USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 412 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 8 ASN : amide:sc= -0.787 K(o=-0.79,f=-6.9!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot -131:sc= -0.847 USER MOD Set 2.2: A 53 THR OG1 : rot 142:sc= 0.198 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 38:sc= -0.448 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.693 K(o=-0.69,f=-1.5!) USER MOD Single : A 37 ASN : amide:sc= -0.417 K(o=-0.42,f=-5.2!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -53:sc= 0.898 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -160:sc= -4.96! USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 9.001 2.425 2.524 1.00 0.00 N ATOM 32 CA PHE A 3 7.800 2.513 1.636 1.00 0.00 C ATOM 33 C PHE A 3 6.550 2.798 2.473 1.00 0.00 C ATOM 34 O PHE A 3 6.513 2.525 3.657 1.00 0.00 O ATOM 35 CB PHE A 3 7.699 1.143 0.954 1.00 0.00 C ATOM 36 CG PHE A 3 8.951 0.887 0.143 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.375 1.825 -0.807 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.690 -0.288 0.344 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.535 1.591 -1.554 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.850 -0.521 -0.405 1.00 0.00 C ATOM 41 CZ PHE A 3 11.272 0.418 -1.353 1.00 0.00 C ATOM 0 HA PHE A 3 7.884 3.318 0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.572 0.361 1.703 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.822 1.111 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 3 8.806 2.730 -0.963 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.365 -1.013 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 3 10.862 2.315 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.419 -1.426 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.167 0.238 -1.930 1.00 0.00 H new ATOM 51 N LYS A 4 5.529 3.352 1.866 1.00 0.00 N ATOM 52 CA LYS A 4 4.279 3.665 2.624 1.00 0.00 C ATOM 53 C LYS A 4 3.047 3.398 1.759 1.00 0.00 C ATOM 54 O LYS A 4 3.109 3.462 0.551 1.00 0.00 O ATOM 55 CB LYS A 4 4.374 5.157 2.947 1.00 0.00 C ATOM 56 CG LYS A 4 3.322 5.523 3.998 1.00 0.00 C ATOM 57 CD LYS A 4 3.464 7.002 4.377 1.00 0.00 C ATOM 58 CE LYS A 4 2.075 7.629 4.553 1.00 0.00 C ATOM 59 NZ LYS A 4 2.112 8.287 5.890 1.00 0.00 N ATOM 0 H LYS A 4 5.508 3.601 0.877 1.00 0.00 H new ATOM 0 HA LYS A 4 4.183 3.051 3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.371 5.397 3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.220 5.746 2.043 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.322 5.332 3.608 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.444 4.898 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.036 7.097 5.300 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.018 7.534 3.603 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.866 8.351 3.764 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.292 6.872 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.195 8.738 6.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.306 7.574 6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.861 9.008 5.901 1.00 0.00 H new ATOM 73 N LEU A 5 1.929 3.119 2.378 1.00 0.00 N ATOM 74 CA LEU A 5 0.674 2.867 1.608 1.00 0.00 C ATOM 75 C LEU A 5 -0.533 3.262 2.459 1.00 0.00 C ATOM 76 O LEU A 5 -0.629 2.905 3.618 1.00 0.00 O ATOM 77 CB LEU A 5 0.652 1.364 1.310 1.00 0.00 C ATOM 78 CG LEU A 5 -0.125 1.111 0.002 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.685 0.198 -0.926 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.468 0.447 0.322 1.00 0.00 C ATOM 0 H LEU A 5 1.831 3.054 3.391 1.00 0.00 H new ATOM 0 HA LEU A 5 0.636 3.448 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.670 0.985 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.183 0.826 2.134 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.296 2.065 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.126 0.027 -1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.637 0.673 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.868 -0.755 