USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot 32:sc= -0.623 USER MOD Set 1.2: A 69 SER OG : rot -89:sc= 1.29 USER MOD Set 1.3: A 71 THR OG1 : rot -49:sc= 0.567 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.176 K(o=-0.18,f=-1.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 16 GLN : amide:sc= -7.84! K(o=-7.8!,f=-4.1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc=-0.00565 K(o=-0.0056,f=-0.96) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 170:sc= -0.376 USER MOD Single : A 38 THR OG1 : rot 140:sc= -0.507 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -113:sc= -1.31 (180deg=-5.77!) USER MOD Single : A 47 MET CE :methyl -154:sc= -0.53 (180deg=-0.834) USER MOD Single : A 50 GLN : amide:sc= -0.0935 X(o=-0.093,f=-0.29) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.381 USER MOD Single : A 58 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.23) USER MOD Single : A 60 MET CE :methyl -139:sc= -0.464 (180deg=-3.14!) USER MOD Single : A 80 MET CE :methyl -147:sc= 0 (180deg=-0.17) USER MOD Single : A 81 MET CE :methyl 170:sc= -2.35 (180deg=-2.69) USER MOD ----------------------------------------------------------------- ATOM 65 N TYR A 5 -5.807 7.556 1.210 1.00 0.00 N ATOM 66 CA TYR A 5 -5.438 7.009 -0.099 1.00 0.00 C ATOM 67 C TYR A 5 -6.684 6.836 -0.969 1.00 0.00 C ATOM 68 O TYR A 5 -6.638 7.026 -2.186 1.00 0.00 O ATOM 69 CB TYR A 5 -4.743 5.650 0.054 1.00 0.00 C ATOM 70 CG TYR A 5 -3.512 5.800 0.919 1.00 0.00 C ATOM 71 CD1 TYR A 5 -2.302 6.224 0.353 1.00 0.00 C ATOM 72 CD2 TYR A 5 -3.580 5.517 2.290 1.00 0.00 C ATOM 73 CE1 TYR A 5 -1.166 6.365 1.156 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.444 5.659 3.090 1.00 0.00 C ATOM 75 CZ TYR A 5 -1.238 6.083 2.524 1.00 0.00 C ATOM 76 OH TYR A 5 -0.119 6.222 3.318 1.00 0.00 O ATOM 0 HA TYR A 5 -4.751 7.710 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.428 4.929 0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.465 5.261 -0.926 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.247 6.442 -0.703 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.511 5.189 2.728 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.233 6.692 0.720 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.497 5.441 4.146 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.343 5.987 4.243 1.00 0.00 H new ATOM 86 N LYS A 6 -7.803 6.486 -0.322 1.00 0.00 N ATOM 87 CA LYS A 6 -9.072 6.301 -1.032 1.00 0.00 C ATOM 88 C LYS A 6 -9.627 7.650 -1.498 1.00 0.00 C ATOM 89 O LYS A 6 -10.258 7.744 -2.551 1.00 0.00 O ATOM 90 CB LYS A 6 -10.104 5.620 -0.125 1.00 0.00 C ATOM 91 CG LYS A 6 -10.918 4.605 -0.936 1.00 0.00 C ATOM 92 CD LYS A 6 -10.076 3.350 -1.190 1.00 0.00 C ATOM 93 CE LYS A 6 -10.043 2.486 0.074 1.00 0.00 C ATOM 94 NZ LYS A 6 -8.741 1.762 0.153 1.00 0.00 N ATOM 0 H LYS A 6 -7.854 6.327 0.684 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.881 5.668 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.601 5.119 0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.767 6.367 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -11.828 4.341 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.226 5.046 -1.884 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.495 2.781 -2.020 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.063 3.632 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.177 3.111 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.867 1.772 0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.721 1.176 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.631 1.154 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.962 2.451 0.186 1.00 0.00 H new ATOM 108 N ALA A 7 -9.375 8.695 -0.703 1.00 0.00 N ATOM 109 CA ALA A 7 -9.843 10.039 -1.046 1.00 0.00 C ATOM 110 C ALA A 7 -9.017 10.623 -2.198 1.00 0.00 C ATOM 111 O ALA A 7 -9.489 11.498 -2.921 1.00 0.00 O ATOM 112 CB ALA A 7 -9.739 10.970 0.165 1.00 0.00 C ATOM 0 H ALA A 7 -8.855 8.637 0.173 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.885 9.959 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -10.091 11.964 -0.109 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.351 10.579 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.700 11.030 0.490 1.00 0.00 H new ATOM 118 N ALA A 8 -7.782 10.131 -2.356 1.00 0.00 N ATOM 119 CA ALA A 8 -6.900 10.609 -3.424 1.00 0.00 C ATOM 120 C ALA A 8 -7.165 9.862 -4.732 1.00 0.00 C ATOM 121 O ALA A 8 -7.205 10.467 -5.805 1.00 0.00 O ATOM 122 CB ALA A 8 -5.436 10.415 -3.030 1.00 0.00 C ATOM 0 H ALA A 8 -7.375 9.408 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.106 11.669 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.792 10.775 -3.833 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.227 10.976 -2.119 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.243 9.356 -2.857 1.00 0.00 H new ATOM 128 N VAL A 9 -7.342 8.540 -4.632 1.00 0.00 N ATOM 129 CA VAL A 9 -7.599 7.714 -5.818 1.00 0.00 C ATOM 130 C VAL A 9 -8.911 8.123 -6.504 1.00 0.00 C ATOM 131 O VAL A 9 -9.061 7.959 -7.717 1.00 0.00 O ATOM 132 CB VAL A 9 -7.643 6.220 -5.447 1.00 0.00 C ATOM 133 CG1 VAL A 9 -8.867 5.921 -4.577 1.00 0.00 C ATOM 134 CG2 VAL A 9 -7.708 5.374 -6.724 1.00 0.00 C ATOM 0 H VAL A 9 -7.313 8.023 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.778 7.878 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.741 5.973 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.883 4.861 -4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.816 6.512 -3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -9.774 6.177 -5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.739 4.317 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.605 5.633 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.827 5.569 -7.335 1.00 0.00 H new ATOM 144 N GLU A 10 -9.858 8.664 -5.724 1.00 0.00 N ATOM 145 CA GLU A 10 -11.140 9.095 -6.284 1.00 0.00 C ATOM 146 C GLU A 10 -10.996 10.417 -7.057 1.00 0.00 C ATOM 147 O GLU A 10 -11.858 10.760 -7.868 1.00 0.00 O ATOM 148 CB GLU A 10 -12.184 9.260 -5.173 1.00 0.00 C ATOM 149 CG GLU A 10 -11.763 10.371 -4.207 1.00 0.00 C ATOM 150 CD GLU A 10 -13.002 11.016 -3.595 1.00 0.00 C ATOM 151 OE1 GLU A 10 -13.541 11.921 -4.211 1.00 0.00 O ATOM 152 OE2 GLU A 10 -13.393 10.598 -2.517 1.00 0.00 O ATOM 0 H GLU A 10 -9.760 8.811 -4.719 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.471 8.323 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.154 9.497 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.299 8.322 -4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.128 9.962 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.174 11.121 -4.735 1.00 0.00 H new ATOM 159 N GLN A 11 -9.898 11.150 -6.810 1.00 0.00 N ATOM 160 CA GLN A 11 -9.666 12.424 -7.509 1.00 0.00 C ATOM 161 C GLN A 11 -8.977 12.193 -8.854 1.00 0.00 C ATOM 162 O GLN A 11 -8.996 13.060 -9.729 1.00 0.00 O ATOM 163 CB GLN A 11 -8.788 13.368 -6.676 1.00 0.00 C ATOM 164 CG GLN A 11 -9.097 13.194 -5.189 1.00 0.00 C ATOM 165 CD GLN A 11 -8.458 14.327 -4.386 1.00 0.00 C ATOM 166 OE1 GLN A 11 -8.347 15.457 -4.867 1.00 0.00 O ATOM 167 NE2 GLN A 11 -8.031 14.094 -3.175 1.00 0.00 N ATOM 0 H GLN A 11 -9.170 10.889 -6.145 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.644 12.878 -7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.735 13.159 -6.864 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.966 14.401 -6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.176 13.189 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.719 12.233 -4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.121 13.161 -2.773 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.607 14.845 -2.630 1.00 0.00 H new ATOM 176 N LEU A 12 -8.357 11.015 -8.997 1.00 0.00 N ATOM 177 CA LEU A 12 -7.640 10.654 -10.226 1.00 0.00 C ATOM 178 C LEU A 12 -8.447 10.992 -11.479 1.00 0.00 C ATOM 179 O LEU A 12 -9.666 10.808 -11.525 1.00 0.00 O ATOM 180 CB LEU A 12 -7.336 9.155 -10.251 1.00 0.00 C ATOM 181 CG LEU A 12 -6.390 8.645 -9.159 1.00 0.00 C ATOM 182 CD1 LEU A 12 -5.794 7.308 -9.602 1.00 0.00 C ATOM 183 CD2 LEU A 12 -5.265 9.658 -8.927 1.00 0.00 C ATOM 0 H LEU A 12 -8.338 10.295 -8.275 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.717 11.233 -10.227 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.278 8.612 -10.171 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.906 8.907 -11.222 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.944 8.514 -8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.119 6.937 -8.831 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.596 6.587 -9.760 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.242 7.446 -10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.597 9.288 -8.149 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.704 9.797 -9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.692 10.611 -8.615 1.00 0.00 H new ATOM 195 N THR A 13 -7.736 11.468 -12.502 1.00 0.00 N ATOM 196 CA THR A 13 -8.368 11.815 -13.778 1.00 0.00 C ATOM 197 C THR A 13 -8.537 10.567 -14.638 1.00 0.00 C ATOM 198 O THR A 13 -8.058 9.484 -14.291 1.00 0.00 O ATOM 199 CB THR A 13 -7.523 12.837 -14.556 1.00 0.00 C ATOM 200 OG1 THR A 13 -6.189 12.840 -14.065 1.00 0.00 O ATOM 201 CG2 THR A 13 -8.129 14.232 -14.413 1.00 0.00 C ATOM 0 H THR A 13 -6.728 11.622 -12.474 1.00 0.00 H new ATOM 0 HA THR A 13 -9.341 12.252 -13.555 