USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 943 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 Single : A 8 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0206) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0187 X(o=-0.019,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0072 X(o=-0.0072,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -109:sc= -0.089 (180deg=-1.59!) USER MOD Single : A 33 GLN : amide:sc= -0.0307 X(o=-0.031,f=-0.47) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.43) USER MOD Single : A 44 MET CE :methyl 169:sc= -1.17 (180deg=-1.28) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -109:sc= -7.51! (180deg=-16.9!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 50 ASN : amide:sc= -2.83! C(o=-2.8!,f=-4.2!) USER MOD Single : A 52 HIS : no HE2:sc= -12.4! C(o=-12!,f=-21!) USER MOD Single : A 53 HIS : no HD1:sc= -0.166 K(o=-0.17,f=-0.92) USER MOD Single : A 57 SER OG : rot 180:sc= -0.71! USER MOD Single : A 60 ASN : amide:sc= 0.849 K(o=0.85,f=-0.93) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.074) USER MOD Single : A 76 ASN : amide:sc= -0.723 K(o=-0.72,f=-0.00031) USER MOD Single : A 79 THR OG1 : rot 150:sc= -1.56! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.789! USER MOD Single : A 90 GLN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 97 GLN : amide:sc= -0.0951 X(o=-0.095,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.2) USER MOD Single : A 106 ASN : amide:sc= -1.81! C(o=-1.8!,f=-9.3!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0425 USER MOD Single : A 116 LYS NZ :NH3+ 164:sc=-0.00929 (180deg=-0.244) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N ILE A 7 -3.052 -9.570 -10.323 1.00 0.00 N ATOM 96 CA ILE A 7 -3.004 -8.201 -9.838 1.00 0.00 C ATOM 97 C ILE A 7 -4.105 -7.995 -8.797 1.00 0.00 C ATOM 98 O ILE A 7 -5.263 -8.330 -9.038 1.00 0.00 O ATOM 99 CB ILE A 7 -3.070 -7.217 -11.008 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.274 -7.735 -12.207 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.615 -5.821 -10.577 1.00 0.00 C ATOM 102 CD1 ILE A 7 -3.183 -8.467 -13.195 1.00 0.00 C ATOM 0 HA ILE A 7 -2.054 -8.005 -9.340 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.110 -7.133 -11.325 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.782 -6.902 -12.709 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.489 -8.408 -11.863 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.672 -5.141 -11.427 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.262 -5.458 -9.778 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.587 -5.868 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.591 -8.825 -14.038 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.654 -9.314 -12.697 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.952 -7.785 -13.556 1.00 0.00 H new ATOM 114 N LYS A 8 -3.705 -7.443 -7.660 1.00 0.00 N ATOM 115 CA LYS A 8 -4.643 -7.187 -6.581 1.00 0.00 C ATOM 116 C LYS A 8 -4.169 -5.976 -5.775 1.00 0.00 C ATOM 117 O LYS A 8 -2.982 -5.847 -5.480 1.00 0.00 O ATOM 118 CB LYS A 8 -4.845 -8.447 -5.737 1.00 0.00 C ATOM 119 CG LYS A 8 -6.239 -9.037 -5.957 1.00 0.00 C ATOM 120 CD LYS A 8 -7.318 -8.137 -5.350 1.00 0.00 C ATOM 121 CE LYS A 8 -7.810 -8.695 -4.014 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.808 -9.766 -4.234 1.00 0.00 N ATOM 0 H LYS A 8 -2.743 -7.166 -7.463 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.626 -6.938 -6.981 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.088 -9.187 -5.996 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.710 -8.208 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.421 -9.160 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.293 -10.029 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.919 -7.133 -5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.155 -8.050 -6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.967 -9.087 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.252 -7.895 -3.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.093 -10.168 -3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.642 -9.370 -4.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.391 -10.513 -4.825 1.00 0.00 H new ATOM 136 N VAL A 9 -5.122 -5.117 -5.442 1.00 0.00 N ATOM 137 CA VAL A 9 -4.817 -3.921 -4.677 1.00 0.00 C ATOM 138 C VAL A 9 -5.731 -3.857 -3.451 1.00 0.00 C ATOM 139 O VAL A 9 -6.932 -4.106 -3.555 1.00 0.00 O ATOM 140 CB VAL A 9 -4.929 -2.684 -5.570 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.551 -2.235 -6.060 1.00 0.00 C ATOM 142 CG2 VAL A 9 -5.872 -2.943 -6.747 1.00 0.00 C ATOM 0 H VAL A 9 -6.106 -5.226 -5.688 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.789 -3.952 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.351 -1.876 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.659 -1.354 -6.693 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.922 -1.992 -5.204 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.089 -3.039 -6.633 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.935 -2.049 -7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.490 -3.772 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.864 -3.194 -6.370 1.00 0.00 H new ATOM 152 N LEU A 10 -5.128 -3.525 -2.319 1.00 0.00 N ATOM 153 CA LEU A 10 -5.874 -3.426 -1.076 1.00 0.00 C ATOM 154 C LEU A 10 -5.842 -1.979 -0.581 1.00 0.00 C ATOM 155 O LEU A 10 -4.771 -1.413 -0.375 1.00 0.00 O ATOM 156 CB LEU A 10 -5.348 -4.437 -0.054 1.00 0.00 C ATOM 157 CG LEU A 10 -5.270 -3.948 1.394 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.030 -3.081 1.614 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.556 -3.223 1.797 1.00 0.00 C ATOM 0 H LEU A 10 -4.132 -3.321 -2.236 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.920 -3.685 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.986 -5.320 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.352 -4.753 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.173 -4.818 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.999 -2.747 2.651 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.135 -3.663 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.071 -2.214 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.475 -2.886 2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.708 -2.363 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.402 -3.904 1.703 1.00 0.00 H new ATOM 171 N ILE A 11 -7.032 -1.421 -0.404 1.00 0.00 N ATOM 172 CA ILE A 11 -7.154 -0.051 0.063 1.00 0.00 C ATOM 173 C ILE A 11 -7.889 -0.037 1.404 1.00 0.00 C ATOM 174 O ILE A 11 -9.115 0.055 1.443 1.00 0.00 O ATOM 175 CB ILE A 11 -7.811 0.823 -1.008 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.116 0.197 -1.501 1.00 0.00 C ATOM 177 CG2 ILE A 11 -6.840 1.106 -2.156 1.00 0.00 C ATOM 178 CD1 ILE A 11 -8.849 -0.835 -2.598 1.00 0.00 C ATOM 0 H ILE A 11 -7.919 -1.894 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.169 0.382 0.235 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.065 1.783 -0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.633 -0.279 -0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.776 0.976 -1.883 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.332 1.729 -2.903 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.963 1.626 -1.771 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.533 0.165 -2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.794 -1.265 -2.931 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.354 -0.351 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.209 -1.625 -2.206 1.00 0.00 H new ATOM 190 N VAL A 12 -7.110 -0.132 2.471 1.00 0.00 N ATOM 191 CA VAL A 12 -7.672 -0.131 3.811 1.00 0.00 C ATOM 192 C VAL A 12 -7.010 0.973 4.637 1.00 0.00 C ATOM 193 O VAL A 12 -5.796 1.163 4.568 1.00 0.00 O ATOM 194 CB VAL A 12 -7.525 -1.517 4.441 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.088 -1.758 4.907 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.514 -1.704 5.593 1.00 0.00 C ATOM 0 H VAL A 12 -6.094 -0.210 2.435 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.740 0.085 3.776 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.758 -2.258 3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.011 -2.750 5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.413 -1.689 4.054 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.815 -1.007 5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.388 -2.698 6.023 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.327 -0.951 6.359 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.532 -1.597 5.219 1.00 0.00 H new ATOM 206 N ASP A 13 -7.836 1.676 5.398 1.00 0.00 N ATOM 207 CA ASP A 13 -7.346 2.756 6.236 1.00 0.00 C ATOM 208 C ASP A 13 -8.198 2.839 7.505 1.00 0.00 C ATOM 209 O ASP A 13 -9.217 2.160 7.618 1.00 0.00 O ATOM 210 CB ASP A 13 -7.443 4.101 5.514 1.00 0.00 C ATOM 211 CG ASP A 13 -6.846 4.124 4.105 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.159 3.185 3.341 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.089 5.077 3.825 1.00 0.00 O ATOM 0 H ASP A 13 -8.842 1.518 5.451 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.303 2.549 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.493 4.388 5.452 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.941 4.857 6.117 1.00 0.00 H new ATOM 218 N ASP A 14 -7.748 3.677 8.428 1.00 0.00 N ATOM 219 CA ASP A 14 -8.457 3.857 9.684 1.00 0.00 C ATOM 220 C ASP A 14 -9.657 4.778 9.460 1.00 0.00 C ATOM 221 O ASP A 14 -10.546 4.862 10.306 1.00 0.00 O ATOM 222 CB ASP A 14 -7.554 4.503 10.737 1.00 0.00 C ATOM 223 CG ASP A 14 -7.857 4.102 12.182 1.00 0.00 C ATOM 224 OD1 ASP A 14 -7.299 3.069 12.613 1.00 0.00 O ATOM 225 OD2 ASP A 14 -8.639 4.837 12.824 1.00 0.00 O ATOM 0 H ASP A 14 -6.902 4.238 8.331 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.776 2.876 10.035 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.519 4.245 10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.638 5.586 10.651 1.00 0.00 H new ATOM 230 N GLN A 15 -9.644 5.448 8.316 1.00 0.00 N ATOM 231 CA GLN A 15 -10.720 6.359 7.970 1.00 0.00 C ATOM 232 C GLN A 15 -10.992 6.314 6.466 1.00 0.00 C ATOM 233 O GLN A 15 -10.062 6.362 5.661 1.00 0.00 O ATOM 234 CB GLN A 15 -10.400 7.784 8.427 1.00 0.00 C ATOM 235 CG GLN A 15 -11.659 8.496 8.927 1.00 0.00 C ATOM 236 CD GLN A 15 -11.366 9.300 10.196 1.00 0.00 C ATOM 237 OE1 GLN A 15 -11.769 8.947 11.292 1.00 0.00 O ATOM 238 NE2 GLN A 15 -10.644 10.397 9.987 1.00 0.00 N ATOM 0 H GLN A 15 -8.904 5.377 7.617 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.622 6.039 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.654 7.756 9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.964 8.346 7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.038 9.160 8.151 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.440 7.763 9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.339 10.634 9.043 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.396 11.001 10.771 1.00 0.00 H new ATOM 247 N VAL A 16 -12.270 6.221 6.130 1.00 0.00 N ATOM 248 CA VAL A 16 -12.676 6.168 4.735 1.00 0.00 C ATOM 249 C VAL A 16 -12.004 7.309 3.969 1.00 0.00 C ATOM 250 O VAL A 16 -11.376 7.084 2.936 1.00 0.00 O ATOM 251 CB VAL A 16 -14.202 6.197 4.633 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.778 4.779 4.631 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.812 7.035 5.757 1.00 0.00 C ATOM 0 H VAL A 16 -13.038 6.181 6.800 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.351 5.234 4.278 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.465 6.667 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.864 4.828 4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.381 4.226 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.499 4.272 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.898 7.038 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.535 6.608 6.721 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.439 8.057 5.692 1.00 0.00 H new ATOM 263 N THR A 17 -12.158 8.511 4.506 1.00 0.00 N ATOM 264 CA THR A 17 -11.574 9.688 3.887 1.00 0.00 C ATOM 265 C THR A 17 -10.173 9.374 3.358 1.00 0.00 C ATOM 266 O THR A 17 -9.874 9.626 2.192 1.00 0.00 O ATOM 267 CB THR A 17 -11.596 10.823 4.913 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.776 10.345 5.976 1.00 0.00 O ATOM 269 CG2 THR A 17 -12.972 11.005 5.556 1.00 0.00 C ATOM 0 H THR A 17 -12.679 8.694 5.363 1.00 0.00 H new ATOM 0 HA THR A 17 -12.151 10.005 3.018 1.00 0.00 H new ATOM 0 HB THR A 17 -11.295 11.754 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.733 11.020 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.932 11.823 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.706 11.236 4.784 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.259 10.086 6.067 1.00 0.00 H new ATOM 277 N SER A 18 -9.351 8.827 4.243 1.00 0.00 N ATOM 278 CA SER A 18 -7.988 8.475 3.880 1.00 0.00 C ATOM 279 C SER A 18 -7.998 7.378 2.814 1.00 0.00 C ATOM 280 O SER A 18 -7.367 7.518 1.768 1.00 0.00 O ATOM 281 CB SER A 18 -7.193 8.019 5.104 1.00 0.00 C ATOM 282 OG SER A 18 -6.950 9.090 6.013 1.00 0.00 O ATOM 0 H SER A 18 -9.603 8.619 5.209 1.00 0.00 H new ATOM 0 HA SER A 18 -7.501 9.362 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.739 7.226 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.242 7.595 4.781 1.00 0.00 H new ATOM 0 HG SER A 18 -6.441 8.757 6.782 1.00 0.00 H new ATOM 288 N ARG A 19 -8.720 6.309 3.117 1.00 0.00 N ATOM 289 CA ARG A 19 -8.820 5.188 2.197 1.00 0.00 C ATOM 290 C ARG A 19 -9.526 5.618 0.910 1.00 0.00 C ATOM 291 O ARG A 19 -8.895 5.731 -0.140 1.00 0.00 O ATOM 292 CB ARG A 19 -9.589 4.025 2.828 1.00 0.00 C ATOM 293 CG ARG A 19 -9.496 2.771 1.957 1.00 0.00 C ATOM 294 CD ARG A 19 -10.686 2.680 0.999 1.00 0.00 C ATOM 295 NE ARG A 19 -11.954 2.728 1.762 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.383 1.749 2.570 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.649 0.640 2.727 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.547 1.880 3.221 1.00 0.00 N ATOM 0 H ARG A 19 -9.241 6.195 3.986 