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.016 0.269 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.293 -0.502 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.052 1.101 0.969 1.00 0.00 H new ATOM 92 N ILE A 6 -1.447 4.003 1.894 1.00 0.00 N ATOM 93 CA ILE A 6 -2.650 4.437 2.662 1.00 0.00 C ATOM 94 C ILE A 6 -3.862 3.588 2.265 1.00 0.00 C ATOM 95 O ILE A 6 -4.056 3.271 1.108 1.00 0.00 O ATOM 96 CB ILE A 6 -2.841 5.904 2.269 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.623 6.716 2.743 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.123 6.466 2.901 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.509 6.671 4.272 1.00 0.00 C ATOM 0 H ILE A 6 -1.412 4.328 0.928 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.536 4.319 3.739 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.932 5.976 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.714 6.316 2.293 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.716 7.750 2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.244 7.510 2.612 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.982 5.891 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.054 6.396 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.642 7.251 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.410 7.093 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.394 5.637 4.598 1.00 0.00 H new ATOM 111 N ILE A 7 -4.673 3.220 3.224 1.00 0.00 N ATOM 112 CA ILE A 7 -5.875 2.389 2.920 1.00 0.00 C ATOM 113 C ILE A 7 -7.060 3.289 2.558 1.00 0.00 C ATOM 114 O ILE A 7 -7.486 4.115 3.344 1.00 0.00 O ATOM 115 CB ILE A 7 -6.161 1.610 4.211 1.00 0.00 C ATOM 116 CG1 ILE A 7 -4.939 0.755 4.589 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.381 0.704 4.011 1.00 0.00 C ATOM 118 CD1 ILE A 7 -4.618 -0.245 3.470 1.00 0.00 C ATOM 0 H ILE A 7 -4.553 3.461 4.208 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.713 1.722 2.073 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.365 2.318 5.015 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.078 1.399 4.768 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.135 0.220 5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.580 0.153 4.930 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.249 1.313 3.758 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.183 0.001 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.751 -0.842 3.753 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.474 -0.901 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.401 0.297 2.549 1.00 0.00 H new ATOM 130 N ASN A 8 -7.596 3.129 1.375 1.00 0.00 N ATOM 131 CA ASN A 8 -8.758 3.965 0.953 1.00 0.00 C ATOM 132 C ASN A 8 -9.979 3.073 0.719 1.00 0.00 C ATOM 133 O ASN A 8 -10.599 3.113 -0.328 1.00 0.00 O ATOM 134 CB ASN A 8 -8.317 4.633 -0.351 1.00 0.00 C ATOM 135 CG ASN A 8 -7.355 5.781 -0.040 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.714 5.791 0.992 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.226 6.757 -0.897 1.00 0.00 N ATOM 0 H ASN A 8 -7.277 2.453 0.681 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.038 4.702 1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.831 3.903 -0.999 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.186 5.009 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.587 7.528 -0.700 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.764 6.749 -1.764 1.00 0.00 H new ATOM 144 N GLY A 9 -10.323 2.267 1.690 1.00 0.00 N ATOM 145 CA GLY A 9 -11.499 1.362 1.538 1.00 0.00 C ATOM 146 C GLY A 9 -12.783 2.135 1.840 1.00 0.00 C ATOM 147 O GLY A 9 -12.756 3.181 2.460 1.00 0.00 O ATOM 0 H GLY A 9 -9.838 2.197 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.534 0.961 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.407 0.512 2.214 1.00 0.00 H new ATOM 151 N LYS A 10 -13.908 1.626 1.401 1.00 0.00 N ATOM 152 CA LYS A 10 -15.207 2.322 1.652 1.00 0.00 C ATOM 153 C LYS A 10 -15.405 2.580 3.151 1.00 0.00 C ATOM 154 O LYS A 10 -16.094 3.503 3.544 1.00 0.00 O ATOM 155 CB LYS A 