1.00 0.00 H new ATOM 0 HB THR A 13 -7.514 12.558 -15.610 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.657 13.492 -14.567 1.00 0.00 H new ATOM 0 HG21 THR A 13 -7.524 14.950 -14.967 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.144 14.230 -14.810 1.00 0.00 H new ATOM 0 HG23 THR A 13 -8.151 14.513 -13.360 1.00 0.00 H new ATOM 209 N ASP A 14 -9.204 10.737 -15.778 1.00 0.00 N ATOM 210 CA ASP A 14 -9.413 9.624 -16.701 1.00 0.00 C ATOM 211 C ASP A 14 -8.096 9.268 -17.384 1.00 0.00 C ATOM 212 O ASP A 14 -7.853 8.111 -17.724 1.00 0.00 O ATOM 213 CB ASP A 14 -10.447 9.988 -17.771 1.00 0.00 C ATOM 214 CG ASP A 14 -11.812 10.190 -17.118 1.00 0.00 C ATOM 215 OD1 ASP A 14 -12.497 9.201 -16.903 1.00 0.00 O ATOM 216 OD2 ASP A 14 -12.154 11.328 -16.844 1.00 0.00 O ATOM 0 H ASP A 14 -9.605 11.624 -16.082 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.781 8.772 -16.129 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -10.143 10.897 -18.290 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -10.504 9.198 -18.519 1.00 0.00 H new ATOM 221 N GLU A 15 -7.246 10.285 -17.571 1.00 0.00 N ATOM 222 CA GLU A 15 -5.944 10.081 -18.207 1.00 0.00 C ATOM 223 C GLU A 15 -5.009 9.285 -17.290 1.00 0.00 C ATOM 224 O GLU A 15 -4.203 8.481 -17.762 1.00 0.00 O ATOM 225 CB GLU A 15 -5.306 11.431 -18.561 1.00 0.00 C ATOM 226 CG GLU A 15 -4.818 12.145 -17.294 1.00 0.00 C ATOM 227 CD GLU A 15 -4.889 13.656 -17.496 1.00 0.00 C ATOM 228 OE1 GLU A 15 -3.936 14.211 -18.017 1.00 0.00 O ATOM 229 OE2 GLU A 15 -5.896 14.236 -17.123 1.00 0.00 O ATOM 0 H GLU A 15 -7.436 11.248 -17.293 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.099 9.511 -19.123 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.470 11.277 -19.243 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.031 12.057 -19.082 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.431 11.853 -16.441 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.794 11.846 -17.068 1.00 0.00 H new ATOM 236 N GLN A 16 -5.135 9.506 -15.976 1.00 0.00 N ATOM 237 CA GLN A 16 -4.307 8.791 -15.008 1.00 0.00 C ATOM 238 C GLN A 16 -4.806 7.353 -14.872 1.00 0.00 C ATOM 239 O GLN A 16 -4.032 6.403 -14.999 1.00 0.00 O ATOM 240 CB GLN A 16 -4.348 9.483 -13.639 1.00 0.00 C ATOM 241 CG GLN A 16 -3.016 9.265 -12.909 1.00 0.00 C ATOM 242 CD GLN A 16 -2.769 7.773 -12.724 1.00 0.00 C ATOM 243 OE1 GLN A 16 -1.750 7.249 -13.169 1.00 0.00 O ATOM 244 NE2 GLN A 16 -3.660 7.050 -12.102 1.00 0.00 N ATOM 0 H GLN A 16 -5.795 10.167 -15.566 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.277 8.792 -15.365 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.534 10.550 -13.765 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.169 9.084 -13.044 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.201 9.710 -13.479 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.036 9.763 -11.940 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.505 7.487 -11.734 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.512 6.048 -11.984 1.00 0.00 H new ATOM 253 N LYS A 17 -6.112 7.205 -14.627 1.00 0.00 N ATOM 254 CA LYS A 17 -6.715 5.876 -14.497 1.00 0.00 C ATOM 255 C LYS A 17 -6.397 5.029 -15.735 1.00 0.00 C ATOM 256 O LYS A 17 -6.094 3.842 -15.625 1.00 0.00 O ATOM 257 CB LYS A 17 -8.235 5.984 -14.341 1.00 0.00 C ATOM 258 CG LYS A 17 -8.577 6.443 -12.919 1.00 0.00 C ATOM 259 CD LYS A 17 -9.833 7.319 -12.947 1.00 0.00 C ATOM 260 CE LYS A 17 -11.081 6.439 -12.820 1.00 0.00 C ATOM 261 NZ LYS A 17 -12.184 7.225 -12.198 1.00 0.00 N ATOM 0 H LYS A 17 -6.765 7.980 -14.516 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.298 5.401 -13.609 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.636 6.691 -15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.701 5.020 -14.544 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.740 5.578 -12.277 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.742 7.001 -12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.802 8.042 -12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.871 7.888 -13.876 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.386 6.079 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.859 5.561 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.031 6.627 -12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.891 7.548 -11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.401 8.049 -12.793 1.00 0.00 H new ATOM 275 N ASN A 18 -6.454 5.666 -16.913 1.00 0.00 N ATOM 276 CA ASN A 18 -6.157 4.974 -18.172 1.00 0.00 C ATOM 277 C ASN A 18 -4.674 4.597 -18.245 1.00 0.00 C ATOM 278 O ASN A 18 -4.318 3.567 -18.819 1.00 0.00 O ATOM 279 CB ASN A 18 -6.501 5.865 -19.371 1.00 0.00 C ATOM 280 CG ASN A 18 -7.992 5.751 -19.694 1.00 0.00 C ATOM 281 OD1 ASN A 18 -8.807 5.446 -18.823 1.00 0.00 O ATOM 282 ND2 ASN A 18 -8.402 5.986 -20.912 1.00 0.00 N ATOM 0 H ASN A 18 -6.701 6.650 -17.019 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.764 4.069 -18.204 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.246 6.901 -19.150 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.909 5.569 -20.237 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -9.394 5.917 -21.138 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.730 6.239 -21.636 1.00 0.00 H new ATOM 289 N GLU A 19 -3.819 5.444 -17.655 1.00 0.00 N ATOM 290 CA GLU A 19 -2.373 5.198 -17.648 1.00 0.00 C ATOM 291 C GLU A 19 -2.068 3.805 -17.092 1.00 0.00 C ATOM 292 O GLU A 19 -1.339 3.025 -17.707 1.00 0.00 O ATOM 293 CB GLU A 19 -1.656 6.248 -16.788 1.00 0.00 C ATOM 294 CG GLU A 19 -0.141 6.089 -16.924 1.00 0.00 C ATOM 295 CD GLU A 19 0.559 7.177 -16.116 1.00 0.00 C ATOM 296 OE1 GLU A 19 0.744 6.979 -14.926 1.00 0.00 O ATOM 297 OE2 GLU A 19 0.900 8.194 -16.698 1.00 0.00 O ATOM 0 H GLU A 19 -4.103 6.300 -17.179 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.016 5.263 -18.676 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.954 7.249 -17.098 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.949 6.137 -15.744 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.165 5.105 -16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.150 6.156 -17.972 1.00 0.00 H new ATOM 304 N PHE A 20 -2.643 3.502 -15.924 1.00 0.00 N ATOM 305 CA PHE A 20 -2.432 2.200 -15.294 1.00 0.00 C ATOM 306 C PHE A 20 -3.278 1.129 -15.980 1.00 0.00 C ATOM 307 O PHE A 20 -2.793 0.039 -16.264 1.00 0.00 O ATOM 308 CB PHE A 20 -2.811 2.248 -13.813 1.00 0.00 C ATOM 309 CG PHE A 20 -1.680 2.853 -13.011 1.00 0.00 C ATOM 310 CD1 PHE A 20 -1.629 4.236 -12.802 1.00 0.00 C ATOM 311 CD2 PHE A 20 -0.692 2.028 -12.465 1.00 0.00 C ATOM 312 CE1 PHE A 20 -0.590 4.792 -12.049 1.00 0.00 C ATOM 313 CE2 PHE A 20 0.349 2.582 -11.714 1.00 0.00 C ATOM 314 CZ PHE A 20 0.400 3.965 -11.502 1.00 0.00 C ATOM 0 H PHE A 20 -3.251 4.134 -15.403 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.375 1.953 -15.393 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.718 2.837 -13.680 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.028 1.243 -13.451 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.392 4.874 -13.222 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.733 0.961 -12.624 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.551 5.859 -11.889 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.114 1.943 -11.297 1.00 0.00 H new ATOM 0 HZ PHE A 20 1.201 4.394 -10.918 1.00 0.00 H new ATOM 324 N LYS A 21 -4.551 1.455 -16.236 1.00 0.00 N ATOM 325 CA LYS A 21 -5.472 0.510 -16.884 1.00 0.00 C ATOM 326 C LYS A 21 -4.879 -0.052 -18.182 1.00 0.00 C ATOM 327 O LYS A 21 -5.092 -1.219 -18.509 1.00 0.00 O ATOM 328 CB LYS A 21 -6.811 1.195 -17.188 1.00 0.00 C ATOM 329 CG LYS A 21 -7.803 0.175 -17.764 1.00 0.00 C ATOM 330 CD LYS A 21 -7.861 0.313 -19.290 1.00 0.00 C ATOM 331 CE LYS A 21 -8.975 1.291 -19.678 1.00 0.00 C ATOM 332 NZ LYS A 21 -10.259 0.550 -19.840 1.00 0.00 N ATOM 0 H LYS A 21 -4.965 2.358 -16.007 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.633 -0.317 -16.193 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.218 1.637 -16.278 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.660 2.009 -17.897 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.499 -0.836 -17.492 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.793 0.335 -17.337 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.903 0.669 -19.669 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.043 -0.660 -19.746 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.081 2.059 -18.912 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.718 1.800 -20.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.013 1.216 -20.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.154 -0.167 -20.