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.807 4.857 1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.188 3.814 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.634 4.304 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.567 2.787 1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.466 1.885 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.651 3.501 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.632 1.755 0.425 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.538 3.559 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.763 0.540 2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.976 -0.105 3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.106 2.725 3.101 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.874 1.135 3.836 1.00 0.00 H new ATOM 312 N LEU A 20 -10.825 5.847 1.033 1.00 0.00 N ATOM 313 CA LEU A 20 -11.622 6.263 -0.108 1.00 0.00 C ATOM 314 C LEU A 20 -10.820 7.255 -0.952 1.00 0.00 C ATOM 315 O LEU A 20 -10.981 7.312 -2.170 1.00 0.00 O ATOM 316 CB LEU A 20 -12.978 6.803 0.354 1.00 0.00 C ATOM 317 CG LEU A 20 -13.271 8.264 0.006 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.669 8.669 0.474 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.188 9.190 0.567 1.00 0.00 C ATOM 0 H LEU A 20 -11.345 5.752 1.905 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.846 5.409 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.761 6.182 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.043 6.688 1.436 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.252 8.367 -1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.852 9.712 0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.413 8.038 -0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.741 8.546 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.421 10.222 0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.150 9.090 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.221 8.917 0.144 1.00 0.00 H new ATOM 331 N LEU A 21 -9.972 8.012 -0.271 1.00 0.00 N ATOM 332 CA LEU A 21 -9.145 8.999 -0.943 1.00 0.00 C ATOM 333 C LEU A 21 -8.126 8.284 -1.832 1.00 0.00 C ATOM 334 O LEU A 21 -8.007 8.590 -3.018 1.00 0.00 O ATOM 335 CB LEU A 21 -8.512 9.950 0.075 1.00 0.00 C ATOM 336 CG LEU A 21 -9.325 11.200 0.421 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.854 11.810 1.743 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.286 12.212 -0.724 1.00 0.00 C ATOM 0 H LEU A 21 -9.840 7.961 0.739 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.754 9.626 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.327 9.395 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.542 10.266 -0.307 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.366 10.906 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.447 12.697 1.966 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.976 11.081 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.803 12.088 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.871 13.091 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.254 12.507 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.705 11.760 -1.623 1.00 0.00 H new ATOM 350 N LEU A 22 -7.415 7.343 -1.226 1.00 0.00 N ATOM 351 CA LEU A 22 -6.410 6.582 -1.947 1.00 0.00 C ATOM 352 C LEU A 22 -7.103 5.640 -2.934 1.00 0.00 C ATOM 353 O LEU A 22 -6.699 5.544 -4.093 1.00 0.00 O ATOM 354 CB LEU A 22 -5.475 5.868 -0.970 1.00 0.00 C ATOM 355 CG LEU A 22 -6.148 4.958 0.060 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.699 3.695 -0.602 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.194 4.633 1.211 1.00 0.00 C ATOM 0 H LEU A 22 -7.516 7.091 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.774 7.247 -2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.768 5.271 -1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.896 6.621 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.996 5.494 0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.172 3.066 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.435 3.971 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.884 3.146 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.697 3.985 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.312 4.126 0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.892 5.556 1.705 1.00 0.00 H new ATOM 369 N GLY A 23 -8.132 4.969 -2.440 1.00 0.00 N ATOM 370 CA GLY A 23 -8.884 4.039 -3.265 1.00 0.00 C ATOM 371 C GLY A 23 -9.438 4.733 -4.511 1.00 0.00 C ATOM 372 O GLY A 23 -9.582 4.109 -5.561 1.00 0.00 O ATOM 0 H GLY A 23 -8.463 5.051 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.242 3.210 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.704 3.615 -2.686 1.00 0.00 H new ATOM 376 N ASP A 24 -9.731 6.015 -4.353 1.00 0.00 N ATOM 377 CA ASP A 24 -10.265 6.802 -5.452 1.00 0.00 C ATOM 378 C ASP A 24 -9.138 7.132 -6.433 1.00 0.00 C ATOM 379 O ASP A 24 -9.295 6.970 -7.642 1.00 0.00 O ATOM 380 CB ASP A 24 -10.857 8.120 -4.949 1.00 0.00 C ATOM 381 CG ASP A 24 -12.359 8.087 -4.664 1.00 0.00 C ATOM 382 OD1 ASP A 24 -13.085 7.519 -5.507 1.00 0.00 O ATOM 383 OD2 ASP A 24 -12.749 8.633 -3.608 1.00 0.00 O ATOM 0 H ASP A 24 -9.609 6.529 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.047 6.218 -5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.336 8.410 -4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.660 8.895 -5.689 1.00 0.00 H new ATOM 388 N ALA A 25 -8.028 7.591 -5.874 1.00 0.00 N ATOM 389 CA ALA A 25 -6.874 7.946 -6.684 1.00 0.00 C ATOM 390 C ALA A 25 -6.283 6.678 -7.304 1.00 0.00 C ATOM 391 O ALA A 25 -5.996 6.643 -8.500 1.00 0.00 O ATOM 392 CB ALA A 25 -5.860 8.702 -5.824 1.00 0.00 C ATOM 0 H ALA A 25 -7.903 7.725 -4.871 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.166 8.607 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.995 8.968 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.320 9.609 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.541 8.069 -4.996 1.00 0.00 H new ATOM 398 N LEU A 26 -6.117 5.668 -6.464 1.00 0.00 N ATOM 399 CA LEU A 26 -5.565 4.402 -6.914 1.00 0.00 C ATOM 400 C LEU A 26 -6.405 3.870 -8.077 1.00 0.00 C ATOM 401 O LEU A 26 -5.869 3.541 -9.135 1.00 0.00 O ATOM 402 CB LEU A 26 -5.445 3.423 -5.744 1.00 0.00 C ATOM 403 CG LEU A 26 -4.185 3.554 -4.886 1.00 0.00 C ATOM 404 CD1 LEU A 26 -2.941 3.725 -5.762 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.329 4.687 -3.869 1.00 0.00 C ATOM 0 H LEU A 26 -6.355 5.701 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.551 4.540 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.314 3.550 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.487 2.408 -6.140 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.058 2.630 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.059 3.816 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.832 2.857 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.045 4.624 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.420 4.758 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.493 5.628 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.177 4.483 -3.215 1.00 0.00 H new ATOM 417 N GLN A 27 -7.706 3.801 -7.843 1.00 0.00 N ATOM 418 CA GLN A 27 -8.625 3.314 -8.858 1.00 0.00 C ATOM 419 C GLN A 27 -8.535 4.181 -10.116 1.00 0.00 C ATOM 420 O GLN A 27 -8.710 3.688 -11.228 1.00 0.00 O ATOM 421 CB GLN A 27 -10.058 3.269 -8.325 1.00 0.00 C ATOM 422 CG GLN A 27 -10.650 4.677 -8.222 1.00 0.00 C ATOM 423 CD GLN A 27 -12.177 4.627 -8.164 1.00 0.00 C ATOM 424 OE1 GLN A 27 -12.772 3.998 -7.304 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.778 5.324 -9.125 1.00 0.00 N ATOM 0 H GLN A 27 -8.147 4.074 -6.965 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.338 2.296 -9.121 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.676 2.658 -8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.070 2.793 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.265 5.173 -7.331 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.334 5.272 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.220 5.828 -9.814 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.796 5.354 -9.173 1.00 0.00 H new ATOM 434 N GLN A 28 -8.262 5.459 -9.896 1.00 0.00 N ATOM 435 CA GLN A 28 -8.146 6.400 -10.997 1.00 0.00 C ATOM 436 C GLN A 28 -6.781 6.259 -11.675 1.00 0.00 C ATOM 437 O GLN A 28 -6.559 6.812 -12.751 1.00 0.00 O ATOM 438 CB GLN A 28 -8.376 7.835 -10.519 1.00 0.00 C ATOM 439 CG GLN A 28 -8.965 8.699 -11.637 1.00 0.00 C ATOM 440 CD GLN A 28 -9.090 10.158 -11.194 1.00 0.00 C ATOM 441 OE1 GLN A 28 -8.116 10.881 -11.071 1.00 0.00 O ATOM 442 NE2 GLN A 28 -10.340 10.547 -10.963 1.00 0.00 N ATOM 0 H GLN A 28 -8.118 5.865 -8.971 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.919 6.168 -11.730 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.050 7.833 -9.663 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.433 8.265 -10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.331 8.637 -12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.945 8.316 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.110 9.889 -11.086 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.529 11.503 -10.663 1.00 0.00 H new ATOM 451 N LEU A 29 -5.904 5.517 -11.015 1.00 0.00 N ATOM 452 CA LEU A 29 -4.567 5.297 -11.541 1.00 0.00 C ATOM 453 C LEU A 29 -4.624 4.237 -12.644 1.00 0.00 C ATOM 454 O LEU A 29 -4.095 4.443 -13.734 1.00 0.00 O ATOM 455 CB LEU A 29 -3.597 4.954 -10.409 1.00 0.00 C ATOM 456 CG LEU A 29 -3.271 3.469 -10.231 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.294 2.989 -11.306 1.00 0.00 C ATOM 458 CD2 LEU A 29 -2.755 3.186 -8.819 1.00 0.00 C ATOM 0 H LEU A 29 -6.092 5.061 -10.122 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.182 6.210 -11.996 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.665 5.492 -10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.014 5.329 -9.474 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.192 2.900 -10.357 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.079 1.931 -11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.737 3.133 -12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.368 3.560 -11.237 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.531 2.124 -8.720 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.850 3.766 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.516 3.466 -8.091 1.00 0.00 H new ATOM 470 N GLY A 30 -5.272 3.127 -12.320 1.00 0.00 N ATOM 471 CA GLY A 30 -5.406 2.036 -13.270 1.00 0.00 C ATOM 472 C GLY A 30 -5.153 0.687 -12.593 1.00 0.00 C ATOM 473 O GLY A 30 -4.408 -0.142 -13.112 1.00 0.00 O ATOM 0 H GLY A 30 -5.709 2.960 -11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.406 2.048 -13.704 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.701 2.174 -14.090 1.00 0.00 H new ATOM 477 N PHE A 31 -5.789 0.509 -11.445 1.00 0.00 N ATOM 478 CA PHE A 31 -5.643 -0.725 -10.691 1.00 0.00 C ATOM 479 C PHE A 31 -6.453 -1.856 -11.329 1.00 0.00 C ATOM 480 O PHE A 31 -7.394 -1.603 -12.081 1.00 0.00 O ATOM 481 CB PHE A 31 -6.184 -0.457 -9.285 1.00 0.00 C ATOM 482 CG PHE A 31 -5.108 -0.070 -8.269 1.00 0.00 C ATOM 483 CD1 PHE A 31 -3.837 0.179 -8.685 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.422 0.025 -6.949 1.00 0.00 C ATOM 485 CE1 PHE A 31 -2.838 0.538 -7.741 1.00 0.00 C ATOM 486 CE2 PHE A 31 -4.423 0.385 -6.006 1.00 0.00 C ATOM 487 CZ PHE A 31 -3.153 0.634 -6.422 1.00 0.00 C ATOM 0 H PHE A 31 -6.407 1.199 -11.018 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.596 -1.029 -10.673 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.924 0.342 -9.337 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.701 -1.348 -8.930 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.587 0.104 -9.733 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.431 -0.173 -6.618 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.829 0.735 -8.071 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.672 0.461 -4.958 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.394 0.908 -5.704 1.00 0.00 H new ATOM 497 N LYS A 32 -6.059 -3.079 -11.005 1.00 0.00 N ATOM 498 CA LYS A 32 -6.736 -4.248 -11.537 1.00 0.00 C ATOM 499 C LYS A 32 -7.996 -4.523 -10.712 1.00 0.00 C ATOM 500 O LYS A 32 -9.109 -4.442 -11.228 1.00 0.00 O ATOM 501 CB LYS A 32 -5.777 -5.437 -11.608 1.00 0.00 C ATOM 502 CG LYS A 32 -5.356 -5.719 -13.052 1.00 0.00 C ATOM 503 CD LYS A 32 -4.503 -4.577 -13.607 1.00 0.00 C ATOM 504 CE LYS A 32 -3.787 -5.002 -14.890 1.00 0.00 C ATOM 505 NZ LYS A 32 -2.325 -5.065 -14.672 1.00 0.00 N ATOM 0 H LYS A 32 -5.279 -3.285 -10.381 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.059 -4.067 -12.562 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.894 -5.233 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.256 -6.321 -11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.794 -6.652 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.242 -5.852 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.134 -3.711 -13.808 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.769 -4.270 -12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.155 -5.976 -15.213 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.011 -4.296 -15.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.865 -4.281 -15.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.122 -4.989 -13.