10 -16.283 1.367 1.129 1.00 0.00 C ATOM 156 CG LYS A 10 -16.167 1.250 -0.392 1.00 0.00 C ATOM 157 CD LYS A 10 -17.172 0.216 -0.903 1.00 0.00 C ATOM 158 CE LYS A 10 -18.501 0.907 -1.216 1.00 0.00 C ATOM 159 NZ LYS A 10 -19.548 -0.071 -0.808 1.00 0.00 N ATOM 0 H LYS A 10 -13.982 0.754 0.877 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.246 3.293 1.159 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.168 0.386 1.590 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.273 1.733 1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.356 2.217 -0.857 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.154 0.956 -0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -16.784 -0.272 -1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -17.322 -0.562 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -18.599 1.843 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.580 1.151 -2.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.489 0.331 -0.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.434 -0.949 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.453 -0.279 0.207 1.00 0.00 H new ATOM 173 N THR A 11 -14.805 1.769 3.985 1.00 0.00 N ATOM 174 CA THR A 11 -14.951 1.957 5.460 1.00 0.00 C ATOM 175 C THR A 11 -13.585 1.858 6.146 1.00 0.00 C ATOM 176 O THR A 11 -13.262 2.642 7.019 1.00 0.00 O ATOM 177 CB THR A 11 -15.864 0.818 5.916 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.064 0.842 5.155 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.195 0.989 7.399 1.00 0.00 C ATOM 0 H THR A 11 -14.218 0.982 3.707 1.00 0.00 H new ATOM 0 HA THR A 11 -15.361 2.935 5.712 1.00 0.00 H new ATOM 0 HB THR A 11 -15.358 -0.136 5.767 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.650 0.112 5.445 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.846 0.177 7.723 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.274 0.970 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.701 1.942 7.551 1.00 0.00 H new ATOM 187 N LEU A 12 -12.784 0.898 5.757 1.00 0.00 N ATOM 188 CA LEU A 12 -11.435 0.740 6.383 1.00 0.00 C ATOM 189 C LEU A 12 -10.468 1.792 5.834 1.00 0.00 C ATOM 190 O LEU A 12 -10.577 2.214 4.698 1.00 0.00 O ATOM 191 CB LEU A 12 -10.975 -0.666 5.993 1.00 0.00 C ATOM 192 CG LEU A 12 -11.880 -1.703 6.659 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.814 -3.016 5.877 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.408 -1.942 8.095 1.00 0.00 C ATOM 0 H LEU A 12 -13.006 0.216 5.032 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.467 0.872 7.464 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.006 -0.783 4.910 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.941 -0.820 6.300 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.907 -1.337 6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.459 -3.755 6.352 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.148 -2.847 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.788 -3.383 5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.052 -2.681 8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.381 -2.308 8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.454 -1.007 8.653 1.00 0.00 H new ATOM 206 N LYS A 13 -9.523 2.216 6.635 1.00 0.00 N ATOM 207 CA LYS A 13 -8.540 3.242 6.170 1.00 0.00 C ATOM 208 C LYS A 13 -7.326 3.267 7.105 1.00 0.00 C ATOM 209 O LYS A 13 -7.250 2.513 8.056 1.00 0.00 O ATOM 210 CB LYS A 13 -9.296 4.576 6.230 1.00 0.00 C ATOM 211 CG LYS A 13 -9.604 5.065 4.812 1.00 0.00 C ATOM 212 CD LYS A 13 -10.893 5.891 4.824 1.00 0.00 C ATOM 213 CE LYS A 13 -10.780 7.032 3.811 1.00 0.00 C ATOM 214 NZ LYS A 13 -10.201 8.170 4.578 1.00 0.00 N ATOM 0 H LYS A 13 -9.390 1.895 7.594 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.166 3.034 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.222 4.454 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.699 5.319 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.777 5.668 4.436 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.711 4.215 4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.745 5.257 4.580 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.070 6.293 5.822 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.141 6.754 2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.754 7.290 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.093 8.992 3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.835 8.416 5.