USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 561 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 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 GLN :FLIP amide:sc=-0.00156 F(o=-1.2,f=-0.0016) USER MOD Set 2.1: A 18 LYS NZ :NH3+ 138:sc= 1.07 (180deg=-0.31) USER MOD Set 2.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.348 USER MOD Single : A 17 ASN : amide:sc= 0.404 K(o=0.4,f=-0.11) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -12.1! C(o=-14!,f=-12!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -61:sc= 0.581 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -8.83! (180deg=-11.1!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -151:sc= -0.244 (180deg=-0.915) USER MOD Single : A 75 SER OG : rot 180:sc=-0.000124 USER MOD Single : A 77 GLN :FLIP amide:sc= -3.85! C(o=-6.2!,f=-3.8!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 4:sc= 0.261 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0217 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 90 N VAL A 7 -14.337 -5.095 -2.293 1.00 0.00 N ATOM 91 CA VAL A 7 -14.324 -3.822 -1.589 1.00 0.00 C ATOM 92 C VAL A 7 -13.354 -2.803 -2.204 1.00 0.00 C ATOM 93 O VAL A 7 -13.800 -1.807 -2.773 1.00 0.00 O ATOM 94 CB VAL A 7 -14.040 -3.981 -0.070 1.00 0.00 C ATOM 95 CG1 VAL A 7 -15.156 -3.344 0.737 1.00 0.00 C ATOM 96 CG2 VAL A 7 -13.884 -5.440 0.336 1.00 0.00 C ATOM 0 HA VAL A 7 -15.334 -3.429 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 7 -13.096 -3.476 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.948 -3.461 1.801 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.221 -2.283 0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.102 -3.830 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.687 -5.501 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -14.801 -5.982 0.105 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -13.052 -5.883 -0.212 1.00 0.00 H new ATOM 106 N PRO A 8 -12.020 -2.984 -2.068 1.00 0.00 N ATOM 107 CA PRO A 8 -11.044 -2.030 -2.573 1.00 0.00 C ATOM 108 C PRO A 8 -10.267 -2.509 -3.819 1.00 0.00 C ATOM 109 O PRO A 8 -10.854 -2.791 -4.862 1.00 0.00 O ATOM 110 CB PRO A 8 -10.141 -1.964 -1.352 1.00 0.00 C ATOM 111 CG PRO A 8 -10.011 -3.403 -0.958 1.00 0.00 C ATOM 112 CD PRO A 8 -11.317 -4.070 -1.362 1.00 0.00 C ATOM 0 HA PRO A 8 -11.477 -1.093 -2.922 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.174 -1.520 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.581 -1.365 -0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.163 -3.870 -1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.839 -3.500 0.114 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.150 -4.933 -2.007 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.878 -4.422 -0.497 1.00 0.00 H new ATOM 120 N LEU A 9 -8.935 -2.563 -3.692 1.00 0.00 N ATOM 121 CA LEU A 9 -8.031 -2.961 -4.770 1.00 0.00 C ATOM 122 C LEU A 9 -8.309 -4.370 -5.290 1.00 0.00 C ATOM 123 O LEU A 9 -8.335 -5.336 -4.527 1.00 0.00 O ATOM 124 CB LEU A 9 -6.590 -2.890 -4.233 1.00 0.00 C ATOM 125 CG LEU A 9 -5.434 -3.046 -5.246 1.00 0.00 C ATOM 126 CD1 LEU A 9 -5.913 -3.547 -6.592 1.00 0.00 C ATOM 127 CD2 LEU A 9 -4.690 -1.733 -5.420 1.00 0.00 C ATOM 0 H LEU A 9 -8.452 -2.328 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.184 -2.282 -5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.467 -1.931 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.477 -3.664 -3.474 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.756 -3.794 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.064 -3.640 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.388 -4.520 -6.470 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.633 -2.842 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.880 -1.866 -6.138 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.378 -0.971 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.277 -1.419 -4.461 1.00 0.00 H new ATOM 139 N THR A 10 -8.460 -4.477 -6.611 1.00 0.00 N ATOM 140 CA THR A 10 -8.671 -5.759 -7.261 1.00 0.00 C ATOM 141 C THR A 10 -7.362 -6.225 -7.896 1.00 0.00 C ATOM 142 O THR A 10 -6.779 -5.525 -8.724 1.00 0.00 O ATOM 143 CB THR A 10 -9.759 -5.658 -8.330 1.00 0.00 C ATOM 144 OG1 THR A 10 -11.026 -5.434 -7.740 1.00 0.00 O ATOM 145 CG2 THR A 10 -9.861 -6.902 -9.187 1.00 0.00 C ATOM 0 H THR A 10 -8.439 -3.682 -7.250 1.00 0.00 H new ATOM 0 HA THR A 10 -8.997 -6.481 -6.512 1.00 0.00 H new ATOM 0 HB THR A 10 -9.471 -4.819 -8.963 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.707 -5.371 -8.442 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.650 -6.770 -9.927 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.912 -7.073 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.094 -7.760 -8.557 1.00 0.00 H new ATOM 153 N PHE A 11 -6.900 -7.398 -7.492 1.00 0.00 N ATOM 154 CA PHE A 11 -5.653 -7.955 -8.004 1.00 0.00 C ATOM 155 C PHE A 11 -5.894 -8.777 -9.273 1.00 0.00 C ATOM 156 O PHE A 11 -7.025 -8.888 -9.746 1.00 0.00 O ATOM 157 CB PHE A 11 -4.997 -8.814 -6.926 1.00 0.00 C ATOM 158 CG PHE A 11 -5.680 -10.118 -6.731 1.00 0.00 C ATOM 159 CD1 PHE A 11 -6.831 -10.214 -5.974 1.00 0.00 C ATOM 160 CD2 PHE A 11 -5.165 -11.245 -7.319 1.00 0.00 C ATOM 161 CE1 PHE A 11 -7.460 -11.429 -5.813 1.00 0.00 C ATOM 162 CE2 PHE A 11 -5.781 -12.460 -7.167 1.00 0.00 C ATOM 163 CZ PHE A 11 -6.933 -12.557 -6.413 1.00 0.00 C ATOM 0 H PHE A 11 -7.372 -7.988 -6.807 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.986 -7.133 -8.265 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -3.955 -8.992 -7.194 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -4.995 -8.266 -5.984 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -7.240 -9.331 -5.505 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.263 -11.174 -7.909 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.360 -11.500 -5.221 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -5.366 -13.340 -7.636 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.422 -13.513 -6.292 1.00 0.00 H new ATOM 173 N THR A 12 -4.821 -9.344 -9.825 1.00 0.00 N ATOM 174 CA THR A 12 -4.919 -10.148 -11.048 1.00 0.00 C ATOM 175 C THR A 12 -5.287 -11.600 -10.731 1.00 0.00 C ATOM 176 O THR A 12 -5.822 -11.894 -9.671 1.00 0.00 O ATOM 177 CB THR A 12 -3.598 -10.098 -11.825 1.00 0.00 C ATOM 178 OG1 THR A 12 -3.794 -10.498 -13.172 1.00 0.00 O ATOM 179 CG2 THR A 12 -2.518 -10.981 -11.232 1.00 0.00 C ATOM 0 H THR A 12 -3.877 -9.263 -9.448 1.00 0.00 H new ATOM 0 HA THR A 12 -5.712 -9.724 -11.664 1.00 0.00 H new ATOM 0 HB THR A 12 -3.266 -9.061 -11.765 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.941 -10.458 -13.653 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.611 -10.898 -11.830 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.309 -10.664 -10.210 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.857 -12.017 -11.228 1.00 0.00 H new ATOM 187 N ASP A 13 -4.998 -12.505 -11.662 1.00 0.00 N ATOM 188 CA ASP A 13 -5.289 -13.920 -11.468 1.00 0.00 C ATOM 189 C ASP A 13 -4.095 -14.636 -10.848 1.00 0.00 C ATOM 190 O ASP A 13 -4.243 -15.451 -9.942 1.00 0.00 O ATOM 191 CB ASP A 13 -5.648 -14.572 -12.801 1.00 0.00 C ATOM 192 CG ASP A 13 -6.879 -13.955 -13.435 1.00 0.00 C ATOM 193 OD1 ASP A 13 -7.815 -13.597 -12.689 1.00 0.00 O ATOM 194 OD2 ASP A 13 -6.907 -13.829 -14.677 1.00 0.00 O ATOM 0 H ASP A 13 -4.563 -12.283 -12.557 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.137 -14.004 -10.788 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.805 -14.479 -13.486 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.818 -15.638 -12.647 1.00 0.00 H new ATOM 199 N ALA A 14 -2.914 -14.328 -11.361 1.00 0.00 N ATOM 200 CA ALA A 14 -1.682 -14.939 -10.883 1.00 0.00 C ATOM 201 C ALA A 14 -1.450 -14.641 -9.412 1.00 0.00 C ATOM 202 O ALA A 14 -1.036 -15.518 -8.656 1.00 0.00 O ATOM 203 CB ALA A 14 -0.502 -14.466 -11.716 1.00 0.00 C ATOM 0 H ALA A 14 -2.782 -13.653 -12.114 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.779 -16.019 -10.990 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.413 -14.931 -11.348 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.657 -14.746 -12.758 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.414 -13.382 -11.640 1.00 0.00 H new ATOM 209 N ALA A 15 -1.735 -13.412 -8.991 1.00 0.00 N ATOM 210 CA ALA A 15 -1.564 -13.059 -7.591 1.00 0.00 C ATOM 211 C ALA A 15 -2.332 -14.061 -6.740 1.00 0.00 C ATOM 212 O ALA A 15 -1.941 -14.384 -5.618 1.00 0.00 O ATOM 213 CB ALA A 15 -2.009 -11.628 -7.326 1.00 0.00 C ATOM 0 H ALA A 15 -2.078 -12.659 -9.588 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.508 -13.104 -7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.869 -11.393 -6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.415 -10.944 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.062 -11.521 -7.585 1.00 0.00 H new ATOM 219 N ALA A 16 -3.403 -14.592 -7.320 1.00 0.00 N ATOM 220 CA ALA A 16 -4.198 -15.609 -6.658 1.00 0.00 C ATOM 221 C ALA A 16 -3.442 -16.922 -6.677 1.00 0.00 C ATOM 222 O ALA A 16 -3.404 -17.662 -5.695 1.00 0.00 O ATOM 223 CB ALA A 16 -5.524 -15.796 -7.370 1.00 0.00 C ATOM 0 H ALA A 16 -3.737 -14.332 -8.248 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.387 -15.293 -5.632 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.106 -16.563 -6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.076 -14.856 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.344 -16.104 -8.400 1.00 0.00 H new ATOM 229 N ASN A 17 -2.854 -17.192 -7.835 1.00 0.00 N ATOM 230 CA ASN A 17 -2.095 -18.404 -8.069 1.00 0.00 C ATOM 231 C ASN A 17 -0.990 -18.601 -7.037 1.00 0.00 C ATOM 232 O ASN A 17 -0.879 -19.664 -6.441 1.00 0.00 O ATOM 233 CB ASN A 17 -1.492 -18.368 -9.473 1.00 0.00 C ATOM 234 CG ASN A 17 -2.489 -18.740 -10.551 1.00 0.00 C ATOM 235 OD1 ASN A 17 -2.313 -19.732 -11.259 1.00 0.00 O ATOM 236 ND2 ASN A 17 -3.541 -17.950 -10.684 1.00 0.00 N ATOM 0 H ASN A 17 -2.893 -16.569 -8.641 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.781 -19.246 -7.977 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.105 -17.368 -9.672 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -0.645 -19.052 -9.517 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.245 -18.153 -11.394 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.649 -17.138 -10.077 1.00 0.00 H new ATOM 243 N LYS A 18 -0.170 -17.573 -6.816 1.00 0.00 N ATOM 244 CA LYS A 18 0.912 -17.683 -5.847 1.00 0.00 C ATOM 245 C LYS A 18 0.363 -18.109 -4.499 1.00 0.00 C ATOM 246 O LYS A 18 1.010 -18.844 -3.757 1.00 0.00 O ATOM 247 CB LYS A 18 1.671 -16.359 -5.708 1.00 0.00 C ATOM 248 CG LYS A 18 0.810 -15.207 -5.221 1.00 0.00 C ATOM 249 CD LYS A 18 0.749 -15.138 -3.700 1.00 0.00 C ATOM 250 CE LYS A 18 2.069 -14.697 -3.098 1.00 0.00 C ATOM 251 NZ LYS A 18 2.090 -13.238 -2.804 1.00 0.00 N ATOM 0 H LYS A 18 -0.235 -16.671 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 18 1.611 -18.438 -6.207 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.501 -16.498 -5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.102 -16.095 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.207 -14.269 -5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.199 -15.316 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.036 -14.444 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.478 -16.117 -3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.252 -15.254 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.880 -14.940 -3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.540 -13.076 -1.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.628 -12.743 -3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.116 -12.874 -2.783 1.00 0.00 H new ATOM 265 N VAL A 19 -0.839 -17.634 -4.184 1.00 0.00 N ATOM 266 CA VAL A 19 -1.474 -17.961 -2.922 1.00 0.00 C ATOM 267 C VAL A 19 -2.036 -19.373 -2.930 1.00 0.00 C ATOM 268 O VAL A 19 -1.535 -20.249 -2.233 1.00 0.00 O ATOM 269 CB VAL A 19 -2.598 -16.960 -2.598 1.00 0.00 C ATOM 270 CG1 VAL A 19 -3.238 -17.268 -1.252 1.00 0.00 C ATOM 271 CG2 VAL A 19 -2.058 -15.538 -2.629 1.00 0.00 C ATOM 0 H VAL A 19 -1.388 -17.022 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.706 -17.899 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.372 -17.056 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.028 -16.544 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.662 -18.272 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.483 -17.208 -0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.862 -14.839 -2.398 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.264 -15.434 -1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.661 -15.321 -3.621 1.00 0.00 H new ATOM 281 N LYS A 20 -3.079 -19.588 -3.723 1.00 0.00 N ATOM 282 CA LYS A 20 -3.726 -20.894 -3.823 1.00 0.00 C ATOM 283 C LYS A 20 -2.745 -22.005 -4.171 1.00 0.00 C ATOM 284 O LYS A 20 -3.042 -23.180 -3.973 1.00 0.00 O ATOM 285 CB LYS A 20 -4.810 -20.861 -4.897 1.00 0.00 C ATOM 286 CG LYS A 20 -4.390 -20.142 -6.165 1.00 0.00 C ATOM 287 CD LYS A 20 -4.449 -21.055 -7.377 1.00 0.00 C ATOM 288 CE LYS A 20 -3.435 -22.185 -7.274 1.00 0.00 C ATOM 289 NZ LYS A 20 -3.165 -22.814 -8.598 1.00 0.00 N ATOM 0 H LYS A 20 -3.499 -18.869 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.154 -21.105 -2.843 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.093 -21.884 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.697 -20.375 -4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.039 -19.281 -6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.376 -19.759 -6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.452 -21.472 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.259 -20.475 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.504 -21.800 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.804 -22.942 -6.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.469 -23.579 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.048 -23.204 -8.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.788 -22.098 -9.252 1.00 0.00 H new ATOM 303 N SER A 21 -1.602 -21.639 -4.727 1.00 0.00 N ATOM 304 CA SER A 21 -0.621 -22.634 -5.142 1.00 0.00 C ATOM 305 C SER A 21 0.348 -23.002 -4.025 1.00 0.00 C ATOM 306 O SER A 21 0.642 -24.180 -3.823 1.00 0.00 O ATOM 307 CB SER A 21 0.157 -22.134 -6.358 1.00 0.00 C ATOM 308 OG SER A 21 0.971 -23.170 -6.898 1.00 0.00 O ATOM 0 H SER A 21 -1.330 -20.671 -4.901 1.00 0.00 H new ATOM 0 HA SER A 21 -1.175 -23.536 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.538 -21.777 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.780 -21.286 -6.073 1.00 0.00 H new ATOM 0 HG SER A 21 1.460 -22.830 -7.676 1.00 0.00 H new ATOM 314 N LEU A 22 0.853 -22.010 -3.310 1.00 0.00 N ATOM 315 CA LEU A 22 1.797 -22.281 -2.236 1.00 0.00 C ATOM 316 C LEU A 22 1.062 -22.681 -0.964 1.00 0.00 C ATOM 317 O LEU A 22 1.613 -23.383 -0.116 1.00 0.00 O ATOM 318 CB LEU A 22 2.735 -21.074 -2.014 1.00 0.00 C ATOM 319 CG LEU A 22 2.439 -20.153 -0.814 1.00 0.00 C ATOM 320 CD1 LEU A 22 1.074 -19.521 -0.961 1.00 0.00 C ATOM 321 CD2 LEU A 22 2.551 -20.915 0.504 1.00 0.00 C ATOM 0 H LEU A 22 0.630 -21.024 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 22 2.424 -23.124 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.751 -21.453 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.718 -20.465 -2.918 1.00 0.00 H new ATOM 0 HG LEU A 22 3.185 -19.359 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.879 -18.873 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.043 -18.932 -1.877 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.315 -20.302 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.337 -20.241 1.333 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.835 -21.737 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.561 -21.312 0.610 1.00 0.00 H new ATOM 333 N ILE A 23 -0.191 -22.257 -0.842 1.00 0.00 N ATOM 334 CA ILE A 23 -0.983 -22.592 0.319 1.00 0.00 C ATOM 335 C ILE A 23 -1.386 -24.056 0.256 1.00 0.00 C ATOM 336 O ILE A 23 -1.198 -24.801 1.213 1.00 0.00 O ATOM 337 CB ILE A 23 -2.229 -21.719 0.419 1.00 0.00 C ATOM 338 CG1 ILE A 23 -3.043 -21.795 -0.860 1.00 0.00 C ATOM 339 CG2 ILE A 23 -1.833 -20.281 0.691 1.00 0.00 C ATOM 340 CD1 ILE A 23 -4.201 -22.762 -0.786 1.00 0.00 C ATOM 0 H ILE A 23 -0.672 -21.683 -1.534 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.375 -22.411 1.206 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.841 -22.087 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.425 -20.802 -1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.388 -22.088 -1.680 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.729 -19.664 0.761 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.281 -20.227 1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.204 -19.917 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.736 -22.762 -1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.825 -23.764 -0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.879 -22.458 0.012 1.00 0.00 H new ATOM 352 N SER A 24 -1.901 -24.454 -0.893 1.00 0.00 N ATOM 353 CA SER A 24 -2.285 -25.837 -1.105 1.00 0.00 C ATOM 354 C SER A 24 -1.064 -26.729 -0.925 1.00 