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.959 -5.970 -15.031 1.00 0.00 H new ATOM 519 N GLN A 33 -7.776 -4.841 -9.445 1.00 0.00 N ATOM 520 CA GLN A 33 -8.880 -5.128 -8.544 1.00 0.00 C ATOM 521 C GLN A 33 -8.665 -4.423 -7.202 1.00 0.00 C ATOM 522 O GLN A 33 -7.729 -4.743 -6.471 1.00 0.00 O ATOM 523 CB GLN A 33 -9.051 -6.636 -8.349 1.00 0.00 C ATOM 524 CG GLN A 33 -10.334 -7.132 -9.018 1.00 0.00 C ATOM 525 CD GLN A 33 -11.563 -6.773 -8.182 1.00 0.00 C ATOM 526 OE1 GLN A 33 -11.580 -6.903 -6.968 1.00 0.00 O ATOM 527 NE2 GLN A 33 -12.587 -6.313 -8.896 1.00 0.00 N ATOM 0 H GLN A 33 -6.851 -4.906 -9.021 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.798 -4.746 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.192 -7.160 -8.768 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.078 -6.868 -7.284 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.424 -6.692 -10.011 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.284 -8.213 -9.152 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.506 -6.229 -9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.454 -6.044 -8.430 1.00 0.00 H new ATOM 536 N ILE A 34 -9.549 -3.477 -6.921 1.00 0.00 N ATOM 537 CA ILE A 34 -9.469 -2.724 -5.681 1.00 0.00 C ATOM 538 C ILE A 34 -10.239 -3.467 -4.587 1.00 0.00 C ATOM 539 O ILE A 34 -11.363 -3.916 -4.810 1.00 0.00 O ATOM 540 CB ILE A 34 -9.942 -1.285 -5.896 1.00 0.00 C ATOM 541 CG1 ILE A 34 -8.753 -0.336 -6.059 1.00 0.00 C ATOM 542 CG2 ILE A 34 -10.879 -0.841 -4.770 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.191 1.122 -5.908 1.00 0.00 C ATOM 0 H ILE A 34 -10.324 -3.215 -7.530 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.434 -2.649 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.513 -1.249 -6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.992 -0.570 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.297 -0.483 -7.038 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.200 0.185 -4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.751 -1.495 -4.743 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.354 -0.897 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.327 1.776 -6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.934 1.359 -6.669 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.624 1.271 -4.919 1.00 0.00 H new ATOM 555 N THR A 35 -9.604 -3.574 -3.428 1.00 0.00 N ATOM 556 CA THR A 35 -10.216 -4.255 -2.301 1.00 0.00 C ATOM 557 C THR A 35 -10.024 -3.442 -1.019 1.00 0.00 C ATOM 558 O THR A 35 -8.900 -3.287 -0.541 1.00 0.00 O ATOM 559 CB THR A 35 -9.625 -5.664 -2.222 1.00 0.00 C ATOM 560 OG1 THR A 35 -10.751 -6.499 -1.966 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.732 -5.856 -0.994 1.00 0.00 C ATOM 0 H THR A 35 -8.672 -3.200 -3.246 1.00 0.00 H new ATOM 0 HA THR A 35 -11.294 -4.347 -2.432 1.00 0.00 H new ATOM 0 HB THR A 35 -9.049 -5.867 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.458 -7.432 -1.901 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.338 -6.872 -0.986 1.00 0.00 H new ATOM 0 HG22 THR A 35 -7.905 -5.147 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.316 -5.686 -0.089 1.00 0.00 H new ATOM 569 N ALA A 36 -11.136 -2.944 -0.499 1.00 0.00 N ATOM 570 CA ALA A 36 -11.103 -2.152 0.718 1.00 0.00 C ATOM 571 C ALA A 36 -11.463 -3.041 1.910 1.00 0.00 C ATOM 572 O ALA A 36 -12.231 -3.991 1.772 1.00 0.00 O ATOM 573 CB ALA A 36 -12.049 -0.958 0.576 1.00 0.00 C ATOM 0 H ALA A 36 -12.066 -3.074 -0.898 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.102 -1.757 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.024 -0.364 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.734 -0.342 -0.266 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.064 -1.316 0.404 1.00 0.00 H new ATOM 579 N ALA A 37 -10.890 -2.700 3.056 1.00 0.00 N ATOM 580 CA ALA A 37 -11.140 -3.455 4.271 1.00 0.00 C ATOM 581 C ALA A 37 -11.378 -2.484 5.430 1.00 0.00 C ATOM 582 O ALA A 37 -11.382 -1.270 5.236 1.00 0.00 O ATOM 583 CB ALA A 37 -9.967 -4.402 4.536 1.00 0.00 C ATOM 0 H ALA A 37 -10.254 -1.911 3.168 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.035 -4.067 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.155 -4.968 5.448 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.858 -5.090 3.698 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.051 -3.823 4.651 1.00 0.00 H new ATOM 589 N GLY A 38 -11.570 -3.057 6.610 1.00 0.00 N ATOM 590 CA GLY A 38 -11.808 -2.257 7.799 1.00 0.00 C ATOM 591 C GLY A 38 -10.619 -1.340 8.090 1.00 0.00 C ATOM 592 O GLY A 38 -10.774 -0.121 8.168 1.00 0.00 O ATOM 0 H GLY A 38 -11.565 -4.065 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.709 -1.658 7.665 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.985 -2.911 8.653 1.00 0.00 H new ATOM 596 N ASP A 39 -9.457 -1.959 8.243 1.00 0.00 N ATOM 597 CA ASP A 39 -8.242 -1.213 8.524 1.00 0.00 C ATOM 598 C ASP A 39 -7.080 -2.191 8.703 1.00 0.00 C ATOM 599 O ASP A 39 -7.289 -3.398 8.809 1.00 0.00 O ATOM 600 CB ASP A 39 -8.380 -0.401 9.814 1.00 0.00 C ATOM 601 CG ASP A 39 -9.469 -0.889 10.772 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.141 -1.758 11.609 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.605 -0.381 10.645 1.00 0.00 O ATOM 0 H ASP A 39 -9.331 -2.969 8.178 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.061 -0.536 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.424 -0.414 10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.586 0.637 9.552 1.00 0.00 H new ATOM 608 N GLY A 40 -5.878 -1.633 8.730 1.00 0.00 N ATOM 609 CA GLY A 40 -4.681 -2.440 8.894 1.00 0.00 C ATOM 610 C GLY A 40 -4.960 -3.907 8.560 1.00 0.00 C ATOM 611 O GLY A 40 -5.215 -4.248 7.407 1.00 0.00 O ATOM 0 H GLY A 40 -5.708 -0.631 8.641 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.890 -2.060 8.247 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.321 -2.359 9.920 1.00 0.00 H new ATOM 615 N GLU A 41 -4.901 -4.736 9.593 1.00 0.00 N ATOM 616 CA GLU A 41 -5.144 -6.159 9.424 1.00 0.00 C ATOM 617 C GLU A 41 -6.465 -6.388 8.688 1.00 0.00 C ATOM 618 O GLU A 41 -6.507 -7.102 7.687 1.00 0.00 O ATOM 619 CB GLU A 41 -5.135 -6.880 10.773 1.00 0.00 C ATOM 620 CG GLU A 41 -6.445 -6.648 11.527 1.00 0.00 C ATOM 621 CD GLU A 41 -6.434 -7.364 12.879 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.334 -7.800 13.281 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.525 -7.458 13.481 1.00 0.00 O ATOM 0 H GLU A 41 -4.689 -4.450 10.549 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.338 -6.577 8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.985 -7.948 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.298 -6.525 11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.597 -5.579 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.282 -7.007 10.928 1.00 0.00 H new ATOM 630 N GLN A 42 -7.513 -5.769 9.212 1.00 0.00 N ATOM 631 CA GLN A 42 -8.833 -5.897 8.617 1.00 0.00 C ATOM 632 C GLN A 42 -8.727 -5.925 7.092 1.00 0.00 C ATOM 633 O GLN A 42 -9.560 -6.531 6.419 1.00 0.00 O ATOM 634 CB GLN A 42 -9.755 -4.769 9.083 1.00 0.00 C ATOM 635 CG GLN A 42 -10.825 -5.295 10.041 1.00 0.00 C ATOM 636 CD GLN A 42 -12.101 -5.673 9.285 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.079 -6.034 8.120 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.211 -5.568 10.011 1.00 0.00 N ATOM 0 H GLN A 42 -7.475 -5.177 10.042 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.270 -6.839 8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.168 -3.996 9.578 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.232 -4.304 8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.444 -6.165 10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.053 -4.536 10.789 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.158 -5.259 10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.115 -5.796 9.597 1.00 0.00 H new ATOM 647 N GLY A 43 -7.695 -5.262 6.590 1.00 0.00 N ATOM 648 CA GLY A 43 -7.470 -5.204 5.156 1.00 0.00 C ATOM 649 C GLY A 43 -6.258 -6.049 4.756 1.00 0.00 C ATOM 650 O GLY A 43 -6.317 -6.807 3.790 1.00 0.00 O ATOM 0 H GLY A 43 -7.006 -4.761 7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.356 -5.561 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.313 -4.169 4.850 1.00 0.00 H new ATOM 654 N MET A 44 -5.188 -5.889 5.520 1.00 0.00 N ATOM 655 CA MET A 44 -3.964 -6.628 5.258 1.00 0.00 C ATOM 656 C MET A 44 -4.230 -8.133 5.218 1.00 0.00 C ATOM 657 O MET A 44 -3.830 -8.813 4.274 1.00 0.00 O ATOM 658 CB MET A 44 -2.938 -6.319 6.351 1.00 0.00 C ATOM 659 CG MET A 44 -2.111 -7.561 6.693 1.00 0.00 C ATOM 660 SD MET A 44 -1.279 -8.161 5.233 1.00 0.00 S ATOM 661 CE MET A 44 -0.670 -9.724 5.843 1.00 0.00 C ATOM 0 H MET A 44 -5.143 -5.259 6.321 1.00 0.00 H new ATOM 0 HA MET A 44 -3.577 -6.321 4.286 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.278 -5.518 6.019 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.450 -5.961 7.244 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.380 -7.320 7.465 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.758 -8.339 7.098 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.295 -10.318 5.010 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.136 -9.547 6.555 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.479 -10.262 6.337 1.00 0.00 H new ATOM 671 N LYS A 45 -4.905 -8.611 6.255 1.00 0.00 N ATOM 672 CA LYS A 45 -5.230 -10.023 6.349 1.00 0.00 C ATOM 673 C LYS A 45 -6.008 -10.448 5.102 1.00 0.00 C ATOM 674 O LYS A 45 -5.819 -11.552 4.593 1.00 0.00 O ATOM 675 CB LYS A 45 -5.960 -10.319 7.660 1.00 0.00 C ATOM 676 CG LYS A 45 -5.331 -9.549 8.824 1.00 0.00 C ATOM 677 CD LYS A 45 -4.988 -10.488 9.982 1.00 0.00 C ATOM 678 CE LYS A 45 -6.255 -10.980 10.683 1.00 0.00 C ATOM 679 NZ LYS A 45 -5.909 -11.741 11.905 1.00 0.00 N ATOM 0 H LYS A 45 -5.235 -8.044 7.036 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.320 -10.622 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.011 -10.046 7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.926 -11.389 7.866 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.429 -9.042 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.020 -8.778 9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.421 -11.340 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.350 -9.970 10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.887 -10.131 10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.831 -11.610 10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.781 -12.068 12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.324 -12.562 11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.379 -11.128 12.557 1.00 0.00 H new ATOM 693 N ILE A 46 -6.869 -9.550 4.647 1.00 0.00 N ATOM 694 CA ILE A 46 -7.678 -9.818 3.470 1.00 0.00 C ATOM 695 C ILE A 46 -6.760 -10.099 2.279 1.00 0.00 C ATOM 696 O ILE A 46 -7.001 -11.027 1.509 1.00 0.00 O ATOM 697 CB ILE A 46 -8.667 -8.676 3.228 1.00 0.00 C ATOM 698 CG1 ILE A 46 -10.012 -8.965 3.897 1.00 0.00 C ATOM 699 CG2 ILE A 46 -8.819 -8.390 1.733 1.00 0.00 C ATOM 700 CD1 ILE A 46 -9.815 -9.615 5.267 1.00 0.00 C ATOM 0 H ILE A 46 -7.024 -8.636 5.072 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.287 -10.709 3.621 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.266 -7.773 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.574 -8.037 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.605 -9.622 3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.527 -7.574 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -7.852 -8.109 1.316 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.186 -9.283 1.227 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -10.787 -9.810 5.720 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.275 -10.554 5.150 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.243 -8.945 5.909 1.00 0.00 H new ATOM 712 N MET A 47 -5.724 -9.279 2.164 1.00 0.00 N ATOM 713 CA MET A 47 -4.769 -9.428 1.081 1.00 0.00 C ATOM 714 C MET A 47 -3.965 -10.721 1.231 1.00 0.00 C ATOM 715 O MET A 47 -3.584 -11.339 0.238 1.00 0.00 O ATOM 716 CB MET A 47 -3.814 -8.232 1.073 1.00 0.00 C ATOM 717 CG MET A 47 -4.502 -6.986 0.511 1.00 0.00 C ATOM 718 SD MET A 47 -4.539 -7.062 -1.272 1.00 0.00 S ATOM 719 CE MET A 47 -6.122 -7.849 -1.516 1.00 0.00 C ATOM 0 H MET A 47 -5.526 -8.510 2.804 1.00 0.00 H new ATOM 0 HA MET A 47 -5.320 -9.472 0.141 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.465 -8.034 2.086 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.935 -8.468 0.474 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.517 -6.914 0.901 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.971 -6.090 0.834 1.00 0.00 H new ATOM 0 HE1 MET A 47 -5.971 -8.869 -1.869 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.668 -7.868 -0.573 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.696 -7.291 -2.256 1.00 0.00 H new ATOM 729 N ALA A 48 -3.732 -11.094 2.482 1.00 0.00 N ATOM 730 CA ALA A 48 -2.981 -12.302 2.775 1.00 0.00 C ATOM 731 C ALA A 48 -3.739 -13.514 2.230 1.00 0.00 C ATOM 732 O ALA A 48 -3.155 -14.369 1.566 1.00 0.00 O ATOM 733 CB ALA A 48 -2.736 -12.398 4.282 1.00 0.00 C ATOM 0 H ALA A 48 -4.051 -10.580 3.303 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.007 -12.276 2.287 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.172 -13.305 4.502 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.169 -11.529 4.615 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.692 -12.429 4.805 1.00 0.00 H new ATOM 739 N GLN A 49 -5.029 -13.548 2.530 1.00 0.00 N ATOM 740 CA GLN A 49 -5.873 -14.641 2.077 1.00 0.00 C ATOM 741 C GLN A 49 -5.945 -14.660 0.549 1.00 0.00 C ATOM 742 O GLN A 49 -5.488 -15.610 -0.085 1.00 0.00 O ATOM 743 CB GLN A 49 -7.273 -14.542 2.691 1.00 0.00 C ATOM 744 CG GLN A 49 -7.194 -14.336 4.205 1.00 0.00 C ATOM 745 CD GLN A 49 -7.548 -15.624 4.952 1.00 0.00 C ATOM 746 OE1 GLN A 49 -7.134 -16.714 4.594 1.00 0.00 O ATOM 747 NE2 GLN A 49 -8.335 -15.437 6.008 1.00 0.00 N ATOM 0 H GLN A 49 -5.510 -12.837 3.081 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.430 -15.579 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.816 -13.714 2.236 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.835 -15.450 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.189 -14.016 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.875 -13.539 4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.646 -14.497 6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.628 -16.234 6.573 1.00 0.00 H new ATOM 756 N ASN A 50 -6.521 -13.600 0.003 1.00 0.00 N ATOM 757 CA ASN A 50 -6.658 -13.483 -1.439 1.00 0.00 C ATOM 758 C ASN A 50 -5.331 -13.008 -2.036 1.00 0.00 C ATOM 759 O ASN A 50 -4.341 -12.863 -1.320 1.00 0.00 O ATOM 760 CB ASN A 50 -7.735 -12.461 -1.809 1.00 0.00 C ATOM 761 CG ASN A 50 -8.656 -12.181 -0.620 1.00 0.00 C ATOM 762 OD1 ASN A 50 -8.938 -13.042 0.196 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.107 -10.931 -0.570 1.00 0.00 N ATOM 0 H ASN A 50 -6.898 -12.814 0.533 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.938 -14.461 -1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.265 -11.534 -2.136 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.322 -12.834 -2.649 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.729 -10.643 0.185 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.831 -10.260 -1.287 1.00 0.00 H new ATOM 770 N PRO A 51 -5.354 -12.774 -3.375 1.00 0.00 N ATOM 771 CA PRO A 51 -4.166 -12.318 -4.076 1.00 0.00 C ATOM 772 C PRO A 51 -3.891 -10.841 -3.787 1.00 0.00 C ATOM 773 O PRO A 51 -4.819 -10.039 -3.695 1.00 0.00 O ATOM 774 CB PRO A 51 -4.446 -12.594 -5.545 1.00 0.00 C ATOM 775 CG PRO A 51 -5.951 -12.760 -5.658 1.00 0.00 C ATOM 776 CD PRO A 51 -6.509 -12.933 -4.255 1.00 0.00 C ATOM 0 HA PRO A 51 -3.262 -12.835 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.096 -11.773 -6.170 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.928 -13.493 -5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.396 -11.890 -6.141 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.194 -13.625 -6.275 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.276 -12.190 -4.040 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -6.970 -13.913 -4.130 1.00 0.00 H new ATOM 784 N HIS A 52 -2.611 -10.525 -3.652 1.00 0.00 N ATOM 785 CA HIS A 52 -2.203 -9.159 -3.375 1.00 0.00 C ATOM 786 C HIS A 52 -0.997 -8.797 -4.246 1.00 0.00 C ATOM 787 O HIS A 52 -0.146 -9.643 -4.516 1.00 0.00 O ATOM 788 CB HIS A 52 -1.934 -8.963 -1.882 1.00 0.00 C ATOM 789 CG HIS A 52 -1.088 -10.049 -1.263 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.027 -10.265 0.103 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.271 -10.978 -1.836 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.206 -11.280 0.330 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.263 -11.720 -0.873 1.00 0.00 N ATOM 0 H HIS A 52 -1.843 -11.192 -3.729 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.013 -8.476 -3.632 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.439 -8.003 -1.735 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.887 -8.914 -1.355 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.529 -9.733 0.814 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.089 -11.091 -2.894 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.047 -11.687 1.298 1.00 0.00 H new ATOM 802 N HIS A 53 -0.963 -7.539 -4.660 1.00 0.00 N ATOM 803 CA HIS A 53 0.124 -7.055 -5.495 1.00 0.00 C ATOM 804 C HIS A 53 0.570 -5.677 -5.007 1.00 0.00 C ATOM 805 O HIS A 53 1.758 -5.447 -4.784 1.00 0.00 O ATOM 806 CB HIS A 53 -0.280 -7.060 -6.970 1.00 0.00 C ATOM 807 CG HIS A 53 0.884 -7.165 -7.926 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.908 -6.524 -9.152 1.00 0.00 N ATOM 809 CD2 HIS A 53 2.064 -7.842 -7.823 1.00 0.00 C ATOM 810 CE1 HIS A 53 2.054 -6.810 -9.751 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.769 -7.627 -8.926 1.00 0.00 N ATOM 0 H HIS A 53 -1.670 -6.840 -4.433 1.00 0.00 H new ATOM 0 HA HIS A 53 0.979 -7.726 -5.411 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.959 -7.894 -7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.834 -6.147 -7.187 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.372 -8.450 -6.985 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.367 -6.458 -10.723 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.693 -8.010 -9.124 1.00 0.00 H new ATOM 820 N LEU A 54 -0.406 -4.793 -4.855 1.00 0.00 N ATOM 821 CA LEU A 54 -0.128 -3.442 -4.397 1.00 0.00 C ATOM 822 C LEU A 54 -1.046 -3.108 -3.220 1.00 0.00 C ATOM 823 O LEU A 54 -2.255 -2.962 -3.392 1.00 0.00 O ATOM 824 CB LEU A 54 -0.232 -2.451 -5.558 1.00 0.00 C ATOM 825 CG LEU A 54 0.239 -2.962 -6.921 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.549 -3.741 -6.791 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.853 -3.788 -7.605 1.00 0.00 C ATOM 0 H LEU A 54 -1.390 -4.986 -5.041 1.00 0.00 H new ATOM 0 HA LEU A 54 0.897 -3.366 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.272 -2.137 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.348 -1.563 -5.305 1.00 0.00 H new ATOM 0 HG LEU A 54 0.438 -2.100 -7.558 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.862 -4.093 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.319 -3.091 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.400 -4.595 -6.130 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.492 -4.139 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.107 -4.644 -6.980 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.739 -3.170 -7.751 1.00 0.00 H new ATOM 839 N VAL A 55 -0.437 -2.997 -2.048 1.00 0.00 N ATOM 840 CA VAL A 55 -1.184 -2.684 -0.843 1.00 0.00 C ATOM 841 C VAL A 55 -1.125 -1.175 -0.589 1.00 0.00 C ATOM 842 O VAL A 55 -0.058 -0.571 -0.669 1.00 0.00 O ATOM 843 CB VAL A 55 -0.655 -3.509 0.332 1.00 0.00 C ATOM 844 CG1 VAL A 55 -1.005 -2.850 1.667 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.178 -4.945 0.273 1.00 0.00 C ATOM 0 H VAL A 55 0.566 -3.119 -1.908 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.233 -2.953 -0.964 1.00 0.00 H new ATOM 0 HB VAL A 55 0.432 -3.546 0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.617 -3.457 2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.560 -1.856 1.710 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.088 -2.767 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.787 -5.510 1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.267 -4.937 0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.853 -5.413 -0.656 1.00 0.00 H new ATOM 855 N ILE A 56 -2.286 -0.613 -0.288 1.00 0.00 N ATOM 856 CA ILE A 56 -2.380 0.813 -0.023 1.00 0.00 C ATOM 857 C ILE A 56 -3.254 1.041 1.213 1.00 0.00 C ATOM 858 O ILE A 56 -4.422 0.655 1.230 1.00 0.00 O ATOM 859 CB ILE A 56 -2.866 1.559 -1.266 1.00 0.00 C ATOM 860 CG1 ILE A 56 -3.932 0.751 -2.009 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.692 1.932 -2.175 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.318 -0.474 -2.688 1.00 0.00 C ATOM 0 H ILE A 56 -3.169 -1.119 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.396 1.224 0.201 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.334 2.490 -0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.706 0.434 -1.310 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.416 1.381 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.065 2.462 -3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.000 2.574 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.174 1.026 -2.491 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.097 -1.030 -3.209 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.562 -0.152 -3.404 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.856 -1.114 -1.936 1.00 0.00 H new ATOM 874 N SER A 57 -2.655 1.666 2.216 1.00 0.00 N ATOM 875 CA SER A 57 -3.365 1.950 3.451 1.00 0.00 C ATOM 876 C SER A 57 -2.952 3.322 3.988 1.00 0.00 C ATOM 877 O SER A 57 -2.197 4.045 3.340 1.00 0.00 O ATOM 878 CB SER A 57 -3.101 0.867 4.499 1.00 0.00 C ATOM 879 OG SER A 57 -3.314 1.344 5.824 1.00 0.00 O ATOM 0 H SER A 57 -1.686 1.984 2.198 1.00 0.00 H new ATOM 0 HA SER A 57 -4.434 1.958 3.238 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.753 0.014 4.311 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.075 0.511 4.402 1.00 0.00 H new ATOM 0 HG SER A 57 -3.137 0.623 6.464 1.00 0.00 H new ATOM 885 N ASP A 58 -3.465 3.638 5.168 1.00 0.00 N ATOM 886 CA ASP A 58 -3.159 4.910 5.801 1.00 0.00 C ATOM 887 C ASP A 58 -1.885 4.766 6.635 1.00 0.00 C ATOM 888 O ASP A 58 -1.449 3.652 6.923 1.00 0.00 O ATOM 889 CB ASP A 58 -4.288 5.347 6.734 1.00 0.00 C ATOM 890 CG ASP A 58 -4.731 4.292 7.751 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.316 3.126 7.577 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.475 4.676 8.680 1.00 0.00 O ATOM 0 H ASP A 58 -4.091 3.035 5.702 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.032 5.655 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.969 6.239 7.274 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.149 5.632 6.129 1.00 0.00 H new ATOM 897 N PHE A 59 -1.322 5.909 7.000 1.00 0.00 N ATOM 898 CA PHE A 59 -0.106 5.924 7.796 1.00 0.00 C ATOM 899 C PHE A 59 -0.420 5.719 9.279 1.00 0.00 C ATOM 900 O PHE A 59 0.478 5.448 10.076 1.00 0.00 O ATOM 901 CB PHE A 59 0.534 7.300 7.607 1.00 0.00 C ATOM 902 CG PHE A 59 1.921 7.258 6.959 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.769 6.231 7.236 1.00 0.00 C ATOM 904 CD2 PHE A 59 2.303 8.246 6.108 1.00 0.00 C ATOM 905 CE1 PHE A 59 4.054 6.192 6.634 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.589 8.207 5.506 1.00 0.00 C ATOM 907 CZ PHE A 59 4.437 7.181 5.782 1.00 0.00 C ATOM 0 H PHE A 59 -1.685 6.831 6.759 1.00 0.00 H new ATOM 0 HA PHE A 59 0.558 5.120 7.478 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.124 7.914 6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.612 7.789 8.578 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.465 5.446 7.913 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.629 9.061 5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.728 5.377 6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.893 8.992 4.829 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.415 7.151 5.325 1.00 0.00 H new ATOM 917 N ASN A 60 -1.696 5.857 9.606 1.00 0.00 N ATOM 918 CA ASN A 60 -2.139 5.691 10.980 1.00 0.00 C ATOM 919 C ASN A 60 -1.485 4.442 11.575 1.00 0.00 C ATOM 920 O ASN A 60 -0.770 3.721 10.881 1.00 0.00 O ATOM 921 CB ASN A 60 -3.656 5.510 11.052 1.00 0.00 C ATOM 922 CG ASN A 60 -4.377 6.846 10.866 1.00 0.00 C ATOM 923 OD1 ASN A 60 -4.220 7.778 11.637 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.175 6.887 9.802 1.00 0.00 N ATOM 0 H ASN A 60 -2.438 6.082 8.943 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.856 6.585 11.535 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.979 4.808 10.283 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.929 5.076 12.014 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.701 7.735 9.591 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.261 6.070 9.197 1.00 0.00 H new ATOM 931 N MET A 61 -1.754 4.224 12.854 1.00 0.00 N ATOM 932 CA MET A 61 -1.201 3.075 13.550 1.00 0.00 C ATOM 933 C MET A 61 -2.282 2.029 13.827 1.00 0.00 C ATOM 934 O MET A 61 -2.642 1.794 14.980 1.00 0.00 O ATOM 935 CB MET A 61 -0.578 3.529 14.871 1.00 0.00 C ATOM 936 CG MET A 61 -1.658 3.951 15.869 1.00 0.00 C ATOM 937 SD MET A 61 -1.119 5.387 16.782 1.00 0.00 S ATOM 938 CE MET A 61 -0.420 4.596 18.221 1.00 0.00 C ATOM 0 H MET A 61 -2.348 4.824 13.426 1.00 0.00 H new ATOM 0 HA MET A 61 -0.439 2.622 12.916 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.017 2.720 15.294 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.101 4.362 14.690 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.586 4.173 15.341 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.870 3.132 16.556 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.034 5.355 18.902 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.190 4.014 18.726 1.00 0.00 H new ATOM 0 HE3 MET A 61 0.392 3.936 17.915 1.00 0.00 H new ATOM 948 N PRO A 62 -2.783 1.413 12.723 1.00 0.00 N ATOM 949 CA PRO A 62 -3.816 0.398 12.836 1.00 0.00 C ATOM 950 C PRO A 62 -3.235 -0.921 13.350 1.00 0.00 C ATOM 951 O PRO A 62 -2.164 -0.937 13.954 1.00 0.00 O ATOM 952 CB PRO A 62 -4.409 0.283 11.441 1.00 0.00 C ATOM 953 CG PRO A 62 -3.382 0.892 10.500 1.00 0.00 C ATOM 954 CD PRO A 62 -2.381 1.666 11.343 1.00 0.00 C ATOM 0 HA PRO A 62 -4.586 0.661 13.561 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.605 -0.758 11.184 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.360 0.812 11.376 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.878 0.113 9.928 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.867 1.552 9.781 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.362 1.326 11.159 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.408 2.731 11.112 1.00 0.00 H new ATOM 962 N LYS A 63 -3.969 -1.994 13.092 1.00 0.00 N ATOM 963 CA LYS A 63 -3.540 -3.314 13.521 1.00 0.00 C ATOM 964 C LYS A 63 -2.210 -3.658 12.847 1.00 0.00 C ATOM 965 O LYS A 63 -1.384 -4.365 13.421 1.00 0.00 O ATOM 966 CB LYS A 63 -4.642 -4.344 13.269 1.00 0.00 C ATOM 967 CG LYS A 63 -5.612 -4.410 14.450 1.00 0.00 C ATOM 968 CD LYS A 63 -5.332 -5.635 15.323 1.00 0.00 C ATOM 969 CE LYS A 63 -3.858 -6.036 15.247 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.422 -6.655 16.520 1.00 0.00 N ATOM 0 H LYS A 63 -4.858 -1.976 12.591 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.365 -3.326 14.597 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.186 -4.085 12.361 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.197 -5.325 13.104 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.523 -3.504 15.049 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.637 -4.449 14.081 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.601 -5.418 16.357 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.956 -6.468 14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.707 -6.736 14.425 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.247 -5.159 15.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.419 -6.921 16.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.547 -5.975 17.