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.506 0.084 -18.944 1.00 0.00 H new ATOM 346 N ALA A 22 -4.128 0.782 -18.911 1.00 0.00 N ATOM 347 CA ALA A 22 -3.505 0.342 -20.164 1.00 0.00 C ATOM 348 C ALA A 22 -2.536 -0.808 -19.892 1.00 0.00 C ATOM 349 O ALA A 22 -2.641 -1.880 -20.490 1.00 0.00 O ATOM 350 CB ALA A 22 -2.740 1.494 -20.819 1.00 0.00 C ATOM 0 H ALA A 22 -3.939 1.752 -18.659 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.295 0.008 -20.837 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.285 1.148 -21.747 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.428 2.311 -21.035 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.961 1.845 -20.142 1.00 0.00 H new ATOM 356 N ALA A 23 -1.603 -0.573 -18.963 1.00 0.00 N ATOM 357 CA ALA A 23 -0.623 -1.591 -18.584 1.00 0.00 C ATOM 358 C ALA A 23 -1.319 -2.751 -17.874 1.00 0.00 C ATOM 359 O ALA A 23 -0.925 -3.908 -18.010 1.00 0.00 O ATOM 360 CB ALA A 23 0.434 -0.996 -17.648 1.00 0.00 C ATOM 0 H ALA A 23 -1.508 0.311 -18.462 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.139 -1.952 -19.491 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.155 -1.767 -17.376 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.949 -0.179 -18.154 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.049 -0.617 -16.747 1.00 0.00 H new ATOM 366 N PHE A 24 -2.369 -2.423 -17.120 1.00 0.00 N ATOM 367 CA PHE A 24 -3.135 -3.429 -16.392 1.00 0.00 C ATOM 368 C PHE A 24 -3.787 -4.412 -17.364 1.00 0.00 C ATOM 369 O PHE A 24 -3.748 -5.620 -17.156 1.00 0.00 O ATOM 370 CB PHE A 24 -4.229 -2.754 -15.554 1.00 0.00 C ATOM 371 CG PHE A 24 -4.718 -3.699 -14.481 1.00 0.00 C ATOM 372 CD1 PHE A 24 -5.649 -4.696 -14.794 1.00 0.00 C ATOM 373 CD2 PHE A 24 -4.241 -3.575 -13.172 1.00 0.00 C ATOM 374 CE1 PHE A 24 -6.102 -5.566 -13.797 1.00 0.00 C ATOM 375 CE2 PHE A 24 -4.692 -4.444 -12.178 1.00 0.00 C ATOM 376 CZ PHE A 24 -5.623 -5.439 -12.488 1.00 0.00 C ATOM 0 H PHE A 24 -2.706 -1.468 -16.999 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.452 -3.970 -15.737 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.839 -1.844 -15.098 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.059 -2.459 -16.196 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.017 -4.793 -15.805 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.523 -2.806 -12.930 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -6.821 -6.335 -14.037 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.321 -4.348 -11.168 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.973 -6.110 -11.717 1.00 0.00 H new ATOM 386 N ASP A 25 -4.393 -3.869 -18.423 1.00 0.00 N ATOM 387 CA ASP A 25 -5.074 -4.694 -19.428 1.00 0.00 C ATOM 388 C ASP A 25 -4.114 -5.666 -20.121 1.00 0.00 C ATOM 389 O ASP A 25 -4.467 -6.820 -20.370 1.00 0.00 O ATOM 390 CB ASP A 25 -5.729 -3.809 -20.494 1.00 0.00 C ATOM 391 CG ASP A 25 -7.215 -4.139 -20.587 1.00 0.00 C ATOM 392 OD1 ASP A 25 -7.550 -5.082 -21.284 1.00 0.00 O ATOM 393 OD2 ASP A 25 -7.996 -3.443 -19.959 1.00 0.00 O ATOM 0 H ASP A 25 -4.427 -2.866 -18.608 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.832 -5.271 -18.899 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -5.594 -2.757 -20.241 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.249 -3.969 -21.460 1.00 0.00 H new ATOM 398 N ILE A 26 -2.910 -5.188 -20.447 1.00 0.00 N ATOM 399 CA ILE A 26 -1.922 -6.030 -21.136 1.00 0.00 C ATOM 400 C ILE A 26 -1.300 -7.063 -20.189 1.00 0.00 C ATOM 401 O ILE A 26 -1.075 -8.209 -20.581 1.00 0.00 O ATOM 402 CB ILE A 26 -0.808 -5.177 -21.772 1.00 0.00 C ATOM 403 CG1 ILE A 26 -0.139 -4.295 -20.707 1.00 0.00 C ATOM 404 CG2 ILE A 26 -1.412 -4.287 -22.862 1.00 0.00 C ATOM 405 CD1 ILE A 26 1.006 -3.494 -21.333 1.00 0.00 C ATOM 0 H ILE A 26 -2.597 -4.238 -20.250 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.456 -6.560 -21.924 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.058 -5.839 -22.206 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.873 -3.617 -20.272 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.242 -4.916 -19.896 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.626 -3.682 -23.314 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.875 -4.911 -23.626 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.165 -3.634 -22.422 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.474 -2.872 -20.570 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.746 -4.179 -21.747 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.614 -2.860 -22.128 1.00 0.00 H new ATOM 417 N PHE A 27 -1.021 -6.654 -18.945 1.00 0.00 N ATOM 418 CA PHE A 27 -0.419 -7.569 -17.969 1.00 0.00 C ATOM 419 C PHE A 27 -1.419 -8.641 -17.517 1.00 0.00 C ATOM 420 O PHE A 27 -1.032 -9.783 -17.261 1.00 0.00 O ATOM 421 CB PHE A 27 0.103 -6.802 -16.745 1.00 0.00 C ATOM 422 CG PHE A 27 1.317 -5.979 -17.136 1.00 0.00 C ATOM 423 CD1 PHE A 27 2.314 -6.533 -17.955 1.00 0.00 C ATOM 424 CD2 PHE A 27 1.440 -4.659 -16.688 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.424 -5.765 -18.324 1.00 0.00 C ATOM 426 CE2 PHE A 27 2.553 -3.894 -17.058 1.00 0.00 C ATOM 427 CZ PHE A 27 3.544 -4.446 -17.876 1.00 0.00 C ATOM 0 H PHE A 27 -1.199 -5.712 -18.595 1.00 0.00 H new ATOM 0 HA PHE A 27 0.419 -8.061 -18.463 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.678 -6.151 -16.351 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.366 -7.501 -15.951 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.224 -7.552 -18.300 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.676 -4.230 -16.057 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.189 -6.192 -18.956 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.646 -2.876 -16.711 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.401 -3.854 -18.161 1.00 0.00 H new ATOM 437 N ILE A 28 -2.707 -8.277 -17.434 1.00 0.00 N ATOM 438 CA ILE A 28 -3.736 -9.247 -17.023 1.00 0.00 C ATOM 439 C ILE A 28 -4.426 -9.885 -18.241 1.00 0.00 C ATOM 440 O ILE A 28 -5.356 -10.678 -18.085 1.00 0.00 O ATOM 441 CB ILE A 28 -4.806 -8.591 -16.128 1.00 0.00 C ATOM 442 CG1 ILE A 28 -5.683 -7.637 -16.953 1.00 0.00 C ATOM 443 CG2 ILE A 28 -4.131 -7.816 -14.996 1.00 0.00 C ATOM 444 CD1 ILE A 28 -6.945 -8.370 -17.416 1.00 0.00 C ATOM 0 H ILE A 28 -3.057 -7.341 -17.640 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.222 -10.022 -16.455 1.00 0.00 H new ATOM 0 HB ILE A 28 -5.436 -9.375 -15.707 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.954 -6.767 -16.355 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.127 -7.270 -17.815 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.892 -7.355 -14.367 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.529 -8.499 -14.396 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.490 -7.042 -15.417 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.566 -7.692 -18.001 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.664 -9.226 -18.030 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.505 -8.715 -16.547 1.00 0.00 H new ATOM 456 N GLN A 29 -3.965 -9.533 -19.452 1.00 0.00 N ATOM 457 CA GLN A 29 -4.548 -10.078 -20.685 1.00 0.00 C ATOM 458 C GLN A 29 -4.641 -11.607 -20.630 1.00 0.00 C ATOM 459 O GLN A 29 -5.644 -12.193 -21.041 1.00 0.00 O ATOM 460 CB GLN A 29 -3.697 -9.673 -21.896 1.00 0.00 C ATOM 461 CG GLN A 29 -4.285 -10.282 -23.171 1.00 0.00 C ATOM 462 CD GLN A 29 -3.810 -9.487 -24.384 1.00 0.00 C ATOM 463 OE1 GLN A 29 -2.908 -9.919 -25.101 1.00 0.00 O ATOM 464 NE2 GLN A 29 -4.369 -8.339 -24.658 1.00 0.00 N ATOM 0 H GLN A 29 -3.197 -8.879 -19.602 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.554 -9.669 -20.782 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.665 -8.587 -21.982 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.670 -10.012 -21.760 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.978 -11.324 -23.263 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.374 -10.274 -23.122 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.117 -7.981 -24.064 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.058 -7.800 -25.466 1.00 0.00 H new ATOM 473 N ASP A 30 -3.585 -12.242 -20.116 1.00 0.00 N ATOM 474 CA ASP A 30 -3.553 -13.704 -20.009 1.00 0.00 C ATOM 475 C ASP A 30 -3.866 -14.174 -18.579 1.00 0.00 C ATOM 476 O ASP A 30 -3.584 -15.319 -18.218 1.00 0.00 O ATOM 477 CB ASP A 30 -2.173 -14.233 -20.421 1.00 0.00 C ATOM 478 CG ASP A 30 -2.332 -15.556 -21.167 1.00 0.00 C ATOM 479 OD1 ASP A 30 -2.632 -15.516 -22.349 1.00 0.00 O ATOM 480 OD2 ASP A 30 -2.150 -16.589 -20.544 1.00 0.00 O ATOM 0 H ASP A 30 -2.748 -11.773 -19.770 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.319 -14.098 -20.678 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.668 -13.505 -21.056 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.549 -14.374 -19.539 1.00 0.00 H new ATOM 485 N ALA A 31 -4.457 -13.285 -17.769 1.00 0.00 N ATOM 486 CA ALA A 31 -4.805 -13.627 -16.390 1.00 0.00 C ATOM 487 C ALA A 31 -6.286 -13.985 -16.284 1.00 0.00 C ATOM 488 O ALA A 31 -7.116 -13.498 -17.056 1.00 0.00 O ATOM 489 CB ALA A 31 -4.506 -12.455 -15.452 1.00 0.00 C ATOM 0 H ALA A 31 -4.701 -12.334 -18.044 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.202 -14.487 -16.097 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.772 -12.729 -14.431 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.444 -12.214 -15.498 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.089 -11.586 -15.758 1.00 0.00 H new ATOM 495 N GLU A 32 -6.601 -14.847 -15.317 1.00 0.00 N ATOM 496 CA GLU A 32 -7.985 -15.283 -15.102 1.00 0.00 C ATOM 497 C GLU A 32 -8.614 -14.578 -13.894 1.00 0.00 C ATOM 498 O GLU A 32 -9.837 -14.444 -13.816 1.00 0.00 O ATOM 499 CB GLU A 32 -8.037 -16.796 -14.871 1.00 0.00 C ATOM 500 CG GLU A 32 -7.950 -17.528 -16.215 1.00 0.00 C ATOM 501 CD GLU A 32 -9.309 -17.487 -16.910 1.00 0.00 C ATOM 502 OE1 GLU A 32 -10.128 -18.343 -16.620 1.00 0.00 O ATOM 503 OE2 GLU A 32 -9.510 -16.600 -17.724 1.00 0.00 O ATOM 0 H GLU A 32 -5.924 -15.256 -14.673 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.549 -15.022 