0.00 C ATOM 355 O SER A 24 -1.178 -27.917 -0.626 1.00 0.00 O ATOM 356 CB SER A 24 -2.859 -26.018 -2.510 1.00 0.00 C ATOM 357 OG SER A 24 -4.277 -26.034 -2.486 1.00 0.00 O ATOM 0 H SER A 24 -2.063 -23.841 -1.692 1.00 0.00 H new ATOM 0 HA SER A 24 -3.050 -26.113 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.513 -25.210 -3.154 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.489 -26.949 -2.940 1.00 0.00 H new ATOM 0 HG SER A 24 -4.618 -26.149 -3.397 1.00 0.00 H new ATOM 363 N GLU A 25 0.107 -26.119 -1.098 1.00 0.00 N ATOM 364 CA GLU A 25 1.366 -26.820 -0.948 1.00 0.00 C ATOM 365 C GLU A 25 1.759 -26.877 0.514 1.00 0.00 C ATOM 366 O GLU A 25 2.566 -27.715 0.913 1.00 0.00 O ATOM 367 CB GLU A 25 2.461 -26.129 -1.766 1.00 0.00 C ATOM 368 CG GLU A 25 3.145 -27.043 -2.764 1.00 0.00 C ATOM 369 CD GLU A 25 4.431 -26.453 -3.308 1.00 0.00 C ATOM 370 OE1 GLU A 25 4.468 -25.233 -3.555 1.00 0.00 O ATOM 371 OE2 GLU A 25 5.404 -27.218 -3.490 1.00 0.00 O ATOM 0 H GLU A 25 0.203 -25.134 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 25 1.246 -27.838 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.025 -25.284 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.210 -25.724 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.361 -27.999 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.464 -27.246 -3.591 1.00 0.00 H new ATOM 378 N GLU A 26 1.180 -25.993 1.328 1.00 0.00 N ATOM 379 CA GLU A 26 1.464 -25.966 2.743 1.00 0.00 C ATOM 380 C GLU A 26 0.667 -27.048 3.449 1.00 0.00 C ATOM 381 O GLU A 26 0.979 -27.423 4.581 1.00 0.00 O ATOM 382 CB GLU A 26 1.149 -24.596 3.336 1.00 0.00 C ATOM 383 CG GLU A 26 1.918 -23.467 2.675 1.00 0.00 C ATOM 384 CD GLU A 26 2.885 -22.791 3.625 1.00 0.00 C ATOM 385 OE1 GLU A 26 2.472 -21.841 4.327 1.00 0.00 O ATOM 386 OE2 GLU A 26 4.062 -23.213 3.678 1.00 0.00 O ATOM 0 H GLU A 26 0.510 -25.288 1.019 1.00 0.00 H new ATOM 0 HA GLU A 26 2.527 -26.157 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.080 -24.403 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.378 -24.607 4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.468 -23.858 1.819 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.214 -22.728 2.291 1.00 0.00 H new ATOM 393 N GLU A 27 -0.380 -27.515 2.782 1.00 0.00 N ATOM 394 CA GLU A 27 -1.254 -28.539 3.333 1.00 0.00 C ATOM 395 C GLU A 27 -2.251 -27.899 4.282 1.00 0.00 C ATOM 396 O GLU A 27 -2.956 -28.586 5.019 1.00 0.00 O ATOM 397 CB GLU A 27 -0.449 -29.622 4.065 1.00 0.00 C ATOM 398 CG GLU A 27 -0.949 -31.035 3.798 1.00 0.00 C ATOM 399 CD GLU A 27 0.170 -32.002 3.483 1.00 0.00 C ATOM 400 OE1 GLU A 27 0.989 -32.280 4.394 1.00 0.00 O ATOM 401 OE2 GLU A 27 0.234 -32.487 2.333 1.00 0.00 O ATOM 0 H GLU A 27 -0.645 -27.197 1.850 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.787 -29.017 2.511 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.596 -29.552 3.764 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.486 -29.429 5.137 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.497 -31.392 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.652 -31.016 2.965 1.00 0.00 H new ATOM 408 N ASN A 28 -2.315 -26.559 4.264 1.00 0.00 N ATOM 409 CA ASN A 28 -3.245 -25.855 5.127 1.00 0.00 C ATOM 410 C ASN A 28 -4.649 -26.346 4.865 1.00 0.00 C ATOM 411 O ASN A 28 -5.250 -27.018 5.700 1.00 0.00 O ATOM 412 CB ASN A 28 -3.218 -24.336 4.896 1.00 0.00 C ATOM 413 CG ASN A 28 -1.894 -23.812 4.399 1.00 0.00 C ATOM 414 OD1 ASN A 28 -1.876 -23.392 3.148 1.00 0.00 O flip ATOM 415 ND2 ASN A 28 -0.900 -23.789 5.128 1.00 0.00 N flip ATOM 0 H ASN A 28 -1.741 -25.960 3.670 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.942 -26.054 6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.993 -24.075 4.176 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.468 -23.833 5.830 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.964 -24.125 6.089 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.013 -23.434 4.770 1.00 0.00 H new ATOM 422 N THR A 29 -5.172 -25.989 3.690 1.00 0.00 N ATOM 423 CA THR A 29 -6.529 -26.384 3.303 1.00 0.00 C ATOM 424 C THR A 29 -7.094 -25.493 2.194 1.00 0.00 C ATOM 425 O THR A 29 -7.680 -25.987 1.230 1.00 0.00 O ATOM 426 CB THR A 29 -7.464 -26.290 4.514 1.00 0.00 C ATOM 427 OG1 THR A 29 -8.819 -26.245 4.104 1.00 0.00 O ATOM 428 CG2 THR A 29 -7.196 -25.059 5.366 1.00 0.00 C ATOM 0 H THR A 29 -4.680 -25.430 2.993 1.00 0.00 H new ATOM 0 HA THR A 29 -6.470 -27.408 2.933 1.00 0.00 H new ATOM 0 HB THR A 29 -7.269 -27.183 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.398 -26.187 4.893 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.886 -25.043 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.171 -25.089 5.736 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.338 -24.162 4.764 1.00 0.00 H new ATOM 436 N ASP A 30 -6.944 -24.189 2.354 1.00 0.00 N ATOM 437 CA ASP A 30 -7.464 -23.218 1.395 1.00 0.00 C ATOM 438 C ASP A 30 -7.263 -21.821 1.954 1.00 0.00 C ATOM 439 O ASP A 30 -8.212 -21.118 2.300 1.00 0.00 O ATOM 440 CB ASP A 30 -8.948 -23.475 1.114 1.00 0.00 C ATOM 441 CG ASP A 30 -9.196 -23.940 -0.307 1.00 0.00 C ATOM 442 OD1 ASP A 30 -8.399 -24.757 -0.811 1.00 0.00 O ATOM 443 OD2 ASP A 30 -10.188 -23.485 -0.916 1.00 0.00 O ATOM 0 H ASP A 30 -6.460 -23.770 3.149 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.926 -23.316 0.452 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.322 -24.227 1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.513 -22.561 1.298 1.00 0.00 H new ATOM 448 N LEU A 31 -6.003 -21.459 2.072 1.00 0.00 N ATOM 449 CA LEU A 31 -5.601 -20.195 2.622 1.00 0.00 C ATOM 450 C LEU A 31 -6.166 -19.012 1.860 1.00 0.00 C ATOM 451 O LEU A 31 -6.463 -19.094 0.669 1.00 0.00 O ATOM 452 CB LEU A 31 -4.084 -20.126 2.620 1.00 0.00 C ATOM 453 CG LEU A 31 -3.445 -20.046 3.993 1.00 0.00 C ATOM 454 CD1 LEU A 31 -4.052 -18.904 4.775 1.00 0.00 C ATOM 455 CD2 LEU A 31 -3.623 -21.360 4.738 1.00 0.00 C ATOM 0 H LEU A 31 -5.222 -22.048 1.782 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.997 -20.132 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.696 -21.005 2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.775 -19.256 2.041 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.377 -19.863 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.589 -18.851 5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.881 -17.968 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.124 -19.068 4.886 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.159 -21.286 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.686 -21.572 4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.152 -22.165 4.174 1.00 0.00 H new ATOM 467 N LYS A 32 -6.285 -17.907 2.577 1.00 0.00 N ATOM 468 CA LYS A 32 -6.786 -16.665 2.022 1.00 0.00 C ATOM 469 C LYS A 32 -5.700 -15.604 2.107 1.00 0.00 C ATOM 470 O LYS A 32 -5.161 -15.344 3.183 1.00 0.00 O ATOM 471 CB LYS A 32 -8.031 -16.209 2.787 1.00 0.00 C ATOM 472 CG LYS A 32 -9.023 -17.329 3.061 1.00 0.00 C ATOM 473 CD LYS A 32 -10.033 -16.930 4.124 1.00 0.00 C ATOM 474 CE LYS A 32 -10.810 -15.689 3.716 1.00 0.00 C ATOM 475 NZ LYS A 32 -11.530 -15.080 4.867 1.00 0.00 N ATOM 0 H LYS A 32 -6.035 -17.848 3.564 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.060 -16.819 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.723 -15.768 3.735 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.530 -15.425 2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.545 -17.587 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.486 -18.221 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.726 -17.754 4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.517 -16.744 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.125 -14.957 3.288 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.526 -15.949 2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.047 -14.237 4.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.202 -15.769 5.