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.993 -7.504 16.707 1.00 0.00 H new ATOM 984 N MET A 64 -2.046 -3.141 11.638 1.00 0.00 N ATOM 985 CA MET A 64 -0.830 -3.385 10.880 1.00 0.00 C ATOM 986 C MET A 64 -0.514 -2.206 9.957 1.00 0.00 C ATOM 987 O MET A 64 -1.327 -1.840 9.109 1.00 0.00 O ATOM 988 CB MET A 64 -0.996 -4.657 10.044 1.00 0.00 C ATOM 989 CG MET A 64 -1.830 -5.698 10.791 1.00 0.00 C ATOM 990 SD MET A 64 -1.688 -7.285 9.987 1.00 0.00 S ATOM 991 CE MET A 64 -1.125 -8.279 11.360 1.00 0.00 C ATOM 0 H MET A 64 -2.734 -2.555 11.165 1.00 0.00 H new ATOM 0 HA MET A 64 -0.005 -3.505 11.582 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.476 -4.413 9.096 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.016 -5.072 9.808 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.492 -5.773 11.825 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.874 -5.387 10.819 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.984 -9.308 11.030 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.179 -7.884 11.731 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.867 -8.252 12.158 1.00 0.00 H new ATOM 1001 N ASP A 65 0.669 -1.643 10.155 1.00 0.00 N ATOM 1002 CA ASP A 65 1.103 -0.512 9.352 1.00 0.00 C ATOM 1003 C ASP A 65 2.440 -0.847 8.688 1.00 0.00 C ATOM 1004 O ASP A 65 3.044 -1.876 8.986 1.00 0.00 O ATOM 1005 CB ASP A 65 1.303 0.734 10.217 1.00 0.00 C ATOM 1006 CG ASP A 65 1.335 2.056 9.449 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.548 2.173 8.485 1.00 0.00 O ATOM 1008 OD2 ASP A 65 2.147 2.922 9.842 1.00 0.00 O ATOM 0 H ASP A 65 1.340 -1.949 10.860 1.00 0.00 H new ATOM 0 HA ASP A 65 0.333 -0.313 8.606 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.501 0.779 10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.237 0.629 10.768 1.00 0.00 H new ATOM 1013 N GLY A 66 2.863 0.042 7.801 1.00 0.00 N ATOM 1014 CA GLY A 66 4.118 -0.146 7.092 1.00 0.00 C ATOM 1015 C GLY A 66 5.084 -1.007 7.909 1.00 0.00 C ATOM 1016 O GLY A 66 5.813 -1.826 7.352 1.00 0.00 O ATOM 0 H GLY A 66 2.359 0.895 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.929 -0.620 6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.573 0.823 6.887 1.00 0.00 H new ATOM 1020 N LEU A 67 5.058 -0.791 9.216 1.00 0.00 N ATOM 1021 CA LEU A 67 5.924 -1.537 10.114 1.00 0.00 C ATOM 1022 C LEU A 67 5.414 -2.975 10.229 1.00 0.00 C ATOM 1023 O LEU A 67 6.098 -3.914 9.825 1.00 0.00 O ATOM 1024 CB LEU A 67 6.046 -0.818 11.460 1.00 0.00 C ATOM 1025 CG LEU A 67 6.601 0.607 11.411 1.00 0.00 C ATOM 1026 CD1 LEU A 67 8.022 0.623 10.845 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.663 1.534 10.633 1.00 0.00 C ATOM 0 H LEU A 67 4.452 -0.111 9.674 1.00 0.00 H new ATOM 0 HA LEU A 67 6.936 -1.588 9.713 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.060 -0.787 11.924 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.686 -1.414 12.111 1.00 0.00 H new ATOM 0 HG LEU A 67 6.657 0.987 12.431 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.393 1.648 10.821 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.672 0.017 11.476 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.016 0.216 9.834 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.081 2.541 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.552 1.167 9.613 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.687 1.555 11.119 1.00 0.00 H new ATOM 1039 N GLY A 68 4.217 -3.102 10.783 1.00 0.00 N ATOM 1040 CA GLY A 68 3.608 -4.410 10.956 1.00 0.00 C ATOM 1041 C GLY A 68 3.389 -5.096 9.607 1.00 0.00 C ATOM 1042 O GLY A 68 3.585 -6.304 9.482 1.00 0.00 O ATOM 0 H GLY A 68 3.653 -2.321 11.118 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.246 -5.032 11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.655 -4.305 11.474 1.00 0.00 H new ATOM 1046 N LEU A 69 2.986 -4.296 8.630 1.00 0.00 N ATOM 1047 CA LEU A 69 2.739 -4.811 7.295 1.00 0.00 C ATOM 1048 C LEU A 69 4.002 -5.504 6.777 1.00 0.00 C ATOM 1049 O LEU A 69 3.938 -6.624 6.274 1.00 0.00 O ATOM 1050 CB LEU A 69 2.228 -3.699 6.377 1.00 0.00 C ATOM 1051 CG LEU A 69 0.780 -3.833 5.902 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.186 -3.857 7.087 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.428 -2.734 4.898 1.00 0.00 C ATOM 0 H LEU A 69 2.825 -3.295 8.737 1.00 0.00 H new ATOM 0 HA LEU A 69 1.949 -5.562 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.331 -2.748 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.874 -3.653 5.500 1.00 0.00 H new ATOM 0 HG LEU A 69 0.678 -4.787 5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.208 -3.953 6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.050 -4.704 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.089 -2.931 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.607 -2.853 4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.552 -1.758 5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.087 -2.807 4.033 1.00 0.00 H new ATOM 1065 N LEU A 70 5.120 -4.806 6.919 1.00 0.00 N ATOM 1066 CA LEU A 70 6.395 -5.340 6.472 1.00 0.00 C ATOM 1067 C LEU A 70 6.655 -6.678 7.167 1.00 0.00 C ATOM 1068 O LEU A 70 6.620 -7.730 6.529 1.00 0.00 O ATOM 1069 CB LEU A 70 7.509 -4.312 6.682 1.00 0.00 C ATOM 1070 CG LEU A 70 8.888 -4.697 6.143 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.951 -3.690 6.586 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.253 -6.128 6.541 1.00 0.00 C ATOM 0 H LEU A 70 5.169 -3.877 7.337 1.00 0.00 H new ATOM 0 HA LEU A 70 6.371 -5.536 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.206 -3.376 6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.600 -4.118 7.751 1.00 0.00 H new ATOM 0 HG LEU A 70 8.849 -4.666 5.054 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.922 -3.987 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.693 -2.700 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.997 -3.664 7.675 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.238 -6.376 6.145 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.267 -6.211 7.628 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.514 -6.818 6.134 1.00 0.00 H new ATOM 1084 N GLN A 71 6.910 -6.595 8.465 1.00 0.00 N ATOM 1085 CA GLN A 71 7.175 -7.787 9.252 1.00 0.00 C ATOM 1086 C GLN A 71 6.189 -8.897 8.885 1.00 0.00 C ATOM 1087 O GLN A 71 6.528 -10.078 8.942 1.00 0.00 O ATOM 1088 CB GLN A 71 7.120 -7.478 10.750 1.00 0.00 C ATOM 1089 CG GLN A 71 8.024 -6.295 11.100 1.00 0.00 C ATOM 1090 CD GLN A 71 8.652 -6.475 12.483 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.307 -7.464 12.772 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.419 -5.468 13.320 1.00 0.00 N ATOM 0 H GLN A 71 6.939 -5.721 8.991 1.00 0.00 H new ATOM 0 HA GLN A 71 8.183 -8.133 9.022 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.094 -7.254 11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.428 -8.356 11.317 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.809 -6.198 10.350 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.446 -5.371 11.077 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.863 -4.669 13.015 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.797 -5.494 14.267 1.00 0.00 H new ATOM 1101 N ALA A 72 4.988 -8.479 8.515 1.00 0.00 N ATOM 1102 CA ALA A 72 3.949 -9.423 8.137 1.00 0.00 C ATOM 1103 C ALA A 72 4.373 -10.158 6.864 1.00 0.00 C ATOM 1104 O ALA A 72 4.317 -11.385 6.804 1.00 0.00 O ATOM 1105 CB ALA A 72 2.622 -8.682 7.969 1.00 0.00 C ATOM 0 H ALA A 72 4.710 -7.499 8.469 1.00 0.00 H new ATOM 0 HA ALA A 72 3.807 -10.171 8.917 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.843 -9.390 7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.351 -8.202 8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.724 -7.925 7.192 1.00 0.00 H new ATOM 1111 N VAL A 73 4.786 -9.376 5.877 1.00 0.00 N ATOM 1112 CA VAL A 73 5.218 -9.937 4.609 1.00 0.00 C ATOM 1113 C VAL A 73 6.397 -10.882 4.849 1.00 0.00 C ATOM 1114 O VAL A 73 6.382 -12.026 4.399 1.00 0.00 O ATOM 1115 CB VAL A 73 5.546 -8.812 3.624 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.680 -7.579 3.893 1.00 0.00 C ATOM 1117 CG2 VAL A 73 7.034 -8.459 3.670 1.00 0.00 C ATOM 0 H VAL A 73 4.830 -8.358 5.930 1.00 0.00 H new ATOM 0 HA VAL A 73 4.417 -10.524 4.159 1.00 0.00 H new ATOM 0 HB VAL A 73 5.318 -9.169 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.933 -6.794 3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.628 -7.843 3.785 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.862 -7.221 4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.240 -7.657 2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.299 -8.131 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.624 -9.337 3.407 1.00 0.00 H new ATOM 1127 N ARG A 74 7.392 -10.368 5.559 1.00 0.00 N ATOM 1128 CA ARG A 74 8.576 -11.152 5.864 1.00 0.00 C ATOM 1129 C ARG A 74 8.192 -12.605 6.149 1.00 0.00 C ATOM 1130 O ARG A 74 8.972 -13.519 5.889 1.00 0.00 O ATOM 1131 CB ARG A 74 9.316 -10.581 7.076 1.00 0.00 C ATOM 1132 CG ARG A 74 9.704 -9.120 6.844 1.00 0.00 C ATOM 1133 CD ARG A 74 10.046 -8.870 5.374 1.00 0.00 C ATOM 1134 NE ARG A 74 11.190 -9.718 4.970 1.00 0.00 N ATOM 1135 CZ ARG A 74 11.926 -9.513 3.869 1.00 0.00 C ATOM 1136 NH1 ARG A 74 11.642 -8.486 3.055 1.00 0.00 N ATOM 1137 NH2 ARG A 74 12.945 -10.333 3.582 1.00 0.00 N ATOM 0 H ARG A 74 7.402 -9.418 5.931 1.00 0.00 H new ATOM 0 HA ARG A 74 9.234 -11.110 4.996 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.684 -10.657 7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.211 -11.172 7.272 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.883 -8.470 7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.560 -8.864 7.469 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.181 -9.090 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.290 -7.819 5.222 1.00 0.00 H new ATOM 0 HE ARG A 74 11.433 -10.508 5.567 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.866 -7.861 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.202 -8.330 2.217 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.161 -11.114 4.201 1.00 0.00 H new ATOM 0 HH22 ARG A 74 13.505 -10.177 2.744 1.00 0.00 H new ATOM 1151 N ALA A 75 6.988 -12.773 6.677 1.00 0.00 N ATOM 1152 CA ALA A 75 6.491 -14.100 7.000 1.00 0.00 C ATOM 1153 C ALA A 75 5.895 -14.735 5.742 1.00 0.00 C ATOM 1154 O ALA A 75 6.252 -15.856 5.379 1.00 0.00 O ATOM 1155 CB ALA A 75 5.476 -14.002 8.141 1.00 0.00 C ATOM 0 H ALA A 75 6.342 -12.012 6.889 1.00 0.00 H new ATOM 0 HA ALA A 75 7.303 -14.742 7.341 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.103 -14.997 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.956 -13.571 9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.644 -13.368 7.835 1.00 0.00 H new ATOM 1161 N ASN A 76 4.999 -13.993 5.110 1.00 0.00 N ATOM 1162 CA ASN A 76 4.350 -14.470 3.901 1.00 0.00 C ATOM 1163 C ASN A 76 5.061 -13.884 2.680 1.00 0.00 C ATOM 1164 O ASN A 76 5.180 -12.666 2.551 1.00 0.00 O ATOM 1165 CB ASN A 76 2.885 -14.030 3.850 1.00 0.00 C ATOM 1166 CG ASN A 76 1.948 -15.239 3.851 1.00 0.00 C ATOM 1167 OD1 ASN A 76 1.944 -16.054 4.759 1.00 0.00 O ATOM 1168 ND2 ASN A 76 1.158 -15.311 2.784 1.00 0.00 N ATOM 0 H ASN A 76 4.707 -13.064 5.413 1.00 0.00 H new ATOM 0 HA ASN A 76 4.400 -15.559 3.900 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.663 -13.393 4.706 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.712 -13.432 2.955 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.498 -16.083 2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 76 1.212 -14.595 2.060 1.00 0.00 H new ATOM 1175 N PRO A 77 5.529 -14.801 1.791 1.00 0.00 N ATOM 1176 CA PRO A 77 6.226 -14.386 0.586 1.00 0.00 C ATOM 1177 C PRO A 77 5.247 -13.831 -0.450 1.00 0.00 C ATOM 1178 O PRO A 77 5.660 -13.215 -1.431 1.00 0.00 O ATOM 1179 CB PRO A 77 6.956 -15.631 0.107 1.00 0.00 C ATOM 1180 CG PRO A 77 6.274 -16.805 0.792 1.00 0.00 C ATOM 1181 CD PRO A 77 5.407 -16.251 1.911 1.00 0.00 C ATOM 0 HA PRO A 77 6.928 -13.572 0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.898 -15.724 -0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.014 -15.588 0.367 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.667 -17.363 0.079 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.015 -17.498 1.190 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.371 -16.571 1.805 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.749 -16.598 2.886 1.00 0.00 H new ATOM 1189 N ALA A 78 3.969 -14.070 -0.196 1.00 0.00 N ATOM 1190 CA ALA A 78 2.927 -13.601 -1.095 1.00 0.00 C ATOM 1191 C ALA A 78 2.928 -12.071 -1.115 1.00 0.00 C ATOM 1192 O ALA A 78 2.868 -11.460 -2.181 1.00 0.00 O ATOM 1193 CB ALA A 78 1.580 -14.178 -0.661 1.00 0.00 C ATOM 0 H ALA A 78 3.631 -14.582 0.619 1.00 0.00 H new ATOM 0 HA ALA A 78 3.115 -13.944 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.799 -13.826 -1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.623 -15.267 -0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.355 -13.853 0.355 1.00 0.00 H new ATOM 1199 N THR A 79 2.995 -11.496 0.077 1.00 0.00 N ATOM 1200 CA THR A 79 3.003 -10.049 0.210 1.00 0.00 C ATOM 1201 C THR A 79 4.440 -9.523 0.223 1.00 0.00 C ATOM 1202 O THR A 79 4.682 -8.359 -0.091 1.00 0.00 O ATOM 1203 CB THR A 79 2.212 -9.685 1.468 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.780 -8.449 1.891 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.489 -10.640 2.630 1.00 0.00 C ATOM 0 H THR A 79 3.044 -12.006 0.959 1.00 0.00 H new ATOM 0 HA THR A 79 2.522 -9.571 -0.643 1.00 0.00 H new ATOM 0 HB THR A 79 1.146 -9.690 1.240 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.097 -7.914 2.346 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.903 -10.337 3.498 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.212 -11.654 2.341 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.549 -10.611 2.880 1.00 0.00 H new ATOM 1213 N LYS A 80 5.357 -10.407 0.590 1.00 0.00 N ATOM 1214 CA LYS A 80 6.763 -10.046 0.649 1.00 0.00 C ATOM 1215 C LYS A 80 7.218 -9.560 -0.728 1.00 0.00 C ATOM 1216 O LYS A 80 8.225 -8.863 -0.843 1.00 0.00 O ATOM 1217 CB LYS A 80 7.593 -11.211 1.194 1.00 0.00 C ATOM 1218 CG LYS A 80 8.327 -11.936 0.065 1.00 0.00 C ATOM 1219 CD LYS A 80 9.524 -11.117 -0.425 1.00 0.00 C ATOM 1220 CE LYS A 80 10.805 -11.952 -0.403 1.00 0.00 C ATOM 1221 NZ LYS A 80 11.191 -12.344 -1.778 1.00 0.00 N ATOM 0 H LYS A 80 5.153 -11.372 0.849 1.00 0.00 H new ATOM 0 HA LYS A 80 6.916 -9.222 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.314 -10.839 1.922 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.943 -11.911 1.719 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.667 -12.911 0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.641 -12.116 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.335 -10.761 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.649 -10.236 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.611 -11.381 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.655 -12.843 0.