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.215 -17.103 -14.225 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.961 -17.064 -14.359 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.193 -17.062 -16.846 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.642 -18.562 -16.058 1.00 0.00 H new ATOM 510 N ASP A 33 -7.773 -14.138 -12.951 1.00 0.00 N ATOM 511 CA ASP A 33 -8.264 -13.459 -11.747 1.00 0.00 C ATOM 512 C ASP A 33 -8.573 -11.985 -12.022 1.00 0.00 C ATOM 513 O ASP A 33 -9.497 -11.418 -11.437 1.00 0.00 O ATOM 514 CB ASP A 33 -7.227 -13.550 -10.624 1.00 0.00 C ATOM 515 CG ASP A 33 -7.191 -14.974 -10.073 1.00 0.00 C ATOM 516 OD1 ASP A 33 -7.940 -15.251 -9.151 1.00 0.00 O ATOM 517 OD2 ASP A 33 -6.417 -15.767 -10.584 1.00 0.00 O ATOM 0 H ASP A 33 -6.759 -14.239 -12.997 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.184 -13.959 -11.444 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.243 -13.270 -11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.475 -12.848 -9.828 1.00 0.00 H new ATOM 522 N GLY A 34 -7.785 -11.367 -12.909 1.00 0.00 N ATOM 523 CA GLY A 34 -7.981 -9.955 -13.244 1.00 0.00 C ATOM 524 C GLY A 34 -7.039 -9.074 -12.424 1.00 0.00 C ATOM 525 O GLY A 34 -7.445 -8.050 -11.873 1.00 0.00 O ATOM 0 H GLY A 34 -7.014 -11.818 -13.402 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.800 -9.799 -14.308 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.015 -9.670 -13.051 1.00 0.00 H new ATOM 529 N CYS A 35 -5.775 -9.496 -12.353 1.00 0.00 N ATOM 530 CA CYS A 35 -4.758 -8.758 -11.602 1.00 0.00 C ATOM 531 C CYS A 35 -3.378 -9.014 -12.205 1.00 0.00 C ATOM 532 O CYS A 35 -3.136 -10.065 -12.807 1.00 0.00 O ATOM 533 CB CYS A 35 -4.753 -9.186 -10.129 1.00 0.00 C ATOM 534 SG CYS A 35 -4.806 -10.993 -10.015 1.00 0.00 S ATOM 0 H CYS A 35 -5.432 -10.343 -12.806 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.995 -7.696 -11.661 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.859 -8.807 -9.634 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.610 -8.755 -9.612 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.190 -11.510 -11.036 1.00 0.00 H new ATOM 540 N ILE A 36 -2.475 -8.049 -12.036 1.00 0.00 N ATOM 541 CA ILE A 36 -1.120 -8.190 -12.572 1.00 0.00 C ATOM 542 C ILE A 36 -0.232 -8.908 -11.556 1.00 0.00 C ATOM 543 O ILE A 36 -0.619 -9.094 -10.402 1.00 0.00 O ATOM 544 CB ILE A 36 -0.507 -6.820 -12.926 1.00 0.00 C ATOM 545 CG1 ILE A 36 -0.105 -6.072 -11.649 1.00 0.00 C ATOM 546 CG2 ILE A 36 -1.524 -5.978 -13.706 1.00 0.00 C ATOM 547 CD1 ILE A 36 1.407 -6.193 -11.446 1.00 0.00 C ATOM 0 H ILE A 36 -2.651 -7.175 -11.541 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.180 -8.778 -13.488 1.00 0.00 H new ATOM 0 HB ILE A 36 0.379 -6.985 -13.540 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.391 -5.023 -11.723 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.633 -6.486 -10.790 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.084 -5.012 -13.952 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.798 -6.497 -14.625 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.415 -5.826 -13.096 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.696 -5.662 -10.539 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.679 -7.245 -11.353 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.925 -5.759 -12.301 1.00 0.00 H new ATOM 559 N SER A 37 0.958 -9.315 -11.994 1.00 0.00 N ATOM 560 CA SER A 37 1.884 -10.018 -11.109 1.00 0.00 C ATOM 561 C SER A 37 2.840 -9.038 -10.429 1.00 0.00 C ATOM 562 O SER A 37 3.642 -8.377 -11.090 1.00 0.00 O ATOM 563 CB SER A 37 2.698 -11.051 -11.890 1.00 0.00 C ATOM 564 OG SER A 37 2.825 -12.233 -11.112 1.00 0.00 O ATOM 0 H SER A 37 1.301 -9.172 -12.944 1.00 0.00 H new ATOM 0 HA SER A 37 1.290 -10.524 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.208 -11.276 -12.837 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.683 -10.650 -12.128 1.00 0.00 H new ATOM 0 HG SER A 37 3.202 -12.949 -11.664 1.00 0.00 H new ATOM 570 N THR A 38 2.748 -8.964 -9.098 1.00 0.00 N ATOM 571 CA THR A 38 3.618 -8.075 -8.313 1.00 0.00 C ATOM 572 C THR A 38 5.088 -8.379 -8.610 1.00 0.00 C ATOM 573 O THR A 38 5.911 -7.471 -8.733 1.00 0.00 O ATOM 574 CB THR A 38 3.369 -8.256 -6.811 1.00 0.00 C ATOM 575 OG1 THR A 38 3.607 -9.610 -6.448 1.00 0.00 O ATOM 576 CG2 THR A 38 1.922 -7.885 -6.480 1.00 0.00 C ATOM 0 H THR A 38 2.085 -9.504 -8.542 1.00 0.00 H new ATOM 0 HA THR A 38 3.387 -7.047 -8.594 1.00 0.00 H new ATOM 0 HB THR A 38 4.045 -7.607 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 38 4.068 -9.641 -5.584 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.748 -8.015 -5.412 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.741 -6.845 -6.753 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.244 -8.530 -7.039 1.00 0.00 H new ATOM 584 N LYS A 39 5.404 -9.672 -8.738 1.00 0.00 N ATOM 585 CA LYS A 39 6.777 -10.091 -9.041 1.00 0.00 C ATOM 586 C LYS A 39 7.197 -9.591 -10.431 1.00 0.00 C ATOM 587 O LYS A 39 8.384 -9.391 -10.695 1.00 0.00 O ATOM 588 CB LYS A 39 6.908 -11.621 -8.988 1.00 0.00 C ATOM 589 CG LYS A 39 5.959 -12.273 -10.003 1.00 0.00 C ATOM 590 CD LYS A 39 5.159 -13.387 -9.320 1.00 0.00 C ATOM 591 CE LYS A 39 6.058 -14.608 -9.098 1.00 0.00 C ATOM 592 NZ LYS A 39 5.625 -15.326 -7.864 1.00 0.00 N ATOM 0 H LYS A 39 4.738 -10.438 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 39 7.432 -9.654 -8.287 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.936 -11.912 -9.202 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.678 -11.978 -7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.281 -11.525 -10.414 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.529 -12.681 -10.838 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.767 -13.034 -8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.302 -13.662 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.003 -15.275 -9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 39 7.098 -14.295 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.235 -16.155 -7.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.700 -14.687 -7.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.638 -15.637 -7.971 1.00 0.00 H new ATOM 606 N GLU A 40 6.206 -9.379 -11.308 1.00 0.00 N ATOM 607 CA GLU A 40 6.472 -8.887 -12.661 1.00 0.00 C ATOM 608 C GLU A 40 6.195 -7.378 -12.763 1.00 0.00 C ATOM 609 O GLU A 40 6.090 -6.833 -13.864 1.00 0.00 O ATOM 610 CB GLU A 40 5.598 -9.625 -13.681 1.00 0.00 C ATOM 611 CG GLU A 40 6.000 -11.103 -13.736 1.00 0.00 C ATOM 612 CD GLU A 40 7.117 -11.293 -14.759 1.00 0.00 C ATOM 613 OE1 GLU A 40 6.803 -11.514 -15.917 1.00 0.00 O ATOM 614 OE2 GLU A 40 8.269 -11.213 -14.368 1.00 0.00 O ATOM 0 H GLU A 40 5.220 -9.540 -11.104 1.00 0.00 H new ATOM 0 HA GLU A 40 7.524 -9.072 -12.878 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.547 -9.534 -13.406 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.710 -9.171 -14.666 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.333 -11.436 -12.753 1.00 0.00 H new ATOM 0 HG3 GLU A 40 5.139 -11.715 -14.005 1.00 0.00 H new ATOM 621 N LEU A 41 6.088 -6.705 -11.603 1.00 0.00 N ATOM 622 CA LEU A 41 5.837 -5.260 -11.575 1.00 0.00 C ATOM 623 C LEU A 41 6.973 -4.496 -12.266 1.00 0.00 C ATOM 624 O LEU A 41 6.780 -3.369 -12.708 1.00 0.00 O ATOM 625 CB LEU A 41 5.697 -4.763 -10.126 1.00 0.00 C ATOM 626 CG LEU A 41 4.851 -3.492 -9.916 1.00 0.00 C ATOM 627 CD1 LEU A 41 5.648 -2.255 -10.341 1.00 0.00 C ATOM 628 CD2 LEU A 41 3.558 -3.574 -10.737 1.00 0.00 C ATOM 0 H LEU A 41 6.171 -7.137 -10.683 1.00 0.00 H new ATOM 0 HA LEU A 41 4.906 -5.074 -12.111 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.262 -5.565 -9.530 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.696 -4.578 -9.730 1.00 0.00 H new ATOM 0 HG LEU A 41 4.599 -3.413 -8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.042 -1.362 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.556 -2.184 -9.742 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.914 -2.338 -11.395 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.969 -2.670 -10.580 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.804 -3.668 -11.795 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.981 -4.443 -10.421 1.00 0.00 H new ATOM 640 N GLY A 42 8.157 -5.124 -12.364 1.00 0.00 N ATOM 641 CA GLY A 42 9.308 -4.490 -13.018 1.00 0.00 C ATOM 642 C GLY A 42 8.954 -4.022 -14.435 1.00 0.00 C ATOM 643 O GLY A 42 9.445 -2.990 -14.896 1.00 0.00 O ATOM 0 H GLY A 42 8.339 -6.060 -12.002 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.643 -3.639 -12.425 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.138 -5.195 -13.062 1.00 0.00 H new ATOM 647 N LYS A 43 8.085 -4.788 -15.112 1.00 0.00 N ATOM 648 CA LYS A 43 7.652 -4.443 -16.473 1.00 0.00 C ATOM 649 C LYS A 43 6.822 -3.154 -16.467 1.00 0.00 C ATOM 650 O LYS A 43 6.790 -2.417 -17.453 1.00 0.00 O ATOM 651 CB LYS A 43 6.799 -5.568 -17.072 1.00 0.00 C ATOM 652 CG LYS A 43 7.615 -6.861 -17.143 1.00 0.00 C ATOM 653 CD LYS A 43 6.685 -8.037 -17.454 1.00 0.00 C ATOM 654 CE LYS A 43 6.732 -8.348 -18.952 1.00 0.00 C ATOM 655 NZ LYS A 43 5.732 -9.406 -19.274 1.00 0.00 N ATOM 0 H LYS A 43 7.671 -5.644 -14.742 1.00 0.00 H new ATOM 0 HA LYS A 43 8.549 -4.300 -17.076 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.908 -5.723 -16.464 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.460 -5.287 -18.069 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.382 -6.777 -17.913 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.129 -7.031 -16.197 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.987 -8.914 -16.881 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.665 -7.796 -17.154 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.521 -7.447 -19.528 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.731 -8.680 -19.