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.845 -14.808 5.600 1.00 0.00 H new ATOM 489 N LEU A 33 -5.364 -15.002 0.975 1.00 0.00 N ATOM 490 CA LEU A 33 -4.330 -13.990 0.939 1.00 0.00 C ATOM 491 C LEU A 33 -4.675 -12.831 1.864 1.00 0.00 C ATOM 492 O LEU A 33 -5.840 -12.470 2.015 1.00 0.00 O ATOM 493 CB LEU A 33 -4.160 -13.485 -0.494 1.00 0.00 C ATOM 494 CG LEU A 33 -2.864 -12.728 -0.781 1.00 0.00 C ATOM 495 CD1 LEU A 33 -2.923 -11.323 -0.201 1.00 0.00 C ATOM 496 CD2 LEU A 33 -1.661 -13.489 -0.237 1.00 0.00 C ATOM 0 H LEU A 33 -5.795 -15.200 0.072 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.395 -14.432 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.218 -14.338 -1.170 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.000 -12.833 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.750 -12.645 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.991 -10.801 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.755 -10.779 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.066 -11.381 0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.750 -12.931 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.765 -13.611 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.607 -14.470 -0.710 1.00 0.00 H new ATOM 508 N ARG A 34 -3.648 -12.246 2.469 1.00 0.00 N ATOM 509 CA ARG A 34 -3.833 -11.118 3.366 1.00 0.00 C ATOM 510 C ARG A 34 -2.719 -10.107 3.158 1.00 0.00 C ATOM 511 O ARG A 34 -1.596 -10.285 3.628 1.00 0.00 O ATOM 512 CB ARG A 34 -3.879 -11.578 4.821 1.00 0.00 C ATOM 513 CG ARG A 34 -4.099 -10.443 5.810 1.00 0.00 C ATOM 514 CD ARG A 34 -3.008 -10.400 6.869 1.00 0.00 C ATOM 515 NE ARG A 34 -2.591 -9.031 7.169 1.00 0.00 N ATOM 516 CZ ARG A 34 -1.958 -8.675 8.281 1.00 0.00 C ATOM 517 NH1 ARG A 34 -1.661 -9.584 9.206 1.00 0.00 N ATOM 518 NH2 ARG A 34 -1.617 -7.409 8.473 1.00 0.00 N ATOM 0 H ARG A 34 -2.677 -12.537 2.353 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.788 -10.645 3.138 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.678 -12.310 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.945 -12.084 5.063 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.124 -9.494 5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.069 -10.563 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.368 -10.877 7.780 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.147 -10.975 6.527 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.799 -8.306 6.483 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.920 -10.560 9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -1.175 -9.305 10.058 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.841 -6.708 7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.131 -7.136 9.327 1.00 0.00 H new ATOM 532 N VAL A 35 -3.037 -9.063 2.418 1.00 0.00 N ATOM 533 CA VAL A 35 -2.070 -8.027 2.094 1.00 0.00 C ATOM 534 C VAL A 35 -1.808 -7.074 3.248 1.00 0.00 C ATOM 535 O VAL A 35 -2.644 -6.875 4.128 1.00 0.00 O ATOM 536 CB VAL A 35 -2.542 -7.193 0.898 1.00 0.00 C ATOM 537 CG1 VAL A 35 -1.407 -6.340 0.356 1.00 0.00 C ATOM 538 CG2 VAL A 35 -3.113 -8.086 -0.180 1.00 0.00 C ATOM 0 H VAL A 35 -3.966 -8.907 2.026 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.146 -8.556 1.861 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.333 -6.523 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.764 -5.756 -0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.053 -5.667 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.589 -6.985 0.034 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.443 -7.476 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.347 -8.785 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.961 -8.642 0.220 1.00 0.00 H new ATOM 548 N TYR A 36 -0.634 -6.462 3.193 1.00 0.00 N ATOM 549 CA TYR A 36 -0.208 -5.482 4.180 1.00 0.00 C ATOM 550 C TYR A 36 0.586 -4.390 3.476 1.00 0.00 C ATOM 551 O TYR A 36 0.806 -4.461 2.266 1.00 0.00 O ATOM 552 CB TYR A 36 0.637 -6.129 5.284 1.00 0.00 C ATOM 553 CG TYR A 36 1.395 -7.358 4.839 1.00 0.00 C ATOM 554 CD1 TYR A 36 0.727 -8.540 4.549 1.00 0.00 C ATOM 555 CD2 TYR A 36 2.777 -7.336 4.706 1.00 0.00 C ATOM 556 CE1 TYR A 36 1.414 -9.665 4.141 1.00 0.00 C ATOM 557 CE2 TYR A 36 3.468 -8.456 4.290 1.00 0.00 C ATOM 558 CZ TYR A 36 2.787 -9.620 4.016 1.00 0.00 C ATOM 559 OH TYR A 36 3.471 -10.738 3.604 1.00 0.00 O ATOM 0 H TYR A 36 0.053 -6.633 2.459 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.090 -5.054 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.348 -5.394 5.661 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.015 -6.398 6.115 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.348 -8.580 4.644 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.319 -6.429 4.931 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.879 -10.577 3.920 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.542 -8.419 4.180 1.00 0.00 H new ATOM 0 HH TYR A 36 4.430 -10.540 3.567 1.00 0.00 H new ATOM 569 N ILE A 37 1.016 -3.381 4.217 1.00 0.00 N ATOM 570 CA ILE A 37 1.780 -2.292 3.624 1.00 0.00 C ATOM 571 C ILE A 37 3.276 -2.593 3.662 1.00 0.00 C ATOM 572 O ILE A 37 3.896 -2.587 4.726 1.00 0.00 O ATOM 573 CB ILE A 37 1.484 -0.950 4.324 1.00 0.00 C ATOM 574 CG1 ILE A 37 0.076 -0.473 3.967 1.00 0.00 C ATOM 575 CG2 ILE A 37 2.507 0.102 3.925 1.00 0.00 C ATOM 576 CD1 ILE A 37 -0.135 -0.288 2.481 1.00 0.00 C ATOM 0 H ILE A 37 0.852 -3.292 5.220 1.00 0.00 H new ATOM 0 HA ILE A 37 1.470 -2.204 2.583 1.00 0.00 H new ATOM 0 HB ILE A 37 1.548 -1.102 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.650 -1.194 4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.120 0.471 4.475 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.279 1.041 4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.504 -0.232 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.472 0.253 2.846 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.154 0.051 2.298 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.568 0.454 2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.029 -1.236 1.969 1.00 0.00 H new ATOM 672 N GLN A 46 3.053 -1.897 -4.079 1.00 0.00 N ATOM 673 CA GLN A 46 3.406 -3.306 -3.946 1.00 0.00 C ATOM 674 C GLN A 46 2.537 -4.002 -2.907 1.00 0.00 C ATOM 675 O GLN A 46 1.644 -4.769 -3.256 1.00 0.00 O ATOM 676 CB GLN A 46 4.878 -3.446 -3.592 1.00 0.00 C ATOM 677 CG GLN A 46 5.797 -2.898 -4.668 1.00 0.00 C ATOM 678 CD GLN A 46 7.223 -2.770 -4.189 1.00 0.00 C ATOM 679 OE1 GLN A 46 7.797 -1.681 -4.176 1.00 0.00 O ATOM 680 NE2 GLN A 46 7.800 -3.891 -3.794 1.00 0.00 N ATOM 0 HA GLN A 46 3.225 -3.791 -4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 46 5.073 -2.925 -2.655 1.00 0.00 H new ATOM 0 HB3 GLN A 46 5.108 -4.498 -3.425 1.00 0.00 H new ATOM 0 HG2 GLN A 46 5.765 -3.553 -5.539 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.435 -1.922 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 46 7.282 -4.769 -3.824 1.00 0.00 H new ATOM 0 HE22 GLN A 46 8.763 -3.878 -3.459 1.00 0.00 H new ATOM 689 N TYR A 47 2.800 -3.736 -1.633 1.00 0.00 N ATOM 690 CA TYR A 47 2.026 -4.348 -0.555 1.00 0.00 C ATOM 691 C TYR A 47 2.404 -5.813 -0.378 1.00 0.00 C ATOM 692 O TYR A 47 2.295 -6.612 -1.306 1.00 0.00 O ATOM 693 CB TYR A 47 0.527 -4.221 -0.837 1.00 0.00 C ATOM 694 CG TYR A 47 0.141 -2.892 -1.442 1.00 0.00 C ATOM 695 CD1 TYR A 47 0.149 -1.734 -0.677 1.00 0.00 C ATOM 696 CD2 TYR A 47 -0.224 -2.794 -2.779 1.00 0.00 C ATOM 697 CE1 TYR A 47 -0.199 -0.515 -1.224 1.00 0.00 C ATOM 698 CE2 TYR A 47 -0.573 -1.578 -3.334 1.00 0.00 C ATOM 699 CZ TYR A 47 -0.560 -0.441 -2.553 1.00 0.00 C ATOM 700 OH TYR A 47 -0.908 0.772 -3.103 1.00 0.00 O ATOM 0 H TYR A 47 3.538 -3.105 -1.320 1.00 0.00 H new ATOM 0 HA TYR A 47 2.257 -3.820 0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.223 -5.021 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.023 -4.362 0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.432 -1.787 0.364 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.235 -3.682 -3.394 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.189 0.376 -0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.855 -1.518 -4.375 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.688 1.133 -2.632 1.00 0.00 H new ATOM 710 N GLY A 48 2.852 -6.153 0.825 1.00 0.00 N ATOM 711 CA GLY A 48 3.248 -7.520 1.113 1.00 0.00 C ATOM 712 C GLY A 48 2.061 -8.456 1.247 1.00 0.00 C ATOM 713 O GLY A 48 1.081 -8.135 1.915 1.00 0.00 O ATOM 0 H GLY A 48 2.948 -5.506 1.608 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.902 -7.880 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.827 -7.540 2.036 1.00 0.00 H new ATOM 717 N PHE A 49 2.148 -9.608 0.590 1.00 0.00 N ATOM 718 CA PHE A 49 1.073 -10.593 0.617 1.00 0.00 C ATOM 719 C PHE A 49 1.411 -11.796 1.492 1.00 0.00 C ATOM 720 O PHE A 49 2.507 -12.352 1.413 1.00 0.00 O ATOM 721 CB PHE A 49 0.781 -11.077 -0.800 1.00 0.00 C ATOM 722 CG PHE A 49 -0.140 -10.174 -1.557 1.00 0.00 C ATOM 723 CD1 PHE A 49 -0.034 -8.801 -1.434 1.00 0.00 C ATOM 724 CD2 PHE A 49 -1.120 -10.700 -2.376 1.00 0.00 C ATOM 725 CE1 PHE A 49 -0.888 -7.965 -2.116 1.00 0.00 C ATOM 726 CE2 PHE A 49 -1.984 -9.872 -3.062 1.00 0.00 C ATOM 727 CZ PHE A 49 -1.869 -8.499 -2.932 1.00 0.00 