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.271 7.897 4.955 1.00 0.00 H new ATOM 228 N GLY A 14 -6.379 4.132 6.839 1.00 0.00 N ATOM 229 CA GLY A 14 -5.168 4.216 7.706 1.00 0.00 C ATOM 230 C GLY A 14 -3.912 4.294 6.834 1.00 0.00 C ATOM 231 O GLY A 14 -3.962 4.723 5.696 1.00 0.00 O ATOM 0 H GLY A 14 -6.394 4.785 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.230 5.093 8.350 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.115 3.345 8.359 1.00 0.00 H new ATOM 235 N GLU A 15 -2.788 3.881 7.362 1.00 0.00 N ATOM 236 CA GLU A 15 -1.519 3.926 6.574 1.00 0.00 C ATOM 237 C GLU A 15 -0.622 2.740 6.946 1.00 0.00 C ATOM 238 O GLU A 15 -0.811 2.108 7.968 1.00 0.00 O ATOM 239 CB GLU A 15 -0.855 5.255 6.958 1.00 0.00 C ATOM 240 CG GLU A 15 -0.581 5.295 8.466 1.00 0.00 C ATOM 241 CD GLU A 15 -0.743 6.727 8.978 1.00 0.00 C ATOM 242 OE1 GLU A 15 -1.701 7.372 8.582 1.00 0.00 O ATOM 243 OE2 GLU A 15 0.092 7.155 9.757 1.00 0.00 O ATOM 0 H GLU A 15 -2.694 3.513 8.309 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.697 3.860 5.501 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.078 5.375 6.408 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.500 6.087 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.269 4.631 8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.427 4.936 8.673 1.00 0.00 H new ATOM 250 N THR A 16 0.352 2.436 6.123 1.00 0.00 N ATOM 251 CA THR A 16 1.262 1.288 6.430 1.00 0.00 C ATOM 252 C THR A 16 2.579 1.417 5.659 1.00 0.00 C ATOM 253 O THR A 16 2.615 1.932 4.559 1.00 0.00 O ATOM 254 CB THR A 16 0.497 0.035 5.985 1.00 0.00 C ATOM 255 OG1 THR A 16 1.302 -1.112 6.216 1.00 0.00 O ATOM 256 CG2 THR A 16 0.155 0.125 4.493 1.00 0.00 C ATOM 0 H THR A 16 0.556 2.931 5.255 1.00 0.00 H new ATOM 0 HA THR A 16 1.523 1.252 7.488 1.00 0.00 H new ATOM 0 HB THR A 16 -0.428 -0.040 6.556 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.816 -1.915 5.934 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.388 -0.770 4.189 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.465 1.003 4.314 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.074 0.206 3.913 1.00 0.00 H new ATOM 264 N THR A 17 3.658 0.943 6.229 1.00 0.00 N ATOM 265 CA THR A 17 4.978 1.022 5.533 1.00 0.00 C ATOM 266 C THR A 17 5.708 -0.315 5.644 1.00 0.00 C ATOM 267 O THR A 17 5.435 -1.106 6.529 1.00 0.00 O ATOM 268 CB THR A 17 5.764 2.107 6.268 1.00 0.00 C ATOM 269 OG1 THR A 17 5.794 1.809 7.657 1.00 0.00 O ATOM 270 CG2 THR A 17 5.102 3.467 6.050 1.00 0.00 C ATOM 0 H THR A 17 3.681 0.503 7.149 1.00 0.00 H new ATOM 0 HA THR A 17 4.865 1.249 4.473 1.00 0.00 H new ATOM 0 HB THR A 17 6.782 2.140 5.879 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.299 2.503 8.130 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.668 4.236 6.577 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.084 3.696 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.082 3.441 6.433 1.00 0.00 H new ATOM 278 N THR A 18 6.634 -0.573 4.757 1.00 0.00 N ATOM 279 CA THR A 18 7.383 -1.852 4.808 1.00 0.00 C ATOM 280 C THR A 18 8.860 -1.594 4.448 1.00 0.00 C ATOM 281 O THR A 18 9.189 -0.627 3.787 1.00 0.00 O ATOM 282 CB THR A 18 6.643 -2.761 3.787 1.00 0.00 C ATOM 283 OG1 THR A 18 5.903 -3.741 4.500 1.00 0.00 O ATOM 284 CG2 THR A 18 7.615 -3.470 2.841 1.00 0.00 C ATOM 0 H THR A 18 6.901 0.054 3.998 1.00 0.00 H new ATOM 0 HA THR A 18 7.408 -2.325 5.790 1.00 0.00 H new ATOM 0 HB THR A 18 5.988 -2.130 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.523 -3.339 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.055 -4.094 2.145 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.187 -2.728 2.284 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.297 -4.093 3.420 1.00 0.00 H new ATOM 292 N GLU A 19 9.738 -2.469 4.866 1.00 0.00 N ATOM 293 CA GLU A 19 11.185 -2.305 4.543 1.00 0.00 C ATOM 294 C GLU A 19 11.620 -3.419 3.589 1.00 0.00 C ATOM 295 O GLU A 19 11.576 -4.586 3.930 1.00 0.00 O ATOM 296 CB GLU A 19 11.913 -2.427 5.882 1.00 0.00 C ATOM 297 CG GLU A 19 13.402 -2.140 5.679 1.00 0.00 C ATOM 298 CD GLU A 19 14.224 -2.997 6.644 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.896 -3.011 7.819 1.00 0.00 O ATOM 300 OE2 GLU A 19 15.168 -3.623 6.191 1.00 0.00 O ATOM 0 H GLU A 19 9.512 -3.295 5.421 1.00 0.00 H new ATOM 0 HA GLU A 19 11.402 -1.354 4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.491 -1.726 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.777 -3.427 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.688 -2.357 4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.606 -1.083 5.851 1.00 0.00 H new ATOM 307 N ALA A 20 12.022 -3.069 2.393 1.00 0.00 N ATOM 308 CA ALA A 20 12.442 -4.113 1.411 1.00 0.00 C ATOM 309 C ALA A 20 13.454 -3.545 0.413 1.00 0.00 C ATOM 310 O ALA A 20 13.770 -2.370 0.433 1.00 0.00 O ATOM 311 CB ALA A 20 11.152 -4.505 0.692 1.00 0.00 C ATOM 0 H ALA A 20 12.077 -2.108 2.055 1.00 0.00 H new ATOM 0 HA ALA A 20 12.926 -4.961 1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.369 -5.272 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.436 -4.893 1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.730 -3.630 0.198 1.00 0.00 H new ATOM 317 N VAL A 21 13.961 -4.379 -0.460 1.00 0.00 N ATOM 318 CA VAL A 21 14.957 -3.905 -1.473 1.00 0.00 C ATOM 319 C VAL A 21 14.351 -2.795 -2.340 1.00 0.00 C ATOM 320 O VAL A 21 15.006 -1.823 -2.666 1.00 0.00 O ATOM 321 CB VAL A 21 15.293 -5.139 -2.325 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.890 -6.228 -1.432 1.00 0.00 C ATOM 323 CG2 VAL A 21 14.026 -5.679 -3.004 1.00 0.00 C ATOM 0 H VAL A 21 13.728 -5.371 -0.516 1.00 0.00 H new ATOM 0 HA VAL A 21 15.847 -3.486 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 21 16.013 -4.852 -3.092 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.128 -7.104 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.799 -5.854 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.169 -6.503 -0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.279 -6.553 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.297 -5.960 -2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.601 -4.908 -3.647 1.00 0.00 H new ATOM 333 N ASP A 22 13.105 -2.937 -2.711 1.00 0.00 N ATOM 334 CA ASP A 22 12.438 -1.901 -3.555 1.00 0.00 C ATOM 335 C ASP A 22 10.939 -1.878 -3.251 1.00 0.00 C ATOM 336 O ASP A 22 10.413 -2.783 -2.630 1.00 0.00 O ATOM 337 CB ASP A 22 12.680 -2.337 -5.003 1.00 0.00 C ATOM 338 CG ASP A 22 14.183 -2.386 -5.288 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.805 -1.337 -5.268 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.687 -3.473 -5.521 1.00 0.00 O ATOM 0 H ASP A 22 12.516 -3.732 -2.463 1.00 0.00 H new ATOM 0 HA ASP A 22 12.828 -0.901 -3.366 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.236 -3.317 -5.176 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.194 -1.642 -5.687 1.00 0.00 H new ATOM 345 N ALA A 23 10.250 -0.855 -3.685 1.00 0.00 N ATOM 346 CA ALA A 23 8.781 -0.777 -3.421 1.00 0.00 C ATOM 347 C ALA A 23 8.054 -1.886 -4.184 1.00 0.00 C ATOM 348 O ALA A 23 7.006 -2.347 -3.771 1.00 0.00 O ATOM 349 CB ALA A 23 8.349 0.603 -3.923 1.00 0.00 C ATOM 0 H ALA A 23 10.639 -0.072 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 23 8.544 -0.908 -2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.279 0.731 -3.761 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.893 1.375 -3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.567 0.688 -4.988 1.00 0.00 H new ATOM 355 N ALA A 24 8.608 -2.326 -5.288 1.00 0.00 N ATOM 356 CA ALA A 24 7.954 -3.418 -6.073 1.00 0.00 C ATOM 357 C ALA A 24 7.835 -4.673 -5.205 1.00 0.00 C ATOM 358 O ALA A 24 6.792 -5.294 -5.135 1.00 0.00 O ATOM 359 CB ALA A 24 8.881 -3.674 -7.264 1.00 0.00 C ATOM 0 H ALA A 24 9.483 -1.976 -5.678 1.00 0.00 H new ATOM 0 HA ALA A 24 6.949 -3.150 -6.400 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.464 -4.466 -7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.977 -2.762 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.863 -3.977 -6.902 1.00 0.00 H new ATOM 365 N THR A 25 8.898 -5.035 -4.532 1.00 0.00 N ATOM 366 CA THR A 25 8.859 -6.239 -3.649 1.00 0.00 C ATOM 367 C THR A 25 7.927 -5.975 -2.460 1.00 0.00 C ATOM 368 O THR A 25 7.066 -6.781 -2.141 1.00 0.00 O ATOM 369 CB THR A 25 10.314 -6.446 -3.184 1.00 0.00 C ATOM 370 OG1 THR A 25 11.095 -6.894 -4.283 1.00 0.00 O ATOM 371 CG2 THR A 25 10.377 -7.490 -2.059 1.00 0.00 C ATOM 0 H THR A 25 9.793 -4.547 -4.557 1.00 0.00 H new ATOM 0 HA THR A 25 8.479 -7.124 -4.159 1.00 0.00 H new ATOM 0 HB THR A 25 10.702 -5.500 -2.807 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.977 -7.177 -3.964 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.412 -7.623 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.781 -7.149 -1.213 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.983 -8.440 -2.421 1.00 0.00 H new ATOM 379 N ALA A 26 8.096 -4.856 -1.797 1.00 0.00 N ATOM 380 CA ALA A 26 7.226 -4.549 -0.624 1.00 0.00 C ATOM 381 C ALA A 26 5.761 -4.511 -1.052 1.00 0.00 C ATOM 382 O ALA A 26 4.943 -5.244 -0.541 1.00 0.00 O ATOM 383 CB ALA A 26 7.664 -3.168 -0.126 1.00 0.00 C ATOM 0 H ALA A 26 8.795 -4.147 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 26 7.321 -5.306 0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.061 -2.884 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.715 -3.201 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.528 -2.435 -0.921 1.00 0.00 H new ATOM 389 N GLU A 27 5.434 -3.651 -1.987 1.00 0.00 N ATOM 390 CA GLU A 27 4.017 -3.518 -2.471 1.00 0.00 C ATOM 391 C GLU A 27 3.324 -4.881 -2.633 1.00 0.00 C ATOM 392 O GLU A 27 2.143 -5.011 -2.371 1.00 0.00 O ATOM 393 CB GLU A 27 4.128 -2.807 -3.822 1.00 0.00 C ATOM 394 CG GLU A 27 2.729 -2.510 -4.366 1.00 0.00 C ATOM 395 CD GLU A 27 2.809 -2.258 -5.872 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.511 -3.000 -6.540 1.00 0.00 O ATOM 397 OE2 GLU A 27 2.168 -1.328 -6.332 1.00 0.00 O ATOM 0 H GLU A 27 6.097 -3.025 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 27 3.409 -2.968 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.690 -1.879 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.678 -3.430 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.063 -3.348 -4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.309 -1.639 -3.863 1.00 0.00 H new ATOM 404 N LYS A 28 4.051 -5.899 -3.030 1.00 0.00 N ATOM 405 CA LYS A 28 3.422 -7.251 -3.165 1.00 0.00 C ATOM 406 C LYS A 28 2.965 -7.707 -1.780 1.00 0.00 C ATOM 407 O LYS A 28 1.853 -8.166 -1.598 1.00 0.00 O ATOM 408 CB LYS A 28 4.522 -8.172 -3.698 1.00 0.00 C ATOM 409 CG LYS A 28 5.004 -7.668 -5.060 1.00 0.00 C ATOM 410 CD LYS A 28 6.442 -8.137 -5.292 1.00 0.00 C ATOM 411 CE LYS A 28 6.431 -9.466 -6.051 1.00 0.00 C ATOM 412 NZ LYS A 28 7.801 -9.596 -6.619 1.00 0.00 N ATOM 0 H LYS A 28 5.043 -5.853 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 28 2.559 -7.254 -3.831 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.355 -8.203 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.144 -9.190 -3.790 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.355 -8.044 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.954 -6.580 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.993 -7.387 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.955 -8.256 -4.338 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.199 -10.298 -5.