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.765 -9.616 -20.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.952 -10.268 -18.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.780 -9.073 -19.020 1.00 0.00 H new ATOM 669 N VAL A 44 6.159 -2.895 -15.336 1.00 0.00 N ATOM 670 CA VAL A 44 5.330 -1.699 -15.181 1.00 0.00 C ATOM 671 C VAL A 44 6.156 -0.573 -14.569 1.00 0.00 C ATOM 672 O VAL A 44 5.993 0.591 -14.922 1.00 0.00 O ATOM 673 CB VAL A 44 4.119 -1.965 -14.269 1.00 0.00 C ATOM 674 CG1 VAL A 44 2.919 -1.169 -14.785 1.00 0.00 C ATOM 675 CG2 VAL A 44 3.773 -3.462 -14.255 1.00 0.00 C ATOM 0 H VAL A 44 6.181 -3.499 -14.514 1.00 0.00 H new ATOM 0 HA VAL A 44 4.972 -1.418 -16.171 1.00 0.00 H new ATOM 0 HB VAL A 44 4.365 -1.655 -13.253 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.057 -1.353 -14.143 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.157 -0.105 -14.777 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.686 -1.481 -15.803 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.914 -3.631 -13.605 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.532 -3.789 -15.266 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.626 -4.029 -13.884 1.00 0.00 H new ATOM 685 N MET A 45 7.054 -0.943 -13.651 1.00 0.00 N ATOM 686 CA MET A 45 7.925 0.024 -12.990 1.00 0.00 C ATOM 687 C MET A 45 8.698 0.827 -14.039 1.00 0.00 C ATOM 688 O MET A 45 8.826 2.048 -13.930 1.00 0.00 O ATOM 689 CB MET A 45 8.897 -0.716 -12.050 1.00 0.00 C ATOM 690 CG MET A 45 10.193 0.076 -11.857 1.00 0.00 C ATOM 691 SD MET A 45 11.475 -0.587 -12.953 1.00 0.00 S ATOM 692 CE MET A 45 11.846 -2.085 -12.006 1.00 0.00 C ATOM 0 H MET A 45 7.194 -1.908 -13.351 1.00 0.00 H new ATOM 0 HA MET A 45 7.323 0.715 -12.400 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.420 -0.878 -11.084 1.00 0.00 H new ATOM 0 HB3 MET A 45 9.127 -1.699 -12.461 1.00 0.00 H new ATOM 0 HG2 MET A 45 10.023 1.130 -12.075 1.00 0.00 H new ATOM 0 HG3 MET A 45 10.519 0.013 -10.819 1.00 0.00 H new ATOM 0 HE1 MET A 45 12.856 -2.019 -11.602 1.00 0.00 H new ATOM 0 HE2 MET A 45 11.133 -2.184 -11.187 1.00 0.00 H new ATOM 0 HE3 MET A 45 11.773 -2.955 -12.658 1.00 0.00 H new ATOM 702 N ARG A 46 9.191 0.127 -15.064 1.00 0.00 N ATOM 703 CA ARG A 46 9.935 0.784 -16.142 1.00 0.00 C ATOM 704 C ARG A 46 8.990 1.589 -17.045 1.00 0.00 C ATOM 705 O ARG A 46 9.393 2.586 -17.646 1.00 0.00 O ATOM 706 CB ARG A 46 10.691 -0.249 -16.986 1.00 0.00 C ATOM 707 CG ARG A 46 9.715 -1.278 -17.573 1.00 0.00 C ATOM 708 CD ARG A 46 10.004 -1.471 -19.063 1.00 0.00 C ATOM 709 NE ARG A 46 9.197 -2.566 -19.608 1.00 0.00 N ATOM 710 CZ ARG A 46 9.521 -3.853 -19.411 1.00 0.00 C ATOM 711 NH1 ARG A 46 10.589 -4.181 -18.721 1.00 0.00 N ATOM 712 NH2 ARG A 46 8.762 -4.793 -19.914 1.00 0.00 N ATOM 0 H ARG A 46 9.090 -0.882 -15.170 1.00 0.00 H new ATOM 0 HA ARG A 46 10.652 1.464 -15.683 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.228 0.253 -17.791 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.436 -0.754 -16.372 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.813 -2.228 -17.048 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.688 -0.941 -17.433 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.788 -0.549 -19.603 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.063 -1.685 -19.209 1.00 0.00 H new ATOM 0 HE ARG A 46 8.364 -2.343 -20.153 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.185 -3.453 -18.327 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.823 -5.164 -18.579 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.931 -4.545 -20.451 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.001 -5.774 -19.769 1.00 0.00 H new ATOM 726 N MET A 47 7.731 1.145 -17.124 1.00 0.00 N ATOM 727 CA MET A 47 6.726 1.826 -17.946 1.00 0.00 C ATOM 728 C MET A 47 6.202 3.085 -17.244 1.00 0.00 C ATOM 729 O MET A 47 5.837 4.063 -17.898 1.00 0.00 O ATOM 730 CB MET A 47 5.549 0.887 -18.235 1.00 0.00 C ATOM 731 CG MET A 47 5.934 -0.090 -19.350 1.00 0.00 C ATOM 732 SD MET A 47 5.896 0.763 -20.947 1.00 0.00 S ATOM 733 CE MET A 47 7.680 0.762 -21.251 1.00 0.00 C ATOM 0 H MET A 47 7.385 0.321 -16.631 1.00 0.00 H new ATOM 0 HA MET A 47 7.204 2.115 -18.882 1.00 0.00 H new ATOM 0 HB2 MET A 47 5.279 0.338 -17.333 1.00 0.00 H new ATOM 0 HB3 MET A 47 4.673 1.465 -18.530 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.930 -0.493 -19.166 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.245 -0.934 -19.361 1.00 0.00 H new ATOM 0 HE1 MET A 47 7.939 1.597 -21.902 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.210 0.863 -20.304 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.967 -0.174 -21.730 1.00 0.00 H new ATOM 743 N LEU A 48 6.176 3.050 -15.906 1.00 0.00 N ATOM 744 CA LEU A 48 5.705 4.191 -15.117 1.00 0.00 C ATOM 745 C LEU A 48 6.743 5.315 -15.135 1.00 0.00 C ATOM 746 O LEU A 48 6.399 6.495 -15.043 1.00 0.00 O ATOM 747 CB LEU A 48 5.453 3.770 -13.664 1.00 0.00 C ATOM 748 CG LEU A 48 4.011 3.355 -13.333 1.00 0.00 C ATOM 749 CD1 LEU A 48 3.472 2.415 -14.417 1.00 0.00 C ATOM 750 CD2 LEU A 48 3.991 2.635 -11.983 1.00 0.00 C ATOM 0 H LEU A 48 6.474 2.248 -15.351 1.00 0.00 H new ATOM 0 HA LEU A 48 4.774 4.546 -15.559 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.115 2.938 -13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.733 4.597 -13.011 1.00 0.00 H new ATOM 0 HG LEU A 48 3.383 4.245 -13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.450 2.127 -14.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.485 2.925 -15.380 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.097 1.524 -14.470 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.970 2.339 -11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.624 1.749 -12.034 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.365 3.304 -11.208 1.00 0.00 H new ATOM 762 N GLY A 49 8.016 4.928 -15.260 1.00 0.00 N ATOM 763 CA GLY A 49 9.112 5.900 -15.299 1.00 0.00 C ATOM 764 C GLY A 49 10.068 5.722 -14.117 1.00 0.00 C ATOM 765 O GLY A 49 10.690 6.686 -13.666 1.00 0.00 O ATOM 0 H GLY A 49 8.312 3.955 -15.335 1.00 0.00 H new ATOM 0 HA2 GLY A 49 9.663 5.790 -16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.703 6.910 -15.288 1.00 0.00 H new ATOM 769 N GLN A 50 10.187 4.484 -13.622 1.00 0.00 N ATOM 770 CA GLN A 50 11.077 4.196 -12.495 1.00 0.00 C ATOM 771 C GLN A 50 12.040 3.062 -12.851 1.00 0.00 C ATOM 772 O GLN A 50 11.818 2.320 -13.810 1.00 0.00 O ATOM 773 CB GLN A 50 10.272 3.786 -11.252 1.00 0.00 C ATOM 774 CG GLN A 50 9.174 4.819 -10.963 1.00 0.00 C ATOM 775 CD GLN A 50 9.803 6.161 -10.589 1.00 0.00 C ATOM 776 OE1 GLN A 50 10.712 6.222 -9.758 1.00 0.00 O ATOM 777 NE2 GLN A 50 9.365 7.254 -11.155 1.00 0.00 N ATOM 0 H GLN A 50 9.683 3.674 -13.981 1.00 0.00 H new ATOM 0 HA GLN A 50 11.639 5.105 -12.279 1.00 0.00 H new ATOM 0 HB2 GLN A 50 9.825 2.804 -11.408 1.00 0.00 H new ATOM 0 HB3 GLN A 50 10.936 3.701 -10.392 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.536 4.939 -11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.537 4.468 -10.151 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.613 7.206 -11.843 1.00 0.00 H new ATOM 0 HE22 GLN A 50 9.775 8.155 -10.909 1.00 0.00 H new ATOM 786 N ASN A 51 13.111 2.936 -12.063 1.00 0.00 N ATOM 787 CA ASN A 51 14.105 1.885 -12.297 1.00 0.00 C ATOM 788 C ASN A 51 14.862 1.558 -10.998 1.00 0.00 C ATOM 789 O ASN A 51 16.077 1.751 -10.906 1.00 0.00 O ATOM 790 CB ASN A 51 15.098 2.326 -13.380 1.00 0.00 C ATOM 791 CG ASN A 51 15.773 1.102 -13.993 1.00 0.00 C ATOM 792 OD1 ASN A 51 15.118 0.281 -14.636 1.00 0.00 O ATOM 793 ND2 ASN A 51 17.057 0.928 -13.831 1.00 0.00 N ATOM 0 H ASN A 51 13.311 3.541 -11.266 1.00 0.00 H new ATOM 0 HA ASN A 51 13.584 0.989 -12.634 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.579 2.892 -14.154 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.849 2.989 -12.950 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.516 0.113 -14.237 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.601 1.607 -13.299 1.00 0.00 H new ATOM 800 N PRO A 52 14.143 1.056 -9.980 1.00 0.00 N ATOM 801 CA PRO A 52 14.743 0.699 -8.679 1.00 0.00 C ATOM 802 C PRO A 52 15.343 -0.715 -8.668 1.00 0.00 C ATOM 803 O PRO A 52 15.655 -1.279 -9.719 1.00 0.00 O ATOM 804 CB PRO A 52 13.539 0.793 -7.744 1.00 0.00 C ATOM 805 CG PRO A 52 12.293 0.588 -8.596 1.00 0.00 C ATOM 806 CD PRO A 52 12.689 0.819 -10.057 1.00 0.00 C ATOM 0 HA PRO A 52 15.580 1.342 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 52 13.599 0.037 -6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 52 13.511 1.763 -7.248 1.00 0.00 H new ATOM 0 HG2 PRO A 52 11.898 -0.419 -8.461 1.00 0.00 H new ATOM 0 HG3 PRO A 52 11.507 1.282 -8.298 1.00 0.00 H new ATOM 0 HD2 PRO A 52 12.454 -0.045 -10.679 1.00 0.00 H new ATOM 0 HD3 PRO A 52 12.164 1.673 -10.486 1.00 0.00 H new ATOM 814 N THR A 53 15.497 -1.275 -7.463 1.00 0.00 N ATOM 815 CA THR