C ATOM 0 H PHE A 49 2.955 -9.883 0.030 1.00 0.00 H new ATOM 0 HA PHE A 49 0.198 -10.102 1.043 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.720 -11.167 -1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.343 -12.074 -0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.728 -8.380 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.211 -11.771 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -0.793 -6.894 -2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.748 -10.294 -3.699 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.543 -7.846 -3.466 1.00 0.00 H new ATOM 737 N THR A 50 0.441 -12.209 2.300 1.00 0.00 N ATOM 738 CA THR A 50 0.599 -13.371 3.171 1.00 0.00 C ATOM 739 C THR A 50 -0.614 -14.285 3.032 1.00 0.00 C ATOM 740 O THR A 50 -1.638 -13.888 2.480 1.00 0.00 O ATOM 741 CB THR A 50 0.770 -12.947 4.632 1.00 0.00 C ATOM 742 OG1 THR A 50 1.259 -14.023 5.409 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.519 -12.471 5.264 1.00 0.00 C ATOM 0 H THR A 50 -0.469 -11.754 2.371 1.00 0.00 H new ATOM 0 HA THR A 50 1.498 -13.908 2.868 1.00 0.00 H new ATOM 0 HB THR A 50 1.478 -12.119 4.617 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.364 -13.734 6.339 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.333 -12.185 6.299 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.899 -11.611 4.712 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.256 -13.274 5.237 1.00 0.00 H new ATOM 751 N PHE A 51 -0.501 -15.505 3.536 1.00 0.00 N ATOM 752 CA PHE A 51 -1.595 -16.457 3.460 1.00 0.00 C ATOM 753 C PHE A 51 -2.215 -16.629 4.835 1.00 0.00 C ATOM 754 O PHE A 51 -1.695 -17.338 5.688 1.00 0.00 O ATOM 755 CB PHE A 51 -1.074 -17.771 2.876 1.00 0.00 C ATOM 756 CG PHE A 51 -0.060 -17.511 1.804 1.00 0.00 C ATOM 757 CD1 PHE A 51 -0.455 -17.013 0.573 1.00 0.00 C ATOM 758 CD2 PHE A 51 1.290 -17.705 2.043 1.00 0.00 C ATOM 759 CE1 PHE A 51 0.478 -16.712 -0.400 1.00 0.00 C ATOM 760 CE2 PHE A 51 2.228 -17.417 1.072 1.00 0.00 C ATOM 761 CZ PHE A 51 1.824 -16.917 -0.150 1.00 0.00 C ATOM 0 H PHE A 51 0.336 -15.857 4.001 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.382 -16.093 2.799 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.628 -18.374 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.904 -18.347 2.466 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.505 -16.858 0.372 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.613 -18.086 3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.158 -16.318 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 51 3.277 -17.583 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.557 -16.686 -0.909 1.00 0.00 H new ATOM 771 N ASP A 52 -3.317 -15.917 5.039 1.00 0.00 N ATOM 772 CA ASP A 52 -4.020 -15.914 6.319 1.00 0.00 C ATOM 773 C ASP A 52 -5.441 -16.474 6.197 1.00 0.00 C ATOM 774 O ASP A 52 -6.334 -15.825 5.651 1.00 0.00 O ATOM 775 CB ASP A 52 -4.048 -14.478 6.852 1.00 0.00 C ATOM 776 CG ASP A 52 -5.018 -14.275 7.992 1.00 0.00 C ATOM 777 OD1 ASP A 52 -6.238 -14.398 7.772 1.00 0.00 O ATOM 778 OD2 ASP A 52 -4.550 -13.992 9.121 1.00 0.00 O ATOM 0 H ASP A 52 -3.748 -15.328 4.327 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.490 -16.565 7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.047 -14.203 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.310 -13.802 6.038 1.00 0.00 H new ATOM 783 N GLU A 53 -5.633 -17.690 6.705 1.00 0.00 N ATOM 784 CA GLU A 53 -6.931 -18.359 6.658 1.00 0.00 C ATOM 785 C GLU A 53 -7.860 -17.927 7.798 1.00 0.00 C ATOM 786 O GLU A 53 -9.071 -18.078 7.690 1.00 0.00 O ATOM 787 CB GLU A 53 -6.736 -19.876 6.719 1.00 0.00 C ATOM 788 CG GLU A 53 -7.363 -20.614 5.551 1.00 0.00 C ATOM 789 CD GLU A 53 -8.553 -21.458 5.960 1.00 0.00 C ATOM 790 OE1 GLU A 53 -9.098 -21.225 7.058 1.00 0.00 O ATOM 791 OE2 GLU A 53 -8.939 -22.348 5.180 1.00 0.00 O ATOM 0 H GLU A 53 -4.899 -18.235 7.157 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.403 -18.070 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.669 -20.096 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.164 -20.252 7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.677 -19.892 4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.613 -21.253 5.086 1.00 0.00 H new ATOM 881 N LEU A 60 -10.519 -5.996 5.584 1.00 0.00 N ATOM 882 CA LEU A 60 -11.426 -5.949 4.447 1.00 0.00 C ATOM 883 C LEU A 60 -11.069 -7.096 3.515 1.00 0.00 C ATOM 884 O LEU A 60 -9.908 -7.255 3.138 1.00 0.00 O ATOM 885 CB LEU A 60 -11.342 -4.609 3.720 1.00 0.00 C ATOM 886 CG LEU A 60 -11.245 -3.375 4.621 1.00 0.00 C ATOM 887 CD1 LEU A 60 -11.718 -2.142 3.873 1.00 0.00 C ATOM 888 CD2 LEU A 60 -12.058 -3.563 5.896 1.00 0.00 C ATOM 0 HA LEU A 60 -12.454 -6.051 4.794 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.473 -4.626 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.221 -4.505 3.084 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.201 -3.241 4.902 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.644 -1.271 4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.095 -1.990 2.992 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.755 -2.278 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.971 -2.672 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.105 -3.726 5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.680 -4.426 6.444 1.00 0.00 H new ATOM 900 N THR A 61 -12.043 -7.935 3.194 1.00 0.00 N ATOM 901 CA THR A 61 -11.772 -9.101 2.364 1.00 0.00 C ATOM 902 C THR A 61 -12.405 -9.036 0.976 1.00 0.00 C ATOM 903 O THR A 61 -13.572 -8.683 0.808 1.00 0.00 O ATOM 904 CB THR A 61 -12.225 -10.368 3.093 1.00 0.00 C ATOM 905 OG1 THR A 61 -13.586 -10.640 2.833 1.00 0.00 O ATOM 906 CG2 THR A 61 -12.043 -10.288 4.594 1.00 0.00 C ATOM 0 H THR A 61 -13.014 -7.834 3.490 1.00 0.00 H new ATOM 0 HA THR A 61 -10.695 -9.119 2.199 1.00 0.00 H new ATOM 0 HB THR A 61 -11.590 -11.166 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 61 -13.853 -11.455 3.308 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.383 -11.217 5.052 1.00 0.00 H new ATOM 0 HG22 THR A 61 -10.989 -10.134 4.825 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.626 -9.455 4.987 1.00 0.00 H new ATOM 914 N ILE A 62 -11.595 -9.424 -0.006 1.00 0.00 N ATOM 915 CA ILE A 62 -11.981 -9.480 -1.408 1.00 0.00 C ATOM 916 C ILE A 62 -11.710 -10.895 -1.922 1.00 0.00 C ATOM 917 O ILE A 62 -10.603 -11.400 -1.774 1.00 0.00 O ATOM 918 CB ILE A 62 -11.172 -8.471 -2.257 1.00 0.00 C ATOM 919 CG1 ILE A 62 -9.845 -8.119 -1.569 1.00 0.00 C ATOM 920 CG2 ILE A 62 -11.988 -7.216 -2.518 1.00 0.00 C ATOM 921 CD1 ILE A 62 -9.981 -7.127 -0.430 1.00 0.00 C ATOM 0 H ILE A 62 -10.631 -9.714 0.158 1.00 0.00 H new ATOM 0 HA ILE A 62 -13.037 -9.224 -1.494 1.00 0.00 H new ATOM 0 HB ILE A 62 -10.945 -8.939 -3.215 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.392 -9.034 -1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -9.160 -7.711 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -11.402 -6.519 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.899 -7.479 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -12.250 -6.748 -1.569 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -8.999 -6.932 0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -10.403 -6.195 -0.807 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.639 -7.539 0.335 1.00 0.00 H new ATOM 933 N GLU A 63 -12.710 -11.551 -2.498 1.00 0.00 N ATOM 934 CA GLU A 63 -12.521 -12.917 -2.984 1.00 0.00 C ATOM 935 C GLU A 63 -11.421 -12.986 -4.036 1.00 0.00 C ATOM 936 O GLU A 63 -11.135 -12.000 -4.715 1.00 0.00 O ATOM 937 CB GLU A 63 -13.823 -13.466 -3.550 1.00 0.00 C ATOM 938 CG GLU A 63 -13.829 -14.978 -3.707 1.00 0.00 C ATOM 939 CD GLU A 63 -13.684 -15.414 -5.152 1.00 0.00 C ATOM 940 OE1 GLU A 63 -13.048 -14.676 -5.934 1.00 0.00 O ATOM 941 OE2 GLU A 63 -14.207 -16.493 -5.502 1.00 0.00 O ATOM 0 H GLU A 63 -13.645 -11.170 -2.640 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.216 -13.531 -2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -14.645 -13.174 -2.897 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.009 -13.008 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.016 -15.404 -3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.759 -15.378 -3.302 1.00 0.00 H new ATOM 948 N LYS A 64 -10.791 -14.155 -4.154 1.00 0.00 N ATOM 949 CA LYS A 64 -9.708 -14.344 -5.106 1.00 0.00 C ATOM 950 C LYS A 64 -10.038 -15.425 -6.128 1.00 0.00 C ATOM 951 O LYS A 64 -11.020 -16.156 -5.991 1.00 0.00 O ATOM 952 CB LYS A 64 -8.429 -14.690 -4.352 1.00 0.00 C ATOM 953 CG LYS A 64 -8.064 -13.633 -3.327 1.00 0.00 C ATOM 954 CD LYS A 64 -6.788 -13.966 -2.569 1.00 0.00 C ATOM 955 CE LYS A 64 -5.581 -13.997 -3.489 1.00 0.00 C ATOM 956 NZ LYS A 64 -4.952 -15.342 -3.523 1.00 0.00 N ATOM 0 H LYS A 64 -11.015 -14.982 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.567 -13.414 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.553 -15.651 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.610 -14.803 -5.062 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.944 -12.673 -3.829 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.884 -13.522 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.628 -13.228 -1.783 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.897 -14.934 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.884 -13.711 -4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.849 -13.261 -3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.998 -15.269 -3.