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.063 -12.910 -1.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.428 -12.907 -2.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.354 -11.491 -2.350 1.00 0.00 H new ATOM 1235 N LYS A 81 6.452 -9.944 -1.739 1.00 0.00 N ATOM 1236 CA LYS A 81 6.764 -9.554 -3.104 1.00 0.00 C ATOM 1237 C LYS A 81 5.820 -8.431 -3.538 1.00 0.00 C ATOM 1238 O LYS A 81 5.915 -7.935 -4.659 1.00 0.00 O ATOM 1239 CB LYS A 81 6.735 -10.773 -4.028 1.00 0.00 C ATOM 1240 CG LYS A 81 5.392 -10.879 -4.754 1.00 0.00 C ATOM 1241 CD LYS A 81 5.174 -12.292 -5.301 1.00 0.00 C ATOM 1242 CE LYS A 81 3.929 -12.932 -4.686 1.00 0.00 C ATOM 1243 NZ LYS A 81 2.702 -12.307 -5.228 1.00 0.00 N ATOM 0 H LYS A 81 5.617 -10.521 -1.640 1.00 0.00 H new ATOM 0 HA LYS A 81 7.778 -9.159 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 81 7.542 -10.700 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.911 -11.678 -3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.583 -10.621 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.359 -10.159 -5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 81 5.070 -12.254 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.047 -12.908 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.922 -14.002 -4.895 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.953 -12.819 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 1.866 -12.754 -4.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 2.703 -11.291 -5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.673 -12.436 -6.260 1.00 0.00 H new ATOM 1257 N ALA A 82 4.931 -8.064 -2.626 1.00 0.00 N ATOM 1258 CA ALA A 82 3.971 -7.008 -2.901 1.00 0.00 C ATOM 1259 C ALA A 82 4.434 -5.715 -2.226 1.00 0.00 C ATOM 1260 O ALA A 82 5.159 -5.755 -1.234 1.00 0.00 O ATOM 1261 CB ALA A 82 2.583 -7.446 -2.430 1.00 0.00 C ATOM 0 H ALA A 82 4.855 -8.479 -1.697 1.00 0.00 H new ATOM 0 HA ALA A 82 3.907 -6.816 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.862 -6.655 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.288 -8.352 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.608 -7.644 -1.358 1.00 0.00 H new ATOM 1267 N ALA A 83 3.997 -4.600 -2.793 1.00 0.00 N ATOM 1268 CA ALA A 83 4.357 -3.298 -2.259 1.00 0.00 C ATOM 1269 C ALA A 83 3.252 -2.812 -1.321 1.00 0.00 C ATOM 1270 O ALA A 83 2.191 -3.429 -1.235 1.00 0.00 O ATOM 1271 CB ALA A 83 4.612 -2.326 -3.412 1.00 0.00 C ATOM 0 H ALA A 83 3.397 -4.572 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 83 5.277 -3.363 -1.678 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.882 -1.349 -3.011 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.426 -2.702 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.710 -2.233 -4.016 1.00 0.00 H new ATOM 1277 N PHE A 84 3.537 -1.711 -0.641 1.00 0.00 N ATOM 1278 CA PHE A 84 2.579 -1.135 0.287 1.00 0.00 C ATOM 1279 C PHE A 84 2.745 0.384 0.373 1.00 0.00 C ATOM 1280 O PHE A 84 3.864 0.885 0.478 1.00 0.00 O ATOM 1281 CB PHE A 84 2.865 -1.746 1.661 1.00 0.00 C ATOM 1282 CG PHE A 84 3.764 -2.983 1.616 1.00 0.00 C ATOM 1283 CD1 PHE A 84 3.250 -4.185 1.240 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.078 -2.882 1.954 1.00 0.00 C ATOM 1285 CE1 PHE A 84 4.084 -5.333 1.198 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.912 -4.030 1.913 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.398 -5.231 1.536 1.00 0.00 C ATOM 0 H PHE A 84 4.418 -1.203 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 84 1.563 -1.344 -0.048 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.334 -0.991 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.919 -2.013 2.132 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.207 -4.266 0.973 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.487 -1.928 2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.676 -6.287 0.898 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.955 -3.949 2.181 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.033 -6.104 1.505 1.00 0.00 H new ATOM 1297 N ILE A 85 1.615 1.073 0.327 1.00 0.00 N ATOM 1298 CA ILE A 85 1.620 2.525 0.398 1.00 0.00 C ATOM 1299 C ILE A 85 1.047 2.967 1.746 1.00 0.00 C ATOM 1300 O ILE A 85 -0.022 2.513 2.149 1.00 0.00 O ATOM 1301 CB ILE A 85 0.892 3.123 -0.806 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.359 2.472 -2.109 1.00 0.00 C ATOM 1303 CG2 ILE A 85 1.044 4.646 -0.839 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.654 3.094 -3.316 1.00 0.00 C ATOM 0 H ILE A 85 0.689 0.653 0.241 1.00 0.00 H new ATOM 0 HA ILE A 85 2.640 2.906 0.345 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.172 2.908 -0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.438 2.590 -2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.157 1.401 -2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.517 5.046 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.623 5.073 0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.101 4.905 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.004 2.613 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.423 2.953 -3.221 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.878 4.160 -3.358 1.00 0.00 H new ATOM 1316 N ILE A 86 1.785 3.848 2.407 1.00 0.00 N ATOM 1317 CA ILE A 86 1.362 4.356 3.701 1.00 0.00 C ATOM 1318 C ILE A 86 1.386 5.885 3.675 1.00 0.00 C ATOM 1319 O ILE A 86 2.457 6.493 3.662 1.00 0.00 O ATOM 1320 CB ILE A 86 2.211 3.746 4.818 1.00 0.00 C ATOM 1321 CG1 ILE A 86 2.943 2.494 4.330 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.363 3.466 6.060 1.00 0.00 C ATOM 1323 CD1 ILE A 86 1.960 1.350 4.070 1.00 0.00 C ATOM 0 H ILE A 86 2.672 4.222 2.071 1.00 0.00 H new ATOM 0 HA ILE A 86 0.335 4.057 3.912 1.00 0.00 H new ATOM 0 HB ILE A 86 2.972 4.472 5.104 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.491 2.722 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.678 2.185 5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.990 3.033 6.839 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.928 4.398 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.566 2.768 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.506 0.472 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.431 1.108 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 86 1.242 1.654 3.308 1.00 0.00 H new ATOM 1335 N LEU A 87 0.195 6.465 3.669 1.00 0.00 N ATOM 1336 CA LEU A 87 0.066 7.911 3.645 1.00 0.00 C ATOM 1337 C LEU A 87 -0.866 8.355 4.775 1.00 0.00 C ATOM 1338 O LEU A 87 -1.580 7.536 5.352 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.376 8.387 2.260 1.00 0.00 C ATOM 1340 CG LEU A 87 -1.886 8.527 2.049 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.602 7.205 2.326 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.452 9.674 2.889 1.00 0.00 C ATOM 0 H LEU A 87 -0.690 5.958 3.680 1.00 0.00 H new ATOM 0 HA LEU A 87 1.032 8.382 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.089 9.353 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.012 7.690 1.517 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.064 8.776 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.673 7.332 2.169 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.224 6.438 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.420 6.902 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.526 9.752 2.721 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.263 9.480 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.971 10.608 2.600 1.00 0.00 H new ATOM 1354 N THR A 88 -0.829 9.649 5.056 1.00 0.00 N ATOM 1355 CA THR A 88 -1.663 10.210 6.105 1.00 0.00 C ATOM 1356 C THR A 88 -2.236 11.560 5.667 1.00 0.00 C ATOM 1357 O THR A 88 -1.889 12.069 4.603 1.00 0.00 O ATOM 1358 CB THR A 88 -0.823 10.293 7.382 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.527 11.222 8.201 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.536 10.958 7.147 1.00 0.00 C ATOM 0 H THR A 88 -0.235 10.325 4.576 1.00 0.00 H new ATOM 0 HA THR A 88 -2.526 9.576 6.306 1.00 0.00 H new ATOM 0 HB THR A 88 -0.672 9.291 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.052 11.334 9.051 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.092 10.992 8.084 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.100 10.384 6.411 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.386 11.973 6.778 1.00 0.00 H new ATOM 1368 N ALA A 89 -3.105 12.100 6.510 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.729 13.380 6.222 1.00 0.00 C ATOM 1370 C ALA A 89 -2.647 14.454 6.099 1.00 0.00 C ATOM 1371 O ALA A 89 -2.911 15.553 5.613 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.752 13.704 7.313 1.00 0.00 C ATOM 0 H ALA A 89 -3.391 11.674 7.392 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.264 13.342 5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.221 14.664 7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.514 12.926 7.340 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.250 13.753 8.279 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.452 14.100 6.548 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.329 15.021 6.494 1.00 0.00 C ATOM 1380 C GLN A 90 0.754 14.483 5.557 1.00 0.00 C ATOM 1381 O GLN A 90 0.778 14.815 4.373 1.00 0.00 O ATOM 1382 CB GLN A 90 0.235 15.279 7.892 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.684 16.205 8.691 1.00 0.00 C ATOM 1384 CD GLN A 90 0.086 17.413 9.228 1.00 0.00 C ATOM 1385 OE1 GLN A 90 1.068 17.289 9.940 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -0.413 18.585 8.847 1.00 0.00 N ATOM 0 H GLN A 90 -1.237 13.188 6.951 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.683 15.973 6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.353 14.333 8.421 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.226 15.725 7.812 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.504 16.544 8.058 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.128 15.655 9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.239 18.618 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.030 19.451 9.152 1.00 0.00 H new ATOM 1395 N GLY A 91 1.625 13.658 6.121 1.00 0.00 N ATOM 1396 CA GLY A 91 2.707 13.071 5.351 1.00 0.00 C ATOM 1397 C GLY A 91 3.878 12.684 6.257 1.00 0.00 C ATOM 1398 O GLY A 91 4.275 13.457 7.128 1.00 0.00 O ATOM 0 H GLY A 91 1.602 13.383 7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.345 12.189 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.046 13.779 4.595 1.00 0.00 H new ATOM 1402 N ASP A 92 4.398 11.488 6.021 1.00 0.00 N ATOM 1403 CA ASP A 92 5.515 10.990 6.804 1.00 0.00 C ATOM 1404 C ASP A 92 6.472 10.223 5.890 1.00 0.00 C ATOM 1405 O ASP A 92 6.454 8.993 5.859 1.00 0.00 O ATOM 1406 CB ASP A 92 5.037 10.034 7.898 1.00 0.00 C ATOM 1407 CG ASP A 92 4.086 10.649 8.926 1.00 0.00 C ATOM 1408 OD1 ASP A 92 4.221 11.869 9.165 1.00 0.00 O ATOM 1409 OD2 ASP A 92 3.246 9.887 9.451 1.00 0.00 O ATOM 0 H ASP A 92 4.066 10.850 5.298 1.00 0.00 H new ATOM 0 HA ASP A 92 6.012 11.844 7.263 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.539 9.187 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 92 5.908 9.641 8.422 1.00 0.00 H new ATOM 1414 N ARG A 93 7.285 10.980 5.168 1.00 0.00 N ATOM 1415 CA ARG A 93 8.247 10.387 4.256 1.00 0.00 C ATOM 1416 C ARG A 93 9.195 9.456 5.015 1.00 0.00 C ATOM 1417 O ARG A 93 9.589 8.411 4.501 1.00 0.00 O ATOM 1418 CB ARG A 93 9.066 11.465 3.541 1.00 0.00 C ATOM 1419 CG ARG A 93 8.376 11.911 2.251 1.00 0.00 C ATOM 1420 CD ARG A 93 9.023 13.182 1.695 1.00 0.00 C ATOM 1421 NE ARG A 93 10.466 12.956 1.463 1.00 0.00 N ATOM 1422 CZ ARG A 93 11.285 13.852 0.896 1.00 0.00 C ATOM 1423 NH1 ARG A 93 10.808 15.040 0.500 1.00 0.00 N ATOM 1424 NH2 ARG A 93 12.582 13.561 0.725 1.00 0.00 N ATOM 0 H ARG A 93 7.297 12.000 5.196 1.00 0.00 H new ATOM 0 HA ARG A 93 7.690 9.817 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.201 12.322 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.060 11.080 3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 93 8.434 11.115 1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.318 12.091 2.443 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.537 13.469 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.884 14.007 2.394 1.00 0.00 H new ATOM 0 HE ARG A 93 10.863 12.062 1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 93 9.821 15.262 0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 93 11.432 15.722 0.068 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.946 12.657 1.027 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.205 14.243 0.293 1.00 0.00 H new ATOM 1438 N ALA A 94 9.534 9.870 6.226 1.00 0.00 N ATOM 1439 CA ALA A 94 10.429 9.087 7.062 1.00 0.00 C ATOM 1440 C ALA A 94 9.753 7.762 7.424 1.00 0.00 C ATOM 1441 O ALA A 94 10.399 6.717 7.445 1.00 0.00 O ATOM 1442 CB ALA A 94 10.816 9.900 8.299 1.00 0.00 C ATOM 0 H ALA A 94 9.205 10.738 6.649 1.00 0.00 H new ATOM 0 HA ALA A 94 11.348 8.853 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.487 9.312 8.925 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.318 10.817 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.919 10.151 8.865 1.00 0.00 H new ATOM 1448 N LEU A 95 8.459 7.851 7.699 1.00 0.00 N ATOM 1449 CA LEU A 95 7.689 6.673 8.058 1.00 0.00 C ATOM 1450 C LEU A 95 7.756 5.657 6.916 1.00 0.00 C ATOM 1451 O LEU A 95 8.007 4.474 7.146 1.00 0.00 O ATOM 1452 CB LEU A 95 6.262 7.065 8.449 1.00 0.00 C ATOM 1453 CG LEU A 95 6.092 7.671 9.843 1.00 0.00 C ATOM 1454 CD1 LEU A 95 5.735 6.594 10.870 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.335 8.463 10.252 1.00 0.00 C ATOM 0 H LEU A 95 7.926 8.720 7.680 1.00 0.00 H new ATOM 0 HA LEU A 95 8.116 6.192 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.889 7.780 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.631 6.179 8.380 1.00 0.00 H new ATOM 0 HG LEU A 95 5.259 8.373 9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.620 