A 53 16.057 -2.622 -7.302 1.00 0.00 C ATOM 816 C THR A 53 14.913 -3.639 -7.139 1.00 0.00 C ATOM 817 O THR A 53 13.743 -3.252 -7.087 1.00 0.00 O ATOM 818 CB THR A 53 16.982 -2.666 -6.066 1.00 0.00 C ATOM 819 OG1 THR A 53 16.212 -2.888 -4.891 1.00 0.00 O ATOM 820 CG2 THR A 53 17.740 -1.342 -5.928 1.00 0.00 C ATOM 0 H THR A 53 15.243 -0.818 -6.587 1.00 0.00 H new ATOM 0 HA THR A 53 16.641 -2.876 -8.187 1.00 0.00 H new ATOM 0 HB THR A 53 17.695 -3.480 -6.194 1.00 0.00 H new ATOM 0 HG1 THR A 53 16.805 -2.916 -4.112 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.389 -1.384 -5.053 1.00 0.00 H new ATOM 0 HG22 THR A 53 18.343 -1.173 -6.820 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.028 -0.525 -5.812 1.00 0.00 H new ATOM 828 N PRO A 54 15.224 -4.946 -7.044 1.00 0.00 N ATOM 829 CA PRO A 54 14.182 -5.979 -6.872 1.00 0.00 C ATOM 830 C PRO A 54 13.600 -5.982 -5.458 1.00 0.00 C ATOM 831 O PRO A 54 12.445 -6.361 -5.250 1.00 0.00 O ATOM 832 CB PRO A 54 14.933 -7.268 -7.184 1.00 0.00 C ATOM 833 CG PRO A 54 16.409 -6.987 -6.949 1.00 0.00 C ATOM 834 CD PRO A 54 16.608 -5.475 -7.088 1.00 0.00 C ATOM 0 HA PRO A 54 13.314 -5.821 -7.513 1.00 0.00 H new ATOM 0 HB2 PRO A 54 14.588 -8.080 -6.544 1.00 0.00 H new ATOM 0 HB3 PRO A 54 14.758 -7.577 -8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 54 16.713 -7.326 -5.958 1.00 0.00 H new ATOM 0 HG3 PRO A 54 17.023 -7.524 -7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.219 -5.073 -6.279 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.108 -5.219 -8.022 1.00 0.00 H new ATOM 842 N GLU A 55 14.403 -5.520 -4.494 1.00 0.00 N ATOM 843 CA GLU A 55 13.951 -5.437 -3.107 1.00 0.00 C ATOM 844 C GLU A 55 13.105 -4.176 -2.915 1.00 0.00 C ATOM 845 O GLU A 55 12.145 -4.171 -2.142 1.00 0.00 O ATOM 846 CB GLU A 55 15.147 -5.393 -2.149 1.00 0.00 C ATOM 847 CG GLU A 55 15.779 -6.786 -2.055 1.00 0.00 C ATOM 848 CD GLU A 55 17.282 -6.653 -1.825 1.00 0.00 C ATOM 849 OE1 GLU A 55 18.007 -6.575 -2.805 1.00 0.00 O ATOM 850 OE2 GLU A 55 17.687 -6.634 -0.675 1.00 0.00 O ATOM 0 H GLU A 55 15.359 -5.201 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 55 13.354 -6.322 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 55 15.883 -4.671 -2.503 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.824 -5.061 -1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 55 15.325 -7.348 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 55 15.589 -7.345 -2.971 1.00 0.00 H new ATOM 857 N GLU A 56 13.472 -3.107 -3.639 1.00 0.00 N ATOM 858 CA GLU A 56 12.745 -1.840 -3.554 1.00 0.00 C ATOM 859 C GLU A 56 11.388 -1.940 -4.257 1.00 0.00 C ATOM 860 O GLU A 56 10.379 -1.457 -3.739 1.00 0.00 O ATOM 861 CB GLU A 56 13.559 -0.712 -4.197 1.00 0.00 C ATOM 862 CG GLU A 56 13.007 0.644 -3.748 1.00 0.00 C ATOM 863 CD GLU A 56 14.098 1.704 -3.862 1.00 0.00 C ATOM 864 OE1 GLU A 56 14.822 1.889 -2.897 1.00 0.00 O ATOM 865 OE2 GLU A 56 14.192 2.318 -4.913 1.00 0.00 O ATOM 0 H GLU A 56 14.262 -3.098 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 56 12.585 -1.620 -2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.608 -0.800 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 56 13.514 -0.792 -5.283 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.151 0.921 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.653 0.581 -2.719 1.00 0.00 H new ATOM 872 N LEU A 57 11.370 -2.568 -5.441 1.00 0.00 N ATOM 873 CA LEU A 57 10.125 -2.720 -6.196 1.00 0.00 C ATOM 874 C LEU A 57 9.115 -3.560 -5.411 1.00 0.00 C ATOM 875 O LEU A 57 7.922 -3.262 -5.407 1.00 0.00 O ATOM 876 CB LEU A 57 10.384 -3.362 -7.569 1.00 0.00 C ATOM 877 CG LEU A 57 10.563 -4.889 -7.584 1.00 0.00 C ATOM 878 CD1 LEU A 57 9.195 -5.578 -7.681 1.00 0.00 C ATOM 879 CD2 LEU A 57 11.412 -5.283 -8.796 1.00 0.00 C ATOM 0 H LEU A 57 12.192 -2.973 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 57 9.711 -1.724 -6.353 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.553 -3.108 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.279 -2.908 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 57 11.057 -5.201 -6.664 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.332 -6.659 -7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.585 -5.298 -6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.695 -5.267 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.543 -6.365 -8.812 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.911 -4.964 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.387 -4.801 -8.729 1.00 0.00 H new ATOM 891 N GLN A 58 9.605 -4.607 -4.738 1.00 0.00 N ATOM 892 CA GLN A 58 8.722 -5.468 -3.947 1.00 0.00 C ATOM 893 C GLN A 58 8.245 -4.742 -2.686 1.00 0.00 C ATOM 894 O GLN A 58 7.173 -5.043 -2.159 1.00 0.00 O ATOM 895 CB GLN A 58 9.437 -6.763 -3.542 1.00 0.00 C ATOM 896 CG GLN A 58 8.846 -7.944 -4.322 1.00 0.00 C ATOM 897 CD GLN A 58 7.382 -8.148 -3.928 1.00 0.00 C ATOM 898 OE1 GLN A 58 7.083 -8.517 -2.791 1.00 0.00 O ATOM 899 NE2 GLN A 58 6.439 -7.928 -4.808 1.00 0.00 N ATOM 0 H GLN A 58 10.589 -4.875 -4.725 1.00 0.00 H new ATOM 0 HA GLN A 58 7.862 -5.715 -4.569 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.505 -6.679 -3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.327 -6.931 -2.471 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.921 -7.757 -5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.417 -8.849 -4.116 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.682 -7.622 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.461 -8.062 -4.552 1.00 0.00 H new ATOM 908 N GLU A 59 9.047 -3.781 -2.210 1.00 0.00 N ATOM 909 CA GLU A 59 8.692 -3.014 -1.014 1.00 0.00 C ATOM 910 C GLU A 59 7.499 -2.097 -1.291 1.00 0.00 C ATOM 911 O GLU A 59 6.565 -2.022 -0.490 1.00 0.00 O ATOM 912 CB GLU A 59 9.876 -2.164 -0.545 1.00 0.00 C ATOM 913 CG GLU A 59 10.642 -2.914 0.549 1.00 0.00 C ATOM 914 CD GLU A 59 11.619 -1.962 1.234 1.00 0.00 C ATOM 915 OE1 GLU A 59 12.721 -1.814 0.730 1.00 0.00 O ATOM 916 OE2 GLU A 59 11.250 -1.396 2.250 1.00 0.00 O ATOM 0 H GLU A 59 9.938 -3.519 -2.632 1.00 0.00 H new ATOM 0 HA GLU A 59 8.426 -3.726 -0.233 1.00 0.00 H new ATOM 0 HB2 GLU A 59 10.537 -1.948 -1.384 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.521 -1.206 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.945 -3.324 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.182 -3.756 0.117 1.00 0.00 H new ATOM 923 N MET A 60 7.537 -1.402 -2.436 1.00 0.00 N ATOM 924 CA MET A 60 6.444 -0.494 -2.806 1.00 0.00 C ATOM 925 C MET A 60 5.170 -1.279 -3.139 1.00 0.00 C ATOM 926 O MET A 60 4.059 -0.795 -2.915 1.00 0.00 O ATOM 927 CB MET A 60 6.834 0.393 -4.001 1.00 0.00 C ATOM 928 CG MET A 60 7.170 -0.468 -5.224 1.00 0.00 C ATOM 929 SD MET A 60 7.128 0.558 -6.714 1.00 0.00 S ATOM 930 CE MET A 60 8.916 0.770 -6.900 1.00 0.00 C ATOM 0 H MET A 60 8.299 -1.449 -3.112 1.00 0.00 H new ATOM 0 HA MET A 60 6.251 0.148 -1.946 1.00 0.00 H new ATOM 0 HB2 MET A 60 6.015 1.071 -4.241 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.692 1.011 -3.737 1.00 0.00 H new ATOM 0 HG2 MET A 60 8.156 -0.917 -5.106 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.456 -1.287 -5.313 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.132 1.799 -7.188 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.409 0.547 -5.954 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.285 0.092 -7.670 1.00 0.00 H new ATOM 940 N ILE A 61 5.345 -2.499 -3.660 1.00 0.00 N ATOM 941 CA ILE A 61 4.204 -3.351 -4.004 1.00 0.00 C ATOM 942 C ILE A 61 3.586 -3.933 -2.734 1.00 0.00 C ATOM 943 O ILE A 61 2.371 -3.899 -2.552 1.00 0.00 O ATOM 944 CB ILE A 61 4.632 -4.501 -4.922 1.00 0.00 C ATOM 945 CG1 ILE A 61 5.112 -3.939 -6.263 1.00 0.00 C ATOM 946 CG2 ILE A 61 3.444 -5.437 -5.166 1.00 0.00 C ATOM 947 CD1 ILE A 61 6.063 -4.938 -6.920 1.00 0.00 C ATOM 0 H ILE A 61 6.257 -2.914 -3.851 1.00 0.00 H new ATOM 0 HA ILE A 61 3.472 -2.735 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 61 5.442 -5.054 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.260 -3.748 -6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.617 -2.985 -6.110 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.752 -6.253 -5.819 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.100 -5.843 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.634 -4.881 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.406 -4.540 -7.875 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.920 -5.107 -6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.542 -5.881 -7.086 1.00 0.00 H new ATOM 959 N ASP A 62 4.441 -4.463 -1.856 1.00 0.00 N ATOM 960 CA ASP A 62 3.973 -5.046 -0.596 1.00 0.00 C ATOM 961 C ASP A 62 3.242 -3.994 0.245 1.00 0.00 C ATOM 962 O ASP A 62 2.283 -4.307 0.952 1.00 0.00 O ATOM 963 CB ASP A 62 5.153 -5.601 0.210 1.00 0.00 C ATOM 964 CG ASP A 62 4.634 -6.500 1.330 1.00 0.00 C ATOM 965 OD1 ASP A 62 4.342 -7.652 1.051 1.00 0.00 O ATOM 966 OD2 ASP A 62 4.534 -6.023 2.448 1.00 0.00 O ATOM 0 H ASP A 62 5.451 -4.501 -1.992 1.00 0.00 H new ATOM 0 HA ASP A 62 3.286 -5.857 -0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.819 -6.165 -0.443 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.737 -4.782 0.629 1.00 0.00 H new ATOM 971 N GLU A 63 3.710 -2.742 0.156 1.00 0.00 N ATOM 972 CA GLU A 63 3.099 -1.642 0.906 1.00 0.00 C ATOM 973 C GLU A 63 1.698 -1.330 0.376 1.00 0.00 C ATOM 974 O GLU