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.888 -15.720 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.529 -15.981 -4.107 1.00 0.00 H new ATOM 970 N SER A 65 -9.209 -15.502 -7.159 1.00 0.00 N ATOM 971 CA SER A 65 -9.383 -16.467 -8.240 1.00 0.00 C ATOM 972 C SER A 65 -9.653 -17.876 -7.725 1.00 0.00 C ATOM 973 O SER A 65 -10.504 -18.586 -8.263 1.00 0.00 O ATOM 974 CB SER A 65 -8.141 -16.475 -9.127 1.00 0.00 C ATOM 975 OG SER A 65 -8.488 -16.359 -10.496 1.00 0.00 O ATOM 0 H SER A 65 -8.395 -14.897 -7.272 1.00 0.00 H new ATOM 0 HA SER A 65 -10.256 -16.157 -8.814 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.484 -15.652 -8.845 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.583 -17.398 -8.968 1.00 0.00 H new ATOM 0 HG SER A 65 -7.674 -16.365 -11.041 1.00 0.00 H new ATOM 981 N GLY A 66 -8.916 -18.289 -6.702 1.00 0.00 N ATOM 982 CA GLY A 66 -9.090 -19.622 -6.163 1.00 0.00 C ATOM 983 C GLY A 66 -9.087 -19.663 -4.648 1.00 0.00 C ATOM 984 O GLY A 66 -8.992 -20.738 -4.051 1.00 0.00 O ATOM 0 H GLY A 66 -8.203 -17.726 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.031 -20.034 -6.528 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.294 -20.265 -6.538 1.00 0.00 H new ATOM 988 N VAL A 67 -9.186 -18.498 -4.026 1.00 0.00 N ATOM 989 CA VAL A 67 -9.187 -18.403 -2.571 1.00 0.00 C ATOM 990 C VAL A 67 -9.895 -17.118 -2.120 1.00 0.00 C ATOM 991 O VAL A 67 -10.920 -16.743 -2.689 1.00 0.00 O ATOM 992 CB VAL A 67 -7.744 -18.442 -2.025 1.00 0.00 C ATOM 993 CG1 VAL A 67 -7.044 -19.718 -2.454 1.00 0.00 C ATOM 994 CG2 VAL A 67 -6.968 -17.227 -2.496 1.00 0.00 C ATOM 0 H VAL A 67 -9.267 -17.602 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.730 -19.258 -2.170 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.788 -18.425 -0.936 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.028 -19.726 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.590 -20.579 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.010 -19.766 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.952 -17.269 -2.103 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.935 -17.216 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.458 -16.321 -2.139 1.00 0.00 H new ATOM 1004 N GLN A 68 -9.352 -16.438 -1.108 1.00 0.00 N ATOM 1005 CA GLN A 68 -9.947 -15.203 -0.617 1.00 0.00 C ATOM 1006 C GLN A 68 -8.864 -14.202 -0.215 1.00 0.00 C ATOM 1007 O GLN A 68 -7.882 -14.561 0.432 1.00 0.00 O ATOM 1008 CB GLN A 68 -10.863 -15.496 0.575 1.00 0.00 C ATOM 1009 CG GLN A 68 -12.342 -15.322 0.261 1.00 0.00 C ATOM 1010 CD GLN A 68 -12.889 -13.993 0.742 1.00 0.00 C ATOM 1011 OE1 GLN A 68 -12.087 -12.944 0.612 1.00 0.00 O flip ATOM 1012 NE2 GLN A 68 -14.014 -13.910 1.219 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.505 -16.724 -0.617 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.539 -14.764 -1.420 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.689 -16.517 0.914 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.595 -14.836 1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.493 -15.404 -0.815 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.906 -16.132 0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.596 -14.743 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.368 -13.007 1.535 1.00 0.00 H new ATOM 1021 N LEU A 69 -9.050 -12.944 -0.603 1.00 0.00 N ATOM 1022 CA LEU A 69 -8.088 -11.897 -0.274 1.00 0.00 C ATOM 1023 C LEU A 69 -8.592 -11.059 0.892 1.00 0.00 C ATOM 1024 O LEU A 69 -9.759 -10.687 0.938 1.00 0.00 O ATOM 1025 CB LEU A 69 -7.822 -10.998 -1.488 1.00 0.00 C ATOM 1026 CG LEU A 69 -6.912 -9.791 -1.235 1.00 0.00 C ATOM 1027 CD1 LEU A 69 -5.803 -10.132 -0.249 1.00 0.00 C ATOM 1028 CD2 LEU A 69 -6.314 -9.311 -2.543 1.00 0.00 C ATOM 0 H LEU A 69 -9.854 -12.625 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.153 -12.377 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.378 -11.606 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.778 -10.636 -1.865 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.517 -8.996 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.175 -9.255 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.242 -10.440 0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.197 -10.945 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.669 -8.453 -2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.729 -10.114 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.114 -9.021 -3.224 1.00 0.00 H new ATOM 1040 N VAL A 70 -7.713 -10.780 1.842 1.00 0.00 N ATOM 1041 CA VAL A 70 -8.085 -9.997 3.012 1.00 0.00 C ATOM 1042 C VAL A 70 -6.936 -9.075 3.428 1.00 0.00 C ATOM 1043 O VAL A 70 -5.911 -9.523 3.933 1.00 0.00 O ATOM 1044 CB VAL A 70 -8.521 -10.925 4.179 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -8.994 -12.266 3.638 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -7.402 -11.138 5.189 1.00 0.00 C ATOM 0 H VAL A 70 -6.739 -11.083 1.827 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.938 -9.370 2.754 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.343 -10.430 4.696 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.296 -12.906 4.467 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.842 -12.111 2.971 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.183 -12.743 3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.752 -11.793 5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.546 -11.596 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.106 -10.178 5.611 1.00 0.00 H new ATOM 1056 N ILE A 71 -7.100 -7.779 3.195 1.00 0.00 N ATOM 1057 CA ILE A 71 -6.050 -6.821 3.535 1.00 0.00 C ATOM 1058 C ILE A 71 -6.386 -6.032 4.797 1.00 0.00 C ATOM 1059 O ILE A 71 -7.493 -6.120 5.327 1.00 0.00 O ATOM 1060 CB ILE A 71 -5.740 -5.852 2.366 1.00 0.00 C ATOM 1061 CG1 ILE A 71 -6.692 -4.653 2.362 1.00 0.00 C ATOM 1062 CG2 ILE A 71 -5.810 -6.586 1.036 1.00 0.00 C ATOM 1063 CD1 ILE A 71 -8.149 -5.041 2.324 1.00 0.00 C ATOM 0 H ILE A 71 -7.936 -7.369 2.778 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.154 -7.411 3.729 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.728 -5.473 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.508 -4.050 3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.469 -4.025 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.590 -5.892 0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.080 -7.396 1.028 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.810 -6.998 0.900 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -8.765 -4.142 2.323 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.348 -5.618 1.421 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.388 -5.644 3.200 1.00 0.00 H new ATOM 1075 N ASP A 72 -5.404 -5.278 5.278 1.00 0.00 N ATOM 1076 CA ASP A 72 -5.563 -4.481 6.493 1.00 0.00 C ATOM 1077 C ASP A 72 -6.004 -3.049 6.176 1.00 0.00 C ATOM 1078 O ASP A 72 -5.597 -2.474 5.167 1.00 0.00 O ATOM 1079 CB ASP A 72 -4.243 -4.466 7.268 1.00 0.00 C ATOM 1080 CG ASP A 72 -4.297 -3.603 8.514 1.00 0.00 C ATOM 1081 OD1 ASP A 72 -4.290 -2.361 8.377 1.00 0.00 O ATOM 1082 OD2 ASP A 72 -4.347 -4.169 9.626 1.00 0.00 O ATOM 0 H ASP A 72 -4.484 -5.201 4.844 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.344 -4.938 7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.982 -5.486 7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.449 -4.103 6.615 1.00 0.00 H new ATOM 1087 N PRO A 73 -6.849 -2.455 7.044 1.00 0.00 N ATOM 1088 CA PRO A 73 -7.354 -1.088 6.865 1.00 0.00 C ATOM 1089 C PRO A 73 -6.269 -0.104 6.440 1.00 0.00 C ATOM 1090 O PRO A 73 -6.513 0.794 5.637 1.00 0.00 O ATOM 1091 CB PRO A 73 -7.884 -0.736 8.253 1.00 0.00 C ATOM 1092 CG PRO A 73 -8.331 -2.038 8.816 1.00 