7.052 11.852 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.800 6.112 10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.530 5.849 10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.188 8.883 11.247 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.201 7.801 10.262 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.503 9.270 9.539 1.00 0.00 H new ATOM 1467 N VAL A 96 7.528 6.155 5.709 1.00 0.00 N ATOM 1468 CA VAL A 96 7.559 5.305 4.531 1.00 0.00 C ATOM 1469 C VAL A 96 8.980 4.773 4.329 1.00 0.00 C ATOM 1470 O VAL A 96 9.203 3.564 4.353 1.00 0.00 O ATOM 1471 CB VAL A 96 7.031 6.072 3.317 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.822 5.718 2.057 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.536 5.816 3.116 1.00 0.00 C ATOM 0 H VAL A 96 7.321 7.136 5.522 1.00 0.00 H new ATOM 0 HA VAL A 96 6.904 4.444 4.665 1.00 0.00 H new ATOM 0 HB VAL A 96 7.167 7.136 3.508 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.426 6.277 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.871 5.974 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.733 4.650 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.185 6.373 2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.367 4.751 2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.989 6.142 4.001 1.00 0.00 H new ATOM 1483 N GLN A 97 9.904 5.703 4.135 1.00 0.00 N ATOM 1484 CA GLN A 97 11.297 5.342 3.930 1.00 0.00 C ATOM 1485 C GLN A 97 11.766 4.387 5.028 1.00 0.00 C ATOM 1486 O GLN A 97 12.668 3.579 4.810 1.00 0.00 O ATOM 1487 CB GLN A 97 12.182 6.589 3.871 1.00 0.00 C ATOM 1488 CG GLN A 97 11.875 7.423 2.628 1.00 0.00 C ATOM 1489 CD GLN A 97 13.147 7.698 1.824 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.544 8.832 1.609 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.763 6.601 1.392 1.00 0.00 N ATOM 0 H GLN A 97 9.716 6.705 4.115 1.00 0.00 H new ATOM 0 HA GLN A 97 11.383 4.830 2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.026 7.192 4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.231 6.294 3.865 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.152 6.898 2.003 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.416 8.367 2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.378 5.681 1.607 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.621 6.679 0.846 1.00 0.00 H new ATOM 1500 N LYS A 98 11.131 4.509 6.185 1.00 0.00 N ATOM 1501 CA LYS A 98 11.473 3.666 7.318 1.00 0.00 C ATOM 1502 C LYS A 98 11.029 2.230 7.032 1.00 0.00 C ATOM 1503 O LYS A 98 11.806 1.291 7.198 1.00 0.00 O ATOM 1504 CB LYS A 98 10.891 4.243 8.610 1.00 0.00 C ATOM 1505 CG LYS A 98 11.881 5.202 9.277 1.00 0.00 C ATOM 1506 CD LYS A 98 11.150 6.371 9.939 1.00 0.00 C ATOM 1507 CE LYS A 98 11.484 6.452 11.430 1.00 0.00 C ATOM 1508 NZ LYS A 98 10.802 7.609 12.052 1.00 0.00 N ATOM 0 H LYS A 98 10.382 5.179 6.362 1.00 0.00 H new ATOM 0 HA LYS A 98 12.553 3.644 7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 98 9.961 4.768 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.646 3.433 9.296 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.466 4.665 10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.583 5.581 8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.429 7.304 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.074 6.252 9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.178 5.532 11.928 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.562 6.543 11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 11.039 7.649 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.114 8.486 11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.773 7.506 11.942 1.00 0.00 H new ATOM 1522 N ALA A 99 9.780 2.104 6.607 1.00 0.00 N ATOM 1523 CA ALA A 99 9.223 0.799 6.296 1.00 0.00 C ATOM 1524 C ALA A 99 10.100 0.112 5.248 1.00 0.00 C ATOM 1525 O ALA A 99 10.547 -1.017 5.450 1.00 0.00 O ATOM 1526 CB ALA A 99 7.774 0.959 5.830 1.00 0.00 C ATOM 0 H ALA A 99 9.138 2.885 6.471 1.00 0.00 H new ATOM 0 HA ALA A 99 9.211 0.166 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.357 -0.021 5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.187 1.425 6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.745 1.587 4.940 1.00 0.00 H new ATOM 1532 N ALA A 100 10.321 0.820 4.151 1.00 0.00 N ATOM 1533 CA ALA A 100 11.136 0.292 3.069 1.00 0.00 C ATOM 1534 C ALA A 100 12.492 -0.146 3.628 1.00 0.00 C ATOM 1535 O ALA A 100 12.955 -1.250 3.345 1.00 0.00 O ATOM 1536 CB ALA A 100 11.272 1.348 1.970 1.00 0.00 C ATOM 0 H ALA A 100 9.950 1.756 3.987 1.00 0.00 H new ATOM 0 HA ALA A 100 10.664 -0.583 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.883 0.952 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.284 1.605 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.746 2.240 2.379 1.00 0.00 H new ATOM 1542 N ALA A 101 13.089 0.741 4.409 1.00 0.00 N ATOM 1543 CA ALA A 101 14.383 0.459 5.009 1.00 0.00 C ATOM 1544 C ALA A 101 14.252 -0.739 5.953 1.00 0.00 C ATOM 1545 O ALA A 101 15.083 -1.645 5.932 1.00 0.00 O ATOM 1546 CB ALA A 101 14.898 1.710 5.722 1.00 0.00 C ATOM 0 H ALA A 101 12.701 1.656 4.641 1.00 0.00 H new ATOM 0 HA ALA A 101 15.113 0.197 4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.868 1.499 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.001 2.522 5.003 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.193 2.001 6.500 1.00 0.00 H new ATOM 1552 N LEU A 102 13.201 -0.703 6.760 1.00 0.00 N ATOM 1553 CA LEU A 102 12.951 -1.773 7.710 1.00 0.00 C ATOM 1554 C LEU A 102 13.236 -3.120 7.041 1.00 0.00 C ATOM 1555 O LEU A 102 14.009 -3.923 7.560 1.00 0.00 O ATOM 1556 CB LEU A 102 11.539 -1.659 8.287 1.00 0.00 C ATOM 1557 CG LEU A 102 11.277 -0.449 9.186 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.575 -0.869 10.479 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.571 0.319 9.461 1.00 0.00 C ATOM 0 H LEU A 102 12.513 0.050 6.775 1.00 0.00 H new ATOM 0 HA LEU A 102 13.625 -1.691 8.562 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.831 -1.631 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.327 -2.563 8.858 1.00 0.00 H new ATOM 0 HG LEU A 102 10.605 0.229 8.660 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.400 0.010 11.100 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.621 -1.339 10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.203 -1.577 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.357 1.174 10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.285 -0.338 9.958 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.994 0.668 8.519 1.00 0.00 H new ATOM 1571 N GLY A 103 12.595 -3.324 5.901 1.00 0.00 N ATOM 1572 CA GLY A 103 12.768 -4.559 5.155 1.00 0.00 C ATOM 1573 C GLY A 103 11.523 -4.879 4.325 1.00 0.00 C ATOM 1574 O GLY A 103 11.107 -6.033 4.243 1.00 0.00 O ATOM 0 H GLY A 103 11.954 -2.655 5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.634 -4.473 4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.970 -5.379 5.844 1.00 0.00 H new ATOM 1578 N ALA A 104 10.965 -3.836 3.730 1.00 0.00 N ATOM 1579 CA ALA A 104 9.776 -3.991 2.908 1.00 0.00 C ATOM 1580 C ALA A 104 10.190 -4.145 1.444 1.00 0.00 C ATOM 1581 O ALA A 104 11.279 -3.725 1.055 1.00 0.00 O ATOM 1582 CB ALA A 104 8.844 -2.797 3.129 1.00 0.00 C ATOM 0 H ALA A 104 11.314 -2.880 3.800 1.00 0.00 H new ATOM 0 HA ALA A 104 9.228 -4.889 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.952 -2.913 2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.556 -2.750 4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.359 -1.877 2.852 1.00 0.00 H new ATOM 1588 N ASN A 105 9.299 -4.749 0.671 1.00 0.00 N ATOM 1589 CA ASN A 105 9.558 -4.963 -0.743 1.00 0.00 C ATOM 1590 C ASN A 105 9.509 -3.621 -1.476 1.00 0.00 C ATOM 1591 O ASN A 105 10.419 -3.291 -2.236 1.00 0.00 O ATOM 1592 CB ASN A 105 8.501 -5.880 -1.364 1.00 0.00 C ATOM 1593 CG ASN A 105 9.022 -6.524 -2.649 1.00 0.00 C ATOM 1594 OD1 ASN A 105 9.850 -7.421 -2.635 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.493 -6.018 -3.761 1.00 0.00 N ATOM 0 H ASN A 105 8.397 -5.097 0.997 1.00 0.00 H new ATOM 0 HA ASN A 105 10.540 -5.427 -0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.223 -6.656 -0.651 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.599 -5.307 -1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.776 -6.381 -4.671 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.804 -5.268 -3.703 1.00 0.00 H new ATOM 1602 N ASN A 106 8.439 -2.883 -1.222 1.00 0.00 N ATOM 1603 CA ASN A 106 8.259 -1.584 -1.847 1.00 0.00 C ATOM 1604 C ASN A 106 7.158 -0.817 -1.113 1.00 0.00 C ATOM 1605 O ASN A 106 6.001 -1.234 -1.110 1.00 0.00 O ATOM 1606 CB ASN A 106 7.838 -1.732 -3.311 1.00 0.00 C ATOM 1607 CG ASN A 106 8.914 -1.181 -4.250 1.00 0.00 C ATOM 1608 OD1 ASN A 106 8.722 -0.198 -4.947 1.00 0.00 O ATOM 1609 ND2 ASN A 106 10.052 -1.868 -4.229 1.00 0.00 N ATOM 0 H ASN A 106 7.687 -3.160 -0.591 1.00 0.00 H new ATOM 0 HA ASN A 106 9.208 -1.051 -1.796 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.657 -2.783 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.899 -1.204 -3.478 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.832 -1.581 -4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.145 -2.682 -3.621 1.00 0.00 H new ATOM 1616 N VAL A 107 7.557 0.293 -0.509 1.00 0.00 N ATOM 1617 CA VAL A 107 6.618 1.123 0.228 1.00 0.00 C ATOM 1618 C VAL A 107 6.732 2.569 -0.260 1.00 0.00 C ATOM 1619 O VAL A 107 7.828 3.126 -0.314 1.00 0.00 O ATOM 1620 CB VAL A 107 6.860 0.978 1.732 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.289 1.383 2.099 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.838 1.789 2.532 1.00 0.00 C ATOM 0 H VAL A 107 8.517 0.637 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 107 5.594 0.798 0.045 1.00 0.00 H new ATOM 0 HB VAL A 107 6.732 -0.073 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.434 1.271 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.996 0.745 1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.456 2.422 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.032 1.669 3.598 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.920 2.843 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.833 1.434 2.304 1.00 0.00 H new ATOM 1632 N LEU A 108 5.584 3.136 -0.601 1.00 0.00 N ATOM 1633 CA LEU A 108 5.540 4.506 -1.082 1.00 0.00 C ATOM 1634 C LEU A 108 4.617 5.329 -0.182 1.00 0.00 C ATOM 1635 O LEU A 108 3.637 4.808 0.349 1.00 0.00 O ATOM 1636 CB LEU A 108 5.151 4.543 -2.562 1.00 0.00 C ATOM 1637 CG LEU A 108 6.272 4.243 -3.557 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.570 4.943 -3.150 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.464 2.734 -3.730 1.00 0.00 C ATOM 0 H LEU A 108 4.677 2.671 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 108 6.529 4.961 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.347 3.825 -2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.747 5.530 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 108 5.981 4.644 -4.528 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.351 4.712 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.409 6.021 -3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.877 4.595 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 108 7.267 2.549 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.721 2.287 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.540 2.290 -4.101 1.00 0.00 H new ATOM 1651 N ALA A 109 4.960 6.600 -0.039 1.00 0.00 N ATOM 1652 CA ALA A 109 4.174 7.500 0.788 1.00 0.00 C ATOM 1653 C ALA A 109 3.328 8.403 -0.112 1.00 0.00 C ATOM 1654 O ALA A 109 3.493 8.401 -1.330 1.00 0.00 O ATOM 1655 CB ALA A 109 5.105 8.297 1.704 1.00 0.00 C ATOM 0 H ALA A 109 5.772 7.029 -0.482 1.00 0.00 H new ATOM 0 HA ALA A 109 3.492 6.938 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.515 8.972 2.324 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.662 7.611 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.802 8.876 1.099 1.00 0.00 H new ATOM 1661 N LYS A 110 2.441 9.154 0.524 1.00 0.00 N ATOM 1662 CA LYS A 110 1.569 10.061 -0.203 1.00 0.00 C ATOM 1663 C LYS A 110 1.468 11.384 0.557 1.00 0.00 C ATOM 1664 O LYS A 110 0.391 11.758 1.019 1.00 0.00 O ATOM 1665 CB LYS A 110 0.214 9.401 -0.472 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.276 9.713 -1.887 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.761 10.078 -1.884 1.00 0.00 C ATOM 1668 CE LYS A 110 -1.961 11.559 -1.556 1.00 0.00 C ATOM 1669 NZ LYS A 110 -3.134 12.097 -2.280 1.00 0.00 N ATOM 0 H LYS A 110 2.307 9.153 1.535 1.00 0.00 H new ATOM 0 HA LYS A 110 1.988 10.288 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.299 8.322 -0.342 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.517 9.753 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.304 10.537 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.111 8.850 -2.532 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -2.196 9.856 -2.859 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.288 9.465 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -2.100 11.684 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.068 12.122 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -3.255 13.103 -2.