATOM 0 HA ARG A 94 4.597 -15.623 -11.527 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.539 -16.783 -10.377 1.00 0.00 H new ATOM 0 HB3 ARG A 94 5.938 -18.316 -10.979 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.140 -17.509 -13.325 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.649 -15.929 -12.761 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.141 -18.532 -12.144 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.583 -17.431 -13.434 1.00 0.00 H new ATOM 0 HE ARG A 94 8.377 -16.018 -10.851 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.297 -18.107 -12.895 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.832 -17.595 -12.187 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.342 -15.364 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.857 -16.056 -10.533 1.00 0.00 H new ATOM 1602 N TYR A 95 2.786 -16.816 -12.885 1.00 0.00 N ATOM 1603 CA TYR A 95 1.941 -17.532 -13.882 1.00 0.00 C ATOM 1604 C TYR A 95 1.358 -18.793 -13.239 1.00 0.00 C ATOM 1605 O TYR A 95 0.447 -18.727 -12.437 1.00 0.00 O ATOM 1606 CB TYR A 95 2.796 -17.922 -15.092 1.00 0.00 C ATOM 1607 CG TYR A 95 2.937 -16.736 -16.018 1.00 0.00 C ATOM 1608 CD1 TYR A 95 3.882 -15.740 -15.742 1.00 0.00 C ATOM 1609 CD2 TYR A 95 2.124 -16.633 -17.153 1.00 0.00 C ATOM 1610 CE1 TYR A 95 4.013 -14.641 -16.600 1.00 0.00 C ATOM 1611 CE2 TYR A 95 2.254 -15.534 -18.011 1.00 0.00 C ATOM 1612 CZ TYR A 95 3.198 -14.539 -17.735 1.00 0.00 C ATOM 1613 OH TYR A 95 3.327 -13.455 -18.580 1.00 0.00 O ATOM 0 H TYR A 95 2.568 -15.827 -12.761 1.00 0.00 H new ATOM 0 HA TYR A 95 1.130 -16.881 -14.208 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.779 -18.257 -14.762 1.00 0.00 H new ATOM 0 HB3 TYR A 95 2.336 -18.756 -15.621 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.510 -15.819 -14.867 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.396 -17.402 -17.367 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.742 -13.873 -16.387 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.626 -15.454 -18.886 1.00 0.00 H new ATOM 0 HH TYR A 95 2.689 -13.538 -19.319 1.00 0.00 H new TER 1623 TYR A 95