0.00 C ATOM 1093 CD PRO A 73 -7.388 -3.078 8.270 1.00 0.00 C ATOM 0 HA PRO A 73 -8.100 -1.030 6.072 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.110 -0.280 8.871 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.707 -0.024 8.196 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.303 -2.021 9.906 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -9.359 -2.255 8.527 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.596 -3.313 8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.906 -4.012 8.050 1.00 0.00 H new ATOM 1101 N MET A 74 -5.065 -0.272 6.971 1.00 0.00 N ATOM 1102 CA MET A 74 -3.962 0.606 6.622 1.00 0.00 C ATOM 1103 C MET A 74 -3.765 0.593 5.107 1.00 0.00 C ATOM 1104 O MET A 74 -3.593 1.630 4.468 1.00 0.00 O ATOM 1105 CB MET A 74 -2.688 0.174 7.367 1.00 0.00 C ATOM 1106 CG MET A 74 -1.396 0.330 6.577 1.00 0.00 C ATOM 1107 SD MET A 74 0.021 0.693 7.631 1.00 0.00 S ATOM 1108 CE MET A 74 -0.436 2.301 8.272 1.00 0.00 C ATOM 0 H MET A 74 -4.831 -1.004 7.641 1.00 0.00 H new ATOM 0 HA MET A 74 -4.188 1.628 6.927 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.607 0.756 8.285 1.00 0.00 H new ATOM 0 HB3 MET A 74 -2.793 -0.871 7.660 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.203 -0.586 6.018 1.00 0.00 H new ATOM 0 HG3 MET A 74 -1.515 1.130 5.847 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.465 2.875 8.491 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.033 2.832 7.531 1.00 0.00 H new ATOM 0 HE3 MET A 74 -1.018 2.177 9.185 1.00 0.00 H new ATOM 1118 N SER A 75 -3.820 -0.589 4.534 1.00 0.00 N ATOM 1119 CA SER A 75 -3.676 -0.725 3.100 1.00 0.00 C ATOM 1120 C SER A 75 -4.944 -0.252 2.396 1.00 0.00 C ATOM 1121 O SER A 75 -4.888 0.254 1.277 1.00 0.00 O ATOM 1122 CB SER A 75 -3.381 -2.181 2.732 1.00 0.00 C ATOM 1123 OG SER A 75 -2.545 -2.793 3.700 1.00 0.00 O ATOM 0 H SER A 75 -3.963 -1.466 5.035 1.00 0.00 H new ATOM 0 HA SER A 75 -2.841 -0.106 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.316 -2.736 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.901 -2.222 1.754 1.00 0.00 H new ATOM 0 HG SER A 75 -2.373 -3.723 3.443 1.00 0.00 H new ATOM 1129 N LEU A 76 -6.093 -0.429 3.055 1.00 0.00 N ATOM 1130 CA LEU A 76 -7.384 -0.035 2.483 1.00 0.00 C ATOM 1131 C LEU A 76 -7.301 1.307 1.764 1.00 0.00 C ATOM 1132 O LEU A 76 -7.823 1.457 0.662 1.00 0.00 O ATOM 1133 CB LEU A 76 -8.466 -0.002 3.571 1.00 0.00 C ATOM 1134 CG LEU A 76 -9.417 1.202 3.544 1.00 0.00 C ATOM 1135 CD1 LEU A 76 -10.683 0.878 4.299 1.00 0.00 C ATOM 1136 CD2 LEU A 76 -8.752 2.418 4.156 1.00 0.00 C ATOM 0 H LEU A 76 -6.155 -0.843 3.985 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.656 -0.784 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -9.062 -0.911 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.975 -0.029 4.544 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.665 1.424 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.352 1.738 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.175 0.023 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.438 0.638 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.441 3.262 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.482 2.203 5.190 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.853 2.665 3.590 1.00 0.00 H new ATOM 1148 N GLN A 77 -6.659 2.277 2.398 1.00 0.00 N ATOM 1149 CA GLN A 77 -6.530 3.604 1.815 1.00 0.00 C ATOM 1150 C GLN A 77 -5.352 3.678 0.845 1.00 0.00 C ATOM 1151 O GLN A 77 -5.297 4.568 -0.001 1.00 0.00 O ATOM 1152 CB GLN A 77 -6.433 4.679 2.912 1.00 0.00 C ATOM 1153 CG GLN A 77 -5.021 5.136 3.259 1.00 0.00 C ATOM 1154 CD GLN A 77 -4.638 4.777 4.677 1.00 0.00 C ATOM 1155 OE1 GLN A 77 -4.747 3.498 5.003 1.00 0.00 O flip ATOM 1156 NE2 GLN A 77 -4.249 5.637 5.468 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.221 2.171 3.313 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.432 3.804 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.010 5.548 2.597 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.904 4.294 3.816 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.313 4.681 2.567 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.947 6.215 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -4.181 6.610 5.171 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.994 5.376 6.421 1.00 0.00 H new ATOM 1165 N TYR A 78 -4.414 2.742 0.967 1.00 0.00 N ATOM 1166 CA TYR A 78 -3.253 2.719 0.089 1.00 0.00 C ATOM 1167 C TYR A 78 -3.566 2.004 -1.225 1.00 0.00 C ATOM 1168 O TYR A 78 -3.096 2.406 -2.290 1.00 0.00 O ATOM 1169 CB TYR A 78 -2.075 2.020 0.769 1.00 0.00 C ATOM 1170 CG TYR A 78 -1.434 2.818 1.879 1.00 0.00 C ATOM 1171 CD1 TYR A 78 -2.188 3.299 2.939 1.00 0.00 C ATOM 1172 CD2 TYR A 78 -0.069 3.075 1.875 1.00 0.00 C ATOM 1173 CE1 TYR A 78 -1.602 4.015 3.966 1.00 0.00 C ATOM 1174 CE2 TYR A 78 0.525 3.791 2.896 1.00 0.00 C ATOM 1175 CZ TYR A 78 -0.246 4.260 3.938 1.00 0.00 C ATOM 1176 OH TYR A 78 0.343 4.971 4.959 1.00 0.00 O ATOM 0 H TYR A 78 -4.437 1.995 1.661 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.989 3.755 -0.125 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.417 1.068 1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.319 1.794 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.251 3.111 2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.538 2.709 1.060 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.203 4.380 4.785 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.588 3.982 2.878 1.00 0.00 H new ATOM 0 HH TYR A 78 1.304 5.054 4.787 1.00 0.00 H new ATOM 1186 N LEU A 79 -4.335 0.922 -1.136 1.00 0.00 N ATOM 1187 CA LEU A 79 -4.683 0.122 -2.314 1.00 0.00 C ATOM 1188 C LEU A 79 -5.974 0.572 -3.001 1.00 0.00 C ATOM 1189 O LEU A 79 -6.251 0.167 -4.126 1.00 0.00 O ATOM 1190 CB LEU A 79 -4.722 -1.381 -1.986 1.00 0.00 C ATOM 1191 CG LEU A 79 -5.791 -1.897 -1.001 1.00 0.00 C ATOM 1192 CD1 LEU A 79 -5.151 -2.231 0.328 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -6.929 -0.912 -0.797 1.00 0.00 C ATOM 0 H LEU A 79 -4.731 0.576 -0.262 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.883 0.295 -3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.849 -1.921 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.745 -1.658 -1.589 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.223 -2.795 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.913 -2.595 1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.394 -3.002 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.684 -1.337 0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.650 -1.330 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.534 0.023 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.421 -0.721 -1.751 1.00 0.00 H new ATOM 1205 N ILE A 80 -6.783 1.362 -2.301 1.00 0.00 N ATOM 1206 CA ILE A 80 -8.086 1.820 -2.814 1.00 0.00 C ATOM 1207 C ILE A 80 -8.245 1.658 -4.331 1.00 0.00 C ATOM 1208 O ILE A 80 -7.468 2.185 -5.127 1.00 0.00 O ATOM 1209 CB ILE A 80 -8.347 3.302 -2.469 1.00 0.00 C ATOM 1210 CG1 ILE A 80 -7.432 4.215 -3.284 1.00 0.00 C ATOM 1211 CG2 ILE A 80 -8.152 3.550 -0.989 1.00 0.00 C ATOM 1212 CD1 ILE A 80 -5.965 3.931 -3.074 1.00 0.00 C ATOM 0 H ILE A 80 -6.562 1.705 -1.366 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.812 1.175 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.382 3.531 -2.724 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.669 4.104 -4.342 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.636 5.252 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -8.341 4.601 -0.768 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.846 2.929 -0.422 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.129 3.299 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.372 4.614 -3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.714 4.070 -2.022 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.748 2.904 -3.366 1.00 0.00 H new ATOM 1224 N GLY A 81 -9.295 0.926 -4.689 1.00 0.00 N ATOM 1225 CA GLY A 81 -9.656 0.659 -6.076 1.00 0.00 C ATOM 1226 C GLY A 81 -8.505 0.647 -7.072 1.00 0.00 C ATOM 1227 O GLY A 81 -8.685 1.055 -8.220 1.00 0.00 O ATOM 0 H GLY A 81 -9.927 0.496 -4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.160 -0.307 -6.121 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.379 1.410 -6.394 1.00 0.00 H new ATOM 1231 N GLY A 82 -7.339 0.165 -6.664 1.00 0.00 N ATOM 1232 CA GLY A 82 -6.217 0.106 -7.587 1.00 0.00 C ATOM 1233 C GLY A 82 -6.226 -1.181 -8.393 1.00 0.00 C ATOM 1234 O GLY A 82 -7.287 -1.763 -8.624 1.00 0.00 O ATOM 0 H GLY A 82 -7.148 -0.182 -5.724 