A 63 0.748 -1.198 1.150 1.00 0.00 O ATOM 975 CB GLU A 63 3.965 -0.380 0.807 1.00 0.00 C ATOM 976 CG GLU A 63 4.913 -0.307 2.008 1.00 0.00 C ATOM 977 CD GLU A 63 4.175 0.276 3.210 1.00 0.00 C ATOM 978 OE1 GLU A 63 4.045 1.488 3.271 1.00 0.00 O ATOM 979 OE2 GLU A 63 3.750 -0.498 4.053 1.00 0.00 O ATOM 0 H GLU A 63 4.504 -2.469 -0.424 1.00 0.00 H new ATOM 0 HA GLU A 63 3.024 -1.953 1.948 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.538 -0.393 -0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.331 0.506 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.290 -1.301 2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.777 0.311 1.765 1.00 0.00 H new ATOM 986 N VAL A 64 1.580 -1.209 -0.951 1.00 0.00 N ATOM 987 CA VAL A 64 0.286 -0.908 -1.575 1.00 0.00 C ATOM 988 C VAL A 64 -0.660 -2.116 -1.505 1.00 0.00 C ATOM 989 O VAL A 64 -1.876 -1.951 -1.379 1.00 0.00 O ATOM 990 CB VAL A 64 0.471 -0.472 -3.041 1.00 0.00 C ATOM 991 CG1 VAL A 64 1.100 -1.602 -3.862 1.00 0.00 C ATOM 992 CG2 VAL A 64 -0.890 -0.109 -3.641 1.00 0.00 C ATOM 0 H VAL A 64 2.354 -1.313 -1.607 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.162 -0.086 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 64 1.132 0.394 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.223 -1.276 -4.895 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.073 -1.857 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.451 -2.478 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.760 0.200 -4.678 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.549 -0.977 -3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.332 0.709 -3.072 1.00 0.00 H new ATOM 1002 N ASP A 65 -0.096 -3.328 -1.578 1.00 0.00 N ATOM 1003 CA ASP A 65 -0.905 -4.545 -1.513 1.00 0.00 C ATOM 1004 C ASP A 65 -1.282 -4.839 -0.062 1.00 0.00 C ATOM 1005 O ASP A 65 -0.490 -5.393 0.704 1.00 0.00 O ATOM 1006 CB ASP A 65 -0.142 -5.742 -2.098 1.00 0.00 C ATOM 1007 CG ASP A 65 -1.028 -6.480 -3.100 1.00 0.00 C ATOM 1008 OD1 ASP A 65 -1.745 -7.375 -2.685 1.00 0.00 O ATOM 1009 OD2 ASP A 65 -0.978 -6.139 -4.270 1.00 0.00 O ATOM 0 H ASP A 65 0.906 -3.489 -1.681 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.808 -4.387 -2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.770 -5.400 -2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.160 -6.418 -1.298 1.00 0.00 H new ATOM 1014 N GLU A 66 -2.502 -4.442 0.305 1.00 0.00 N ATOM 1015 CA GLU A 66 -2.996 -4.645 1.673 1.00 0.00 C ATOM 1016 C GLU A 66 -3.030 -6.132 2.025 1.00 0.00 C ATOM 1017 O GLU A 66 -2.654 -6.528 3.131 1.00 0.00 O ATOM 1018 CB GLU A 66 -4.410 -4.071 1.835 1.00 0.00 C ATOM 1019 CG GLU A 66 -4.460 -2.641 1.288 1.00 0.00 C ATOM 1020 CD GLU A 66 -5.693 -1.926 1.833 1.00 0.00 C ATOM 1021 OE1 GLU A 66 -6.742 -2.048 1.222 1.00 0.00 O ATOM 1022 OE2 GLU A 66 -5.570 -1.267 2.853 1.00 0.00 O ATOM 0 H GLU A 66 -3.164 -3.981 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.312 -4.126 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.128 -4.697 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.696 -4.077 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.558 -2.100 1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.490 -2.659 0.199 1.00 0.00 H new ATOM 1029 N ASP A 67 -3.488 -6.947 1.074 1.00 0.00 N ATOM 1030 CA ASP A 67 -3.576 -8.395 1.289 1.00 0.00 C ATOM 1031 C ASP A 67 -2.223 -9.073 1.045 1.00 0.00 C ATOM 1032 O ASP A 67 -1.848 -9.998 1.767 1.00 0.00 O ATOM 1033 CB ASP A 67 -4.642 -9.022 0.376 1.00 0.00 C ATOM 1034 CG ASP A 67 -4.403 -8.625 -1.081 1.00 0.00 C ATOM 1035 OD1 ASP A 67 -4.738 -7.508 -1.439 1.00 0.00 O ATOM 1036 OD2 ASP A 67 -3.894 -9.446 -1.817 1.00 0.00 O ATOM 0 H ASP A 67 -3.802 -6.635 0.155 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.864 -8.553 2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.618 -10.108 0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.634 -8.697 0.689 1.00 0.00 H new ATOM 1041 N GLY A 68 -1.497 -8.606 0.024 1.00 0.00 N ATOM 1042 CA GLY A 68 -0.190 -9.178 -0.304 1.00 0.00 C ATOM 1043 C GLY A 68 -0.348 -10.546 -0.962 1.00 0.00 C ATOM 1044 O GLY A 68 0.308 -11.515 -0.575 1.00 0.00 O ATOM 0 H GLY A 68 -1.790 -7.841 -0.584 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.348 -8.507 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.409 -9.272 0.602 1.00 0.00 H new ATOM 1048 N SER A 69 -1.233 -10.610 -1.958 1.00 0.00 N ATOM 1049 CA SER A 69 -1.493 -11.866 -2.675 1.00 0.00 C ATOM 1050 C SER A 69 -0.480 -12.113 -3.804 1.00 0.00 C ATOM 1051 O SER A 69 -0.589 -13.106 -4.528 1.00 0.00 O ATOM 1052 CB SER A 69 -2.896 -11.842 -3.290 1.00 0.00 C ATOM 1053 OG SER A 69 -3.028 -10.691 -4.122 1.00 0.00 O ATOM 0 H SER A 69 -1.780 -9.815 -2.287 1.00 0.00 H new ATOM 0 HA SER A 69 -1.403 -12.668 -1.942 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.065 -12.747 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.650 -11.824 -2.503 1.00 0.00 H new ATOM 0 HG SER A 69 -3.359 -9.938 -3.589 1.00 0.00 H new ATOM 1059 N GLY A 70 0.491 -11.204 -3.971 1.00 0.00 N ATOM 1060 CA GLY A 70 1.478 -11.347 -5.038 1.00 0.00 C ATOM 1061 C GLY A 70 0.887 -10.896 -6.378 1.00 0.00 C ATOM 1062 O GLY A 70 1.420 -11.215 -7.442 1.00 0.00 O ATOM 0 H GLY A 70 0.609 -10.375 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.362 -10.754 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.800 -12.386 -5.107 1.00 0.00 H new ATOM 1066 N THR A 71 -0.226 -10.147 -6.308 1.00 0.00 N ATOM 1067 CA THR A 71 -0.894 -9.651 -7.510 1.00 0.00 C ATOM 1068 C THR A 71 -1.477 -8.265 -7.244 1.00 0.00 C ATOM 1069 O THR A 71 -2.046 -8.011 -6.178 1.00 0.00 O ATOM 1070 CB THR A 71 -2.029 -10.594 -7.937 1.00 0.00 C ATOM 1071 OG1 THR A 71 -3.087 -10.526 -6.990 1.00 0.00 O ATOM 1072 CG2 THR A 71 -1.510 -12.030 -8.013 1.00 0.00 C ATOM 0 H THR A 71 -0.676 -9.876 -5.434 1.00 0.00 H new ATOM 0 HA THR A 71 -0.155 -9.600 -8.310 1.00 0.00 H new ATOM 0 HB THR A 71 -2.395 -10.290 -8.917 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.723 -10.619 -6.085 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.320 -12.694 -8.316 1.00 0.00 H new ATOM 0 HG22 THR A 71 -0.702 -12.087 -8.742 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.138 -12.335 -7.035 1.00 0.00 H new ATOM 1080 N VAL A 72 -1.333 -7.372 -8.221 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.851 -6.011 -8.077 1.00 0.00 C ATOM 1082 C VAL A 72 -3.181 -5.861 -8.806 1.00 0.00 C ATOM 1083 O VAL A 72 -3.281 -6.121 -10.007 1.00 0.00 O ATOM 1084 CB VAL A 72 -0.869 -4.980 -8.646 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -1.264 -3.581 -8.161 1.00 0.00 C ATOM 1086 CG2 VAL A 72 0.554 -5.296 -8.177 1.00 0.00 C ATOM 0 H VAL A 72 -0.869 -7.561 -9.109 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.988 -5.832 -7.011 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.903 -5.017 -9.735 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.567 -2.846 -8.564 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.273 -3.349 -8.502 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.233 -3.551 -7.072 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.244 -4.558 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.594 -5.265 -7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.839 -6.290 -8.522 1.00 0.00 H new ATOM 1096 N ASP A 73 -4.193 -5.405 -8.069 1.00 0.00 N ATOM 1097 CA ASP A 73 -5.513 -5.178 -8.651 1.00 0.00 C ATOM 1098 C ASP A 73 -5.577 -3.744 -9.162 1.00 0.00 C ATOM 1099 O ASP A 73 -4.704 -2.936 -8.848 1.00 0.00 O ATOM 1100 CB ASP A 73 -6.612 -5.400 -7.607 1.00 0.00 C ATOM 1101 CG ASP A 73 -6.738 -6.893 -7.315 1.00 0.00 C ATOM 1102 OD1 ASP A 73 -7.479 -7.554 -8.023 1.00 0.00 O ATOM 1103 OD2 ASP A 73 -6.088 -7.353 -6.390 1.00 0.00 O ATOM 0 H ASP A 73 -4.124 -5.187 -7.075 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.672 -5.881 -9.468 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.375 -4.858 -6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.561 -5.008 -7.973 1.00 0.00 H new ATOM 1108 N PHE A 74 -6.597 -3.425 -9.959 1.00 0.00 N ATOM 1109 CA PHE A 74 -6.713 -2.068 -10.496 1.00 0.00 C ATOM 1110 C PHE A 74 -6.809 -1.034 -9.369 1.00 0.00 C ATOM 1111 O PHE A 74 -6.325 0.091 -9.510 1.00 0.00 O ATOM 1112 CB PHE A 74 -7.924 -1.935 -11.423 1.00 0.00 C ATOM 1113 CG PHE A 74 -7.771 -0.691 -12.261 1.00 0.00 C ATOM 1114 CD1 PHE A 74 -6.557 -0.433 -12.910 1.00 0.00 C ATOM 1115 CD2 PHE A 74 -8.835 0.206 -12.387 1.00 0.00 C ATOM 1116 CE1 PHE A 74 -6.411 0.720 -13.683 1.00 0.00 C ATOM 1117 CE2 PHE A 74 -8.689 1.361 -13.161 1.00 0.00 C ATOM 1118 CZ PHE A 74 -7.477 1.618 -13.809 1.00 0.00 C ATOM 0 H PHE A 74 -7.337 -4.068 -10.242 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.810 -1.875 -11.075 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.004 -2.813 -12.064 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -8.842 -1.883 -10.837 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.734 -1.126 -12.812 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -9.771 0.007 -11.886 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.475 0.919 -14.184 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.512 2.054 -13.258 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.363 2.510 -14.407 1.00 0.00 H new ATOM 1128 N ASP A 75 -7.415 -1.430 -8.242 1.00 0.00 N ATOM 1129 CA ASP A 75 -7.537 -0.530 -7.094 1.00 0.00 C ATOM 1130 C ASP A 75 -6.159 -0.280 -6.479 1.00 0.00 C ATOM 1131 O ASP A 75 -5.807 0.856 -6.157 1.00 0.00 O ATOM 1132 CB ASP A 75 -8.462 -1.130 -6.030 1.00 0.00 C ATOM 1133 CG ASP A 75 -9.909 -0.763 -6.348 1.00 0.00 C ATOM 1134 OD1 ASP A 75 -10.523 -1.474 -7.128 1.00 0.00 O ATOM 1135 OD2 ASP A 75 -10.382 0.225 -5.808 1.00 0.00 O ATOM 0 H ASP A 75 -7.822 -2.355 -8.104 1.00 0.00 H new ATOM 0 HA ASP A 75 -7.962 0.411 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -8.348 -2.214 -6.003 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.189 -0.756 -5.043 1.00 0.00 H new ATOM 1140 N GLU A 76 -5.378 -1.358 -6.342 1.00 0.00 N ATOM 1141 CA GLU A 76 -4.025 -1.260 -5.786 1.00 0.00 C ATOM 1142 C GLU A 76 -3.080 -0.600 -6.801 1.00 0.00 C ATOM 1143 O GLU A 76 -2.104 0.053 -6.427 1.00 0.00 O ATOM 1144 CB GLU A 76 -3.483 -2.653 -5.429 1.00 0.00 C ATOM 1145 CG GLU A 76 -4.472 -3.376 -4.502 1.00 0.00 C ATOM 1146 CD GLU A 76 -4.000 -4.809 -4.245 1.00 0.00 C ATOM 1147 OE1 GLU A 76 -3.889 -5.563 -5.199 1.00 0.00 O ATOM 1148 OE2 GLU A 76 -3.764 -5.137 -3.094 1.00 0.00 O ATOM 0 H GLU A 76 -5.658 -2.302 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.075 -0.652 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.329 -3.236 -6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.513 -2.561 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.557 -2.838 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.464 -3.387 -4.953 1.00 0.00 H new ATOM 1155 N PHE A 77 -3.389 -0.787 -8.090 1.00 0.00 N ATOM 1156 CA PHE A 77 -2.582 -0.224 -9.177 1.00 0.00 C ATOM 1157 C PHE A 77 -2.625 1.306 -9.152 1.00 0.00 C ATOM 1158 O PHE A 77 -1.585 1.966 -9.132 1.00 0.00 O ATOM 1159 CB PHE A 77 -3.123 -0.716 -10.527 1.00 0.00 C ATOM 1160 CG PHE A 77 -2.016 -0.916 -11.541 1.00 0.00 C ATOM 1161 CD1 PHE A 77 -0.675 -1.098 -11.151 1.00 0.00 C ATOM 1162 CD2 PHE A 77 -2.352 -0.933 -12.897 1.00 0.00 C ATOM 1163 CE1 PHE A 77 0.312 -1.292 -12.124 1.00 0.00 C ATOM 1164 CE2 PHE A 77 -1.365 -1.129 -13.862 1.00 0.00 C ATOM 1165 CZ PHE A 77 -0.035 -1.308 -13.478 1.00 0.00 C ATOM 0 H PHE A 77 -4.195 -1.326 -8.405 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.551 -0.551 -9.042 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.657 -1.655 -10.383 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -3.843 0.005 -10.914 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.409 -1.088 -10.104 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.380 -0.794 -13.199 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.342 -1.429 -11.829 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.630 -1.142 -14.909 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.727 -1.459 -14.228 1.00 0.00 H new ATOM 1175 N LEU A 78 -3.844 1.858 -9.160 1.00 0.00 N ATOM 1176 CA LEU A 78 -4.026 3.314 -9.144 1.00 0.00 C ATOM 1177 C LEU A 78 -3.592 3.908 -7.802 1.00 0.00 C ATOM 1178 O LEU A 78 -3.109 5.040 -7.744 1.00 0.00 O ATOM 1179 CB LEU A 78 -5.493 3.677 -9.406 1.00 0.00 C ATOM 1180 CG LEU A 78 -5.872 3.870 -10.881 1.00 0.00 C ATOM 1181 CD1 LEU A 78 -5.215 2.785 -11.739 1.00 0.00 C ATOM 1182 CD2 LEU A 78 -7.393 3.781 -11.028 1.00 0.00 C ATOM 0 H LEU A 78 -4.713 1.324 -9.177 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.402 3.732 -9.934 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.124 2.893 -8.986 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.724 4.595 -8.866 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.524 4.848 -11.215 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.490 2.931 -12.784 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.132 2.847 -11.637 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.555 1.804 -11.408 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.666 3.918 -12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.735 2.803 -10.688 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.863 4.559 -10.426 1.00 0.00 H new ATOM 1194 N VAL A 79 -3.759 3.128 -6.728 1.00 0.00 N ATOM 1195 CA VAL A 79 -3.370 3.578 -5.389 1.00 0.00 C ATOM 1196 C VAL A 79 -1.860 3.847 -5.353 1.00 0.00 C ATOM 1197 O VAL A 79 -1.411 4.862 -4.824 1.00 0.00 O ATOM 1198 CB VAL A 79 -3.748 2.513 -4.340 1.00 0.00 C ATOM 1199 CG1 VAL A 79 -2.728 2.489 -3.200 1.00 0.00 C ATOM 1200 CG2 VAL A 79 -5.133 2.835 -3.770 1.00 0.00 C ATOM 0 H VAL A 79 -4.158 2.190 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.901 4.500 -5.153 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.757 1.536 -4.822 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.014 1.730 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.741 2.254 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.701 3.465 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.404 2.084 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.114 3.819 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -5.868 2.831 -4.575 1.00 0.00 H new ATOM 1210 N MET A 80 -1.092 2.916 -5.927 1.00 0.00 N ATOM 1211 CA MET A 80 0.372 3.035 -5.978 1.00 0.00 C ATOM 1212 C MET A 80 0.820 4.423 -6.462 1.00 0.00 C ATOM 1213 O MET A 80 1.914 4.875 -6.121 1.00 0.00 O ATOM 1214 CB MET A 80 0.958 1.975 -6.918 1.00 0.00 C ATOM 1215 CG MET A 80 2.121 1.259 -6.226 1.00 0.00 C ATOM 1216 SD MET A 80 3.329 0.726 -7.465 1.00 0.00 S ATOM 1217 CE MET A 80 2.328 -0.578 -8.222 1.00 0.00 C ATOM 0 H MET A 80 -1.458 2.070 -6.364 1.00 0.00 H new ATOM 0 HA MET A 80 0.739 2.886 -4.962 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.188 1.255 -7.195 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.303 2.443 -7.840 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.594 1.925 -5.505 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.752 0.398 -5.669 1.00 0.00 H new ATOM 0 HE1 MET A 80 2.977 -1.386 -8.559 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.619 -0.964 -7.490 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.784 -0.171 -9.074 1.00 0.00 H new ATOM 1227 N MET A 81 -0.031 5.101 -7.251 1.00 0.00 N ATOM 1228 CA MET A 81 0.310 6.438 -7.753 1.00 0.00 C ATOM 1229 C MET A 81 0.467 7.411 -6.584 1.00 0.00 C ATOM 1230 O MET A 81 1.507 8.055 -6.434 1.00 0.00 O ATOM 1231 CB MET A 81 -0.774 6.961 -8.706 1.00 0.00 C ATOM 1232 CG MET A 81 -0.407 8.373 -9.184 1.00 0.00 C ATOM 1233 SD MET A 81 -0.136 8.368 -10.974 1.00 0.00 S ATOM 1234 CE MET A 81 1.297 7.261 -11.000 1.00 0.00 C ATOM 0 H MET A 81 -0.942 4.752 -7.549 1.00 0.00 H new ATOM 0 HA MET A 81 1.250 6.363 -8.299 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.874 6.292 -9.561 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.739 6.978 -8.200 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.205 9.071 -8.930 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.492 8.717 -8.672 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.520 6.979 -12.029 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.158 7.771 -10.568 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.076 6.366 -10.419 1.00 0.00 H new ATOM 1244 N VAL A 82 -0.575 7.498 -5.751 1.00 0.00 N ATOM 1245 CA VAL A 82 -0.540 8.385 -4.584 1.00 0.00 C ATOM 1246 C VAL A 82 0.468 7.874 -3.549 1.00 0.00 C ATOM 1247 O VAL A 82 1.049 8.659 -2.802 1.00 0.00 O ATOM 1248 CB VAL A 82 -1.927 8.509 -3.934 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -2.874 9.236 -4.890 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -2.493 7.120 -3.621 1.00 0.00 C ATOM 0 H VAL A 82 -1.442 6.973 -5.860 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.231 9.371 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.832 9.072 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.858 9.324 -4.430 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.483 10.231 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.957 8.672 -5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.476 7.223 -3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.583 6.547 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.824 6.601 -2.935 1.00 0.00 H new ATOM 1260 N ARG A 83 0.677 6.551 -3.527 1.00 0.00 N ATOM 1261 CA ARG A 83 1.633 5.944 -2.593 1.00 0.00 C ATOM 1262 C ARG A 83 3.066 6.359 -2.949 1.00 0.00 C ATOM 1263 O ARG A 83 3.926 6.474 -2.073 1.00 0.00 O ATOM 1264 CB ARG A 83 1.538 4.414 -2.633 1.00 0.00 C ATOM 1265 CG ARG A 83 0.148 3.967 -2.165 1.00 0.00 C ATOM 1266 CD ARG A 83 0.264 2.676 -1.350 1.00 0.00 C ATOM 1267 NE ARG A 83 0.064 2.941 0.078 1.00 0.00 N ATOM 1268 CZ ARG A 83 1.087 3.029 0.943 1.00 0.00 C ATOM 1269 NH1 ARG A 83 2.331 2.892 0.542 1.00 0.00 N ATOM 1270 NH2 ARG A 83 0.842 3.260 2.207 1.00 0.00 N ATOM 0 H ARG A 83 0.202 5.887 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 83 1.385 6.295 -1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.724 4.055 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.305 3.976 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.311 4.749 -1.560 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.501 3.807 -3.026 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.475 1.954 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.245 2.228 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.887 3.063 0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.533 2.715 -0.442 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.094 2.962 1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.120 3.372 2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 83 1.613 3.328 2.872 1.00 0.00 H new