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.986 11.995 -3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.986 11.571 -1.999 1.00 0.00 H new ATOM 1683 N PRO A 111 2.635 12.075 0.666 1.00 0.00 N ATOM 1684 CA PRO A 111 2.688 13.349 1.363 1.00 0.00 C ATOM 1685 C PRO A 111 2.067 14.462 0.516 1.00 0.00 C ATOM 1686 O PRO A 111 1.318 14.192 -0.421 1.00 0.00 O ATOM 1687 CB PRO A 111 4.162 13.576 1.655 1.00 0.00 C ATOM 1688 CG PRO A 111 4.921 12.659 0.711 1.00 0.00 C ATOM 1689 CD PRO A 111 3.929 11.662 0.131 1.00 0.00 C ATOM 0 HA PRO A 111 2.109 13.349 2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.436 14.618 1.491 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.394 13.345 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.392 13.236 -0.085 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.718 12.139 1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.933 11.687 -0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.173 10.642 0.428 1.00 0.00 H new ATOM 1697 N PHE A 112 2.403 15.693 0.875 1.00 0.00 N ATOM 1698 CA PHE A 112 1.889 16.849 0.162 1.00 0.00 C ATOM 1699 C PHE A 112 2.820 17.243 -0.987 1.00 0.00 C ATOM 1700 O PHE A 112 2.765 18.369 -1.476 1.00 0.00 O ATOM 1701 CB PHE A 112 1.821 18.001 1.166 1.00 0.00 C ATOM 1702 CG PHE A 112 0.430 18.227 1.760 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.061 17.363 2.690 1.00 0.00 C ATOM 1704 CD2 PHE A 112 -0.317 19.291 1.361 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.353 17.572 3.241 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -1.609 19.500 1.913 1.00 0.00 C ATOM 1707 CZ PHE A 112 -2.099 18.636 2.841 1.00 0.00 C ATOM 0 H PHE A 112 3.026 15.914 1.652 1.00 0.00 H new ATOM 0 HA PHE A 112 0.911 16.620 -0.261 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.523 17.805 1.976 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.148 18.917 0.675 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.532 16.519 3.009 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.072 19.978 0.624 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -1.743 16.886 3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.202 20.345 1.596 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.081 18.795 3.261 1.00 0.00 H new ATOM 1717 N THR A 113 3.653 16.292 -1.384 1.00 0.00 N ATOM 1718 CA THR A 113 4.596 16.525 -2.465 1.00 0.00 C ATOM 1719 C THR A 113 4.374 15.514 -3.592 1.00 0.00 C ATOM 1720 O THR A 113 4.875 14.393 -3.531 1.00 0.00 O ATOM 1721 CB THR A 113 6.007 16.483 -1.878 1.00 0.00 C ATOM 1722 OG1 THR A 113 6.850 16.312 -3.015 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.256 15.228 -1.039 1.00 0.00 C ATOM 0 H THR A 113 3.694 15.358 -0.976 1.00 0.00 H new ATOM 0 HA THR A 113 4.447 17.506 -2.917 1.00 0.00 H new ATOM 0 HB THR A 113 6.171 17.368 -1.264 1.00 0.00 H new ATOM 0 HG1 THR A 113 7.786 16.276 -2.726 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.273 15.249 -0.646 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.548 15.197 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.125 14.343 -1.661 1.00 0.00 H new ATOM 1731 N ILE A 114 3.625 15.949 -4.594 1.00 0.00 N ATOM 1732 CA ILE A 114 3.331 15.096 -5.734 1.00 0.00 C ATOM 1733 C ILE A 114 4.639 14.534 -6.295 1.00 0.00 C ATOM 1734 O ILE A 114 4.651 13.461 -6.895 1.00 0.00 O ATOM 1735 CB ILE A 114 2.493 15.851 -6.767 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.298 16.990 -7.398 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.182 16.348 -6.153 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.567 16.716 -8.879 1.00 0.00 C ATOM 0 H ILE A 114 3.213 16.881 -4.641 1.00 0.00 H new ATOM 0 HA ILE A 114 2.723 14.245 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 114 2.231 15.158 -7.567 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.753 17.928 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.244 17.109 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.605 16.881 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.605 15.498 -5.790 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.401 17.020 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.140 17.540 -9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.133 15.790 -8.981 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.620 16.622 -9.410 1.00 0.00 H new ATOM 1750 N GLU A 115 5.709 15.285 -6.078 1.00 0.00 N ATOM 1751 CA GLU A 115 7.019 14.875 -6.555 1.00 0.00 C ATOM 1752 C GLU A 115 7.459 13.585 -5.857 1.00 0.00 C ATOM 1753 O GLU A 115 8.024 12.695 -6.489 1.00 0.00 O ATOM 1754 CB GLU A 115 8.050 15.987 -6.352 1.00 0.00 C ATOM 1755 CG GLU A 115 8.298 16.751 -7.654 1.00 0.00 C ATOM 1756 CD GLU A 115 9.120 18.015 -7.400 1.00 0.00 C ATOM 1757 OE1 GLU A 115 8.701 18.797 -6.519 1.00 0.00 O ATOM 1758 OE2 GLU A 115 10.148 18.173 -8.093 1.00 0.00 O ATOM 0 H GLU A 115 5.696 16.174 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 115 6.949 14.681 -7.625 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.700 16.676 -5.583 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.986 15.559 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.821 16.109 -8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 115 7.345 17.018 -8.110 1.00 0.00 H new ATOM 1765 N LYS A 116 7.182 13.528 -4.563 1.00 0.00 N ATOM 1766 CA LYS A 116 7.542 12.362 -3.772 1.00 0.00 C ATOM 1767 C LYS A 116 6.581 11.216 -4.095 1.00 0.00 C ATOM 1768 O LYS A 116 7.010 10.144 -4.519 1.00 0.00 O ATOM 1769 CB LYS A 116 7.594 12.720 -2.285 1.00 0.00 C ATOM 1770 CG LYS A 116 8.691 11.928 -1.570 1.00 0.00 C ATOM 1771 CD LYS A 116 10.069 12.539 -1.835 1.00 0.00 C ATOM 1772 CE LYS A 116 11.180 11.653 -1.269 1.00 0.00 C ATOM 1773 NZ LYS A 116 11.297 10.403 -2.053 1.00 0.00 N ATOM 0 H LYS A 116 6.713 14.269 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 116 8.544 12.020 -4.030 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.778 13.788 -2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.629 12.511 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.495 11.915 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.677 10.892 -1.909 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.213 12.668 -2.908 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.124 13.530 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.128 12.191 -1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.969 11.417 -0.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.206 9.944 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 10.518 9.761 -1.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.249 10.624 -3.068 1.00 0.00 H new ATOM 1787 N MET A 117 5.301 11.481 -3.884 1.00 0.00 N ATOM 1788 CA MET A 117 4.276 10.486 -4.148 1.00 0.00 C ATOM 1789 C MET A 117 4.362 9.979 -5.589 1.00 0.00 C ATOM 1790 O MET A 117 4.465 8.775 -5.822 1.00 0.00 O ATOM 1791 CB MET A 117 2.895 11.096 -3.903 1.00 0.00 C ATOM 1792 CG MET A 117 1.785 10.117 -4.293 1.00 0.00 C ATOM 1793 SD MET A 117 0.342 11.015 -4.836 1.00 0.00 S ATOM 1794 CE MET A 117 -0.538 9.708 -5.676 1.00 0.00 C ATOM 0 H MET A 117 4.950 12.372 -3.533 1.00 0.00 H new ATOM 0 HA MET A 117 4.434 9.643 -3.476 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.794 11.366 -2.852 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.792 12.016 -4.479 1.00 0.00 H new ATOM 0 HG2 MET A 117 2.133 9.457 -5.088 1.00 0.00 H new ATOM 0 HG3 MET A 117 1.531 9.485 -3.442 1.00 0.00 H new ATOM 0 HE1 MET A 117 -1.472 10.099 -6.080 1.00 0.00 H new ATOM 0 HE2 MET A 117 0.075 9.321 -6.490 1.00 0.00 H new ATOM 0 HE3 MET A 117 -0.755 8.905 -4.972 1.00 0.00 H new ATOM 1804 N LYS A 118 4.317 10.922 -6.518 1.00 0.00 N ATOM 1805 CA LYS A 118 4.388 10.586 -7.930 1.00 0.00 C ATOM 1806 C LYS A 118 5.663 9.783 -8.194 1.00 0.00 C ATOM 1807 O LYS A 118 5.601 8.655 -8.682 1.00 0.00 O ATOM 1808 CB LYS A 118 4.268 11.847 -8.787 1.00 0.00 C ATOM 1809 CG LYS A 118 3.977 11.492 -10.247 1.00 0.00 C ATOM 1810 CD LYS A 118 5.064 12.041 -11.172 1.00 0.00 C ATOM 1811 CE LYS A 118 5.101 13.570 -11.130 1.00 0.00 C ATOM 1812 NZ LYS A 118 4.974 14.128 -12.494 1.00 0.00 N ATOM 0 H LYS A 118 4.232 11.919 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 118 3.547 9.954 -8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.472 12.481 -8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.192 12.422 -8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 118 3.914 10.409 -10.356 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.008 11.898 -10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.034 11.642 -10.875 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.880 11.706 -12.193 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.292 13.942 -10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.035 13.905 -10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.001 15.167 -12.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.760 13.787 -13.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.071 13.823 -12.911 1.00 0.00 H new ATOM 1826 N ALA A 119 6.791 10.394 -7.861 1.00 0.00 N ATOM 1827 CA ALA A 119 8.078 9.751 -8.057 1.00 0.00 C ATOM 1828 C ALA A 119 8.088 8.407 -7.325 1.00 0.00 C ATOM 1829 O ALA A 119 8.673 7.437 -7.807 1.00 0.00 O ATOM 1830 CB ALA A 119 9.193 10.683 -7.579 1.00 0.00 C ATOM 0 H ALA A 119 6.839 11.329 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 119 8.251 9.552 -9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.159 10.200 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.161 11.611 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.055 10.903 -6.520 1.00 0.00 H new ATOM 1836 N ALA A 120 7.433 8.392 -6.174 1.00 0.00 N ATOM 1837 CA ALA A 120 7.358 7.183 -5.371 1.00 0.00 C ATOM 1838 C ALA A 120 6.732 6.062 -6.202 1.00 0.00 C ATOM 1839 O ALA A 120 7.331 5.000 -6.369 1.00 0.00 O ATOM 1840 CB ALA A 120 6.572 7.468 -4.089 1.00 0.00 C ATOM 0 H ALA A 120 6.949 9.198 -5.778 1.00 0.00 H new ATOM 0 HA ALA A 120 8.355 6.857 -5.075 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.516 6.561 -3.487 1.00 0.00 H new ATOM 0 HB2 ALA A 120 7.075 8.250 -3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.565 7.796 -4.345 1.00 0.00 H new ATOM 1846 N ILE A 121 5.536 6.335 -6.702 1.00 0.00 N ATOM 1847 CA ILE A 121 4.823 5.363 -7.511 1.00 0.00 C ATOM 1848 C ILE A 121 5.672 5.001 -8.732 1.00 0.00 C ATOM 1849 O ILE A 121 5.759 3.832 -9.108 1.00 0.00 O ATOM 1850 CB ILE A 121 3.427 5.880 -7.865 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.403 6.473 -9.275 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.931 6.877 -6.815 1.00 0.00 C ATOM 1853 CD1 ILE A 121 1.969 6.584 -9.799 1.00 0.00 C ATOM 0 H ILE A 121 5.043 7.217 -6.562 1.00 0.00 H new ATOM 0 HA ILE A 121 4.664 4.443 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 121 2.738 5.036 -7.860 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.868 7.459 -9.267 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.992 5.848 -9.946 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.937 7.230 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.887 6.388 -5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.616 7.724 -6.765 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.980 7.008 -10.803 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.515 5.594 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.389 7.229 -9.139 1.00 0.00 H new ATOM 1865 N GLU A 122 6.276 6.024 -9.317 1.00 0.00 N ATOM 1866 CA GLU A 122 7.115 5.829 -10.488 1.00 0.00 C ATOM 1867 C GLU A 122 8.218 4.813 -10.187 1.00 0.00 C ATOM 1868 O GLU A 122 8.799 4.231 -11.102 1.00 0.00 O ATOM 1869 CB GLU A 122 7.707 7.156 -10.965 1.00 0.00 C ATOM 1870 CG GLU A 122 6.612 8.090 -11.484 1.00 0.00 C ATOM 1871 CD GLU A 122 7.065 8.812 -12.756 1.00 0.00 C ATOM 1872 OE1 GLU A 122 7.770 9.833 -12.607 1.00 0.00 O ATOM 1873 OE2 GLU A 122 6.695 8.326 -13.846 1.00 0.00 O ATOM 0 H GLU A 122 6.201 6.991 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 122 6.495 5.435 -11.294 1.00 0.00 H new ATOM 0 HB2 GLU A 122 8.241 7.636 -10.145 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.436 6.970 -11.754 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.707 7.517 -11.689 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.359 8.822 -10.717 1.00 0.00 H new ATOM 1880 N ALA A 123 8.475 4.631 -8.899 1.00 0.00 N ATOM 1881 CA ALA A 123 9.499 3.695 -8.466 1.00 0.00 C ATOM 1882 C ALA A 123 8.878 2.306 -8.303 1.00 0.00 C ATOM 1883 O ALA A 123 9.429 1.317 -8.781 1.00 0.00 O ATOM 1884 CB ALA A 123 10.140 4.202 -7.172 1.00 0.00 C ATOM 0 H ALA A 123 7.992 5.116 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 123 10.289 3.618 -9.213 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.908 3.500 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.592 5.178 -7.348 1.00 0.00 H new ATOM 0 HB3 ALA A 123 9.377 4.289 -6.398 1.00 0.00 H new ATOM 1890 N VAL A 124 7.740 2.277 -7.626 1.00 0.00 N ATOM 1891 CA VAL A 124 7.038 1.026 -7.394 1.00 0.00 C ATOM 1892 C VAL A 124 6.667 0.398 -8.739 1.00 0.00 C ATOM 1893 O VAL A 124 6.681 -0.824 -8.883 1.00 0.00 O ATOM 1894 CB VAL A 124 5.826 1.265 -6.491 1.00 0.00 C ATOM 1895 CG1 VAL A 124 4.536 1.333 -7.312 1.00 0.00 C ATOM 1896 CG2 VAL A 124 5.730 0.191 -5.407 1.00 0.00 C ATOM 0 H VAL A 124 7.286 3.100 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 124 7.681 0.318 -6.871 1.00 0.00 H new ATOM 0 HB VAL A 124 5.960 2.228 -5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.690 1.504 -6.647 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.604 2.151 -8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.394 0.393 -7.846 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.860 0.384 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 124 5.630 -0.789 -5.874 1.00 0.00 H new ATOM 0 HG23 VAL A 124 6.631 0.211 -4.794 1.00 0.00 H new ATOM 1906 N PHE A 125 6.344 1.261 -9.691 1.00 0.00 N ATOM 1907 CA PHE A 125 5.970 0.806 -11.018 1.00 0.00 C ATOM 1908 C PHE A 125 7.205 0.628 -11.904 1.00 0.00 C ATOM 1909 O PHE A 125 7.114 0.066 -12.995 1.00 0.00 O ATOM 1910 CB PHE A 125 5.073 1.886 -11.626 1.00 0.00 C ATOM 1911 CG PHE A 125 3.711 2.023 -10.942 1.00 0.00 C ATOM 1912 CD1 PHE A 125 2.876 0.951 -10.870 1.00 0.00 C ATOM 1913 CD2 PHE A 125 3.336 3.214 -10.404 1.00 0.00 C ATOM 1914 CE1 PHE A 125 1.613 1.077 -10.235 1.00 0.00 C ATOM 1915 CE2 PHE A 125 2.072 3.340 -9.769 1.00 0.00 C ATOM 1916 CZ PHE A 125 1.238 2.269 -9.698 1.00 0.00 C ATOM 0 H PHE A 125 6.334 2.274 -9.569 1.00 0.00 H new ATOM 0 HA PHE A 125 5.461 -0.155 -10.952 1.00 0.00 H new ATOM 0 HB2 PHE A 125 5.591 2.844 -11.576 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.917 1.662 -12.681 1.00 0.00 H new ATOM 0 HD1 PHE A 125 3.174 0.004 -11.296 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.999 4.064 -10.460 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.950 0.227 -10.178 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.774 4.286 -9.343 1.00 0.00 H new ATOM 0 HZ PHE A 125 0.277 2.365 -9.215 1.00 0.00 H new