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.255 0.960 -8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.283 0.182 -7.031 1.00 0.00 H new ATOM 1238 N THR A 83 -5.050 -1.641 -8.809 1.00 0.00 N ATOM 1239 CA THR A 83 -4.942 -2.883 -9.573 1.00 0.00 C ATOM 1240 C THR A 83 -3.601 -3.558 -9.304 1.00 0.00 C ATOM 1241 O THR A 83 -2.552 -2.924 -9.395 1.00 0.00 O ATOM 1242 CB THR A 83 -5.102 -2.626 -11.070 1.00 0.00 C ATOM 1243 OG1 THR A 83 -6.432 -2.246 -11.376 1.00 0.00 O ATOM 1244 CG2 THR A 83 -4.763 -3.840 -11.910 1.00 0.00 C ATOM 0 H THR A 83 -4.160 -1.175 -8.632 1.00 0.00 H new ATOM 0 HA THR A 83 -5.747 -3.544 -9.250 1.00 0.00 H new ATOM 0 HB THR A 83 -4.404 -1.824 -11.310 1.00 0.00 H new ATOM 0 HG1 THR A 83 -6.951 -2.174 -10.548 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.894 -3.600 -12.965 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.728 -4.130 -11.730 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.423 -4.665 -11.640 1.00 0.00 H new ATOM 1252 N VAL A 84 -3.638 -4.847 -8.980 1.00 0.00 N ATOM 1253 CA VAL A 84 -2.412 -5.590 -8.701 1.00 0.00 C ATOM 1254 C VAL A 84 -2.268 -6.807 -9.603 1.00 0.00 C ATOM 1255 O VAL A 84 -3.254 -7.384 -10.057 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.318 -6.049 -7.215 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -3.560 -5.668 -6.426 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.057 -7.547 -7.106 1.00 0.00 C ATOM 0 H VAL A 84 -4.495 -5.395 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.598 -4.894 -8.903 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.469 -5.523 -6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.454 -6.006 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.683 -4.585 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.435 -6.139 -6.874 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.998 -7.830 -6.055 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.870 -8.094 -7.584 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.117 -7.789 -7.601 1.00 0.00 H new ATOM 1268 N ASP A 85 -1.023 -7.204 -9.824 1.00 0.00 N ATOM 1269 CA ASP A 85 -0.721 -8.373 -10.631 1.00 0.00 C ATOM 1270 C ASP A 85 0.585 -9.005 -10.171 1.00 0.00 C ATOM 1271 O ASP A 85 1.519 -8.304 -9.783 1.00 0.00 O ATOM 1272 CB ASP A 85 -0.650 -8.012 -12.115 1.00 0.00 C ATOM 1273 CG ASP A 85 0.044 -6.686 -12.360 1.00 0.00 C ATOM 1274 OD1 ASP A 85 -0.630 -5.638 -12.274 1.00 0.00 O ATOM 1275 OD2 ASP A 85 1.262 -6.695 -12.637 1.00 0.00 O ATOM 0 H ASP A 85 -0.201 -6.728 -9.452 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.526 -9.096 -10.501 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.121 -8.799 -12.652 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.660 -7.970 -12.524 1.00 0.00 H new ATOM 1280 N TYR A 86 0.645 -10.330 -10.205 1.00 0.00 N ATOM 1281 CA TYR A 86 1.837 -11.043 -9.776 1.00 0.00 C ATOM 1282 C TYR A 86 2.491 -11.774 -10.938 1.00 0.00 C ATOM 1283 O TYR A 86 1.814 -12.248 -11.851 1.00 0.00 O ATOM 1284 CB TYR A 86 1.478 -12.031 -8.674 1.00 0.00 C ATOM 1285 CG TYR A 86 2.292 -11.860 -7.417 1.00 0.00 C ATOM 1286 CD1 TYR A 86 3.669 -12.030 -7.433 1.00 0.00 C ATOM 1287 CD2 TYR A 86 1.684 -11.536 -6.215 1.00 0.00 C ATOM 1288 CE1 TYR A 86 4.417 -11.882 -6.283 1.00 0.00 C ATOM 1289 CE2 TYR A 86 2.423 -11.383 -5.059 1.00 0.00 C ATOM 1290 CZ TYR A 86 3.791 -11.558 -5.097 1.00 0.00 C ATOM 1291 OH TYR A 86 4.534 -11.409 -3.948 1.00 0.00 O ATOM 0 H TYR A 86 -0.116 -10.929 -10.524 1.00 0.00 H new ATOM 0 HA TYR A 86 2.551 -10.314 -9.393 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.421 -11.921 -8.430 1.00 0.00 H new ATOM 0 HB3 TYR A 86 1.614 -13.045 -9.049 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.163 -12.282 -8.360 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.613 -11.401 -6.182 1.00 0.00 H new ATOM 0 HE1 TYR A 86 5.488 -12.019 -6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.933 -11.128 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 86 3.941 -11.180 -3.202 1.00 0.00 H new ATOM 1301 N THR A 87 3.812 -11.870 -10.890 1.00 0.00 N ATOM 1302 CA THR A 87 4.563 -12.553 -11.928 1.00 0.00 C ATOM 1303 C THR A 87 5.831 -13.177 -11.355 1.00 0.00 C ATOM 1304 O THR A 87 6.887 -12.548 -11.325 1.00 0.00 O ATOM 1305 CB THR A 87 4.918 -11.582 -13.054 1.00 0.00 C ATOM 1306 OG1 THR A 87 3.746 -11.030 -13.627 1.00 0.00 O ATOM 1307 CG2 THR A 87 5.718 -12.221 -14.170 1.00 0.00 C ATOM 0 H THR A 87 4.385 -11.482 -10.141 1.00 0.00 H new ATOM 0 HA THR A 87 3.938 -13.349 -12.333 1.00 0.00 H new ATOM 0 HB THR A 87 5.531 -10.812 -12.587 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.993 -10.410 -14.344 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.935 -11.476 -14.935 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.653 -12.613 -13.769 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.142 -13.035 -14.610 1.00 0.00 H new ATOM 1413 N PHE A 95 6.226 -8.301 -7.741 1.00 0.00 N ATOM 1414 CA PHE A 95 4.878 -7.833 -7.443 1.00 0.00 C ATOM 1415 C PHE A 95 4.707 -6.378 -7.854 1.00 0.00 C ATOM 1416 O PHE A 95 5.536 -5.530 -7.529 1.00 0.00 O ATOM 1417 CB PHE A 95 4.572 -7.990 -5.952 1.00 0.00 C ATOM 1418 CG PHE A 95 3.103 -7.981 -5.639 1.00 0.00 C ATOM 1419 CD1 PHE A 95 2.206 -8.650 -6.455 1.00 0.00 C ATOM 1420 CD2 PHE A 95 2.618 -7.305 -4.528 1.00 0.00 C ATOM 1421 CE1 PHE A 95 0.856 -8.646 -6.173 1.00 0.00 C ATOM 1422 CE2 PHE A 95 1.268 -7.300 -4.242 1.00 0.00 C ATOM 1423 CZ PHE A 95 0.386 -7.971 -5.065 1.00 0.00 C ATOM 0 HA PHE A 95 4.178 -8.442 -8.015 1.00 0.00 H new ATOM 0 HB2 PHE A 95 5.006 -8.925 -5.596 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.058 -7.184 -5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.568 -9.181 -7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.304 -6.778 -3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.167 -9.171 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.902 -6.771 -3.374 1.00 0.00 H new ATOM 0 HZ PHE A 95 -0.671 -7.968 -4.842 1.00 0.00 H new ATOM 1433 N THR A 96 3.625 -6.092 -8.572 1.00 0.00 N ATOM 1434 CA THR A 96 3.362 -4.728 -9.018 1.00 0.00 C ATOM 1435 C THR A 96 1.885 -4.369 -8.899 1.00 0.00 C ATOM 1436 O THR A 96 1.020 -5.051 -9.448 1.00 0.00 O ATOM 1437 CB THR A 96 3.820 -4.533 -10.462 1.00 0.00 C ATOM 1438 OG1 THR A 96 4.872 -5.426 -10.783 1.00 0.00 O ATOM 1439 CG2 THR A 96 4.304 -3.127 -10.750 1.00 0.00 C ATOM 0 H THR A 96 2.924 -6.777 -8.855 1.00 0.00 H new ATOM 0 HA THR A 96 3.929 -4.064 -8.366 1.00 0.00 H new ATOM 0 HB THR A 96 2.939 -4.730 -11.073 1.00 0.00 H new ATOM 0 HG1 THR A 96 5.149 -5.285 -11.712 1.00 0.00 H new ATOM 0 HG21 THR A 96 4.615 -3.056 -11.792 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.497 -2.419 -10.563 1.00 0.00 H new ATOM 0 HG23 THR A 96 5.149 -2.893 -10.103 1.00 0.00 H new ATOM 1447 N VAL A 97 1.615 -3.282 -8.188 1.00 0.00 N ATOM 1448 CA VAL A 97 0.252 -2.802 -7.995 1.00 0.00 C ATOM 1449 C VAL A 97 0.117 -1.376 -8.525 1.00 0.00 C ATOM 1450 O VAL A 97 1.111 -0.670 -8.681 1.00 0.00 O ATOM 1451 CB VAL A 97 -0.169 -2.834 -6.507 1.00 0.00 C ATOM 1452 CG1 VAL A 97 -1.680 -2.930 -6.374 1.00 0.00 C ATOM 1453 CG2 VAL A 97 0.495 -3.992 -5.775 1.00 0.00 C ATOM 0 H VAL A 97 2.328 -2.712 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.407 -3.471 -8.548 1.00 0.00 H new ATOM 0 HB VAL A 97 0.163 -1.902 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.952 -2.951 -5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.143 -2.066 -6.851 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.031 -3.842 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.181 -3.990 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.202 -4.933 -6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.578 -3.883 -5.828 1.00 0.00 H new ATOM 1463 N ASN A 98 -1.112 -0.959 -8.809 1.00 0.00 N ATOM 1464 CA ASN A 98 -1.357 0.381 -9.330 1.00 0.00 C ATOM 1465 C ASN A 98 -2.564 1.018 -8.654 1.00 0.00 C ATOM 1466 O ASN A 98 -3.430 0.321 -8.126 1.00 0.00 O ATOM 1467 CB ASN A 98 -1.567 0.329 -10.843 1.00 0.00 C ATOM 1468 CG ASN A 98 -0.403 -0.328 -11.559 1.00 0.00 C ATOM 1469 OD1 ASN A 98 0.745 0.094 -11.420 1.00 0.00 O ATOM 1470 ND2 ASN A 98 -0.693 -1.368 -12.333 1.00 0.00 N ATOM 0 H ASN A 98 -1.951 -1.527 -8.688 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.483 0.995 -9.113 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.483 -0.219 -11.063 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -1.702 1.341 -11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.050 -1.849 -12.840 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.658 -1.685 -12.420 1.00 0.00 H new