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.676 -9.465 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.872 -10.485 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.992 -8.794 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.498 -9.601 -5.847 1.00 0.00 H new ATOM 426 N VAL A 29 3.815 -7.544 -0.799 1.00 0.00 N ATOM 427 CA VAL A 29 3.437 -7.921 0.596 1.00 0.00 C ATOM 428 C VAL A 29 2.327 -6.979 1.071 1.00 0.00 C ATOM 429 O VAL A 29 1.432 -7.375 1.791 1.00 0.00 O ATOM 430 CB VAL A 29 4.730 -7.739 1.421 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.420 -7.653 2.925 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.657 -8.930 1.168 1.00 0.00 C ATOM 0 H VAL A 29 4.756 -7.165 -0.904 1.00 0.00 H new ATOM 0 HA VAL A 29 3.059 -8.939 0.689 1.00 0.00 H new ATOM 0 HB VAL A 29 5.209 -6.810 1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.349 -7.525 3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.764 -6.803 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.927 -8.570 3.248 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.572 -8.808 1.747 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.157 -9.851 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.903 -8.981 0.107 1.00 0.00 H new ATOM 442 N LEU A 30 2.387 -5.731 0.679 1.00 0.00 N ATOM 443 CA LEU A 30 1.337 -4.770 1.116 1.00 0.00 C ATOM 444 C LEU A 30 0.008 -5.191 0.497 1.00 0.00 C ATOM 445 O LEU A 30 -1.039 -5.042 1.092 1.00 0.00 O ATOM 446 CB LEU A 30 1.800 -3.396 0.601 1.00 0.00 C ATOM 447 CG LEU A 30 2.928 -2.778 1.478 1.00 0.00 C ATOM 448 CD1 LEU A 30 2.333 -2.003 2.649 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.889 -3.831 2.044 1.00 0.00 C ATOM 0 H LEU A 30 3.114 -5.341 0.079 1.00 0.00 H new ATOM 0 HA LEU A 30 1.196 -4.740 2.196 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.156 -3.497 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.949 -2.715 0.577 1.00 0.00 H new ATOM 0 HG LEU A 30 3.489 -2.116 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.137 -1.579 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.700 -1.200 2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.736 -2.676 3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.653 -3.340 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.334 -4.534 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.364 -4.369 1.223 1.00 0.00 H new ATOM 461 N LYS A 31 0.054 -5.768 -0.680 1.00 0.00 N ATOM 462 CA LYS A 31 -1.199 -6.259 -1.328 1.00 0.00 C ATOM 463 C LYS A 31 -1.779 -7.361 -0.453 1.00 0.00 C ATOM 464 O LYS A 31 -2.962 -7.406 -0.176 1.00 0.00 O ATOM 465 CB LYS A 31 -0.758 -6.853 -2.666 1.00 0.00 C ATOM 466 CG LYS A 31 -1.920 -6.802 -3.665 1.00 0.00 C ATOM 467 CD LYS A 31 -2.941 -7.903 -3.341 1.00 0.00 C ATOM 468 CE LYS A 31 -2.258 -9.278 -3.379 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.082 -10.102 -4.308 1.00 0.00 N ATOM 0 H LYS A 31 0.907 -5.919 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.945 -5.475 -1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.095 -6.298 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.431 -7.883 -2.527 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.402 -5.825 -3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.544 -6.931 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.375 -7.730 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.760 -7.874 -4.060 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.230 -9.197 -3.732 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.219 -9.725 -2.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.673 -11.055 -4.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.054 -10.169 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.095 -9.657 -5.248 1.00 0.00 H new ATOM 483 N GLN A 32 -0.926 -8.244 0.003 1.00 0.00 N ATOM 484 CA GLN A 32 -1.383 -9.354 0.891 1.00 0.00 C ATOM 485 C GLN A 32 -2.110 -8.766 2.105 1.00 0.00 C ATOM 486 O GLN A 32 -3.131 -9.268 2.536 1.00 0.00 O ATOM 487 CB GLN A 32 -0.111 -10.075 1.321 1.00 0.00 C ATOM 488 CG GLN A 32 0.160 -11.245 0.372 1.00 0.00 C ATOM 489 CD GLN A 32 1.561 -11.800 0.634 1.00 0.00 C ATOM 490 OE1 GLN A 32 1.817 -12.367 1.678 1.00 0.00 O ATOM 491 NE2 GLN A 32 2.486 -11.661 -0.276 1.00 0.00 N ATOM 0 H GLN A 32 0.073 -8.243 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.075 -10.033 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.732 -9.384 1.313 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.215 -10.439 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.586 -12.026 0.519 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.076 -10.914 -0.663 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.272 -11.185 -1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.423 -12.028 -0.111 1.00 0.00 H new ATOM 500 N TYR A 33 -1.603 -7.676 2.630 1.00 0.00 N ATOM 501 CA TYR A 33 -2.276 -7.013 3.787 1.00 0.00 C ATOM 502 C TYR A 33 -3.649 -6.510 3.324 1.00 0.00 C ATOM 503 O TYR A 33 -4.640 -6.640 4.016 1.00 0.00 O ATOM 504 CB TYR A 33 -1.358 -5.844 4.168 1.00 0.00 C ATOM 505 CG TYR A 33 -2.003 -5.030 5.256 1.00 0.00 C ATOM 506 CD1 TYR A 33 -1.947 -5.478 6.574 1.00 0.00 C ATOM 507 CD2 TYR A 33 -2.665 -3.840 4.942 1.00 0.00 C ATOM 508 CE1 TYR A 33 -2.553 -4.739 7.588 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.272 -3.094 5.956 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.217 -3.543 7.282 1.00 0.00 C ATOM 511 OH TYR A 33 -3.818 -2.811 8.286 1.00 0.00 O ATOM 0 H TYR A 33 -0.751 -7.218 2.305 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.434 -7.676 4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.393 -6.221 4.506 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.168 -5.218 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.434 -6.398 6.810 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.707 -3.498 3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.511 -5.088 8.609 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.783 -2.173 5.718 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.233 -2.010 7.903 1.00 0.00 H new ATOM 521 N ILE A 34 -3.701 -5.956 2.141 1.00 0.00 N ATOM 522 CA ILE A 34 -4.997 -5.456 1.591 1.00 0.00 C ATOM 523 C ILE A 34 -5.942 -6.643 1.369 1.00 0.00 C ATOM 524 O ILE A 34 -7.149 -6.514 1.450 1.00 0.00 O ATOM 525 CB ILE A 34 -4.629 -4.794 0.255 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.650 -3.623 0.516 1.00 0.00 C ATOM 527 CG2 ILE A 34 -5.899 -4.309 -0.468 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.389 -2.373 1.010 1.00 0.00 C ATOM 0 H ILE A 34 -2.896 -5.827 1.528 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.503 -4.757 2.257 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.138 -5.521 -0.391 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.909 -3.925 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.109 -3.389 -0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.623 -3.842 -1.413 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.555 -5.158 -0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.419 -3.583 0.157 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.672 -1.571 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.112 -2.057 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.909 -2.602 1.940 1.00 0.00 H new ATOM 540 N ASN A 35 -5.391 -7.800 1.089 1.00 0.00 N ATOM 541 CA ASN A 35 -6.240 -9.010 0.859 1.00 0.00 C ATOM 542 C ASN A 35 -7.082 -9.313 2.101 1.00 0.00 C ATOM 543 O ASN A 35 -8.160 -9.870 2.008 1.00 0.00 O ATOM 544 CB ASN A 35 -5.251 -10.148 0.593 1.00 0.00 C ATOM 545 CG ASN A 35 -6.002 -11.359 0.039 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.053 -11.716 0.534 1.00 0.00 O ATOM 547 ND2 ASN A 35 -5.505 -12.012 -0.976 1.00 0.00 N ATOM 0 H ASN A 35 -4.386 -7.958 1.010 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.935 -8.871 0.031 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.490 -9.824 -0.116 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.734 -10.418 1.514 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.999 -12.821 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.623 -11.713 -1.392 1.00 0.00 H new ATOM 554 N ASP A 36 -6.596 -8.951 3.262 1.00 0.00 N ATOM 555 CA ASP A 36 -7.363 -9.215 4.517 1.00 0.00 C ATOM 556 C ASP A 36 -8.464 -8.167 4.696 1.00 0.00 C ATOM 557 O ASP A 36 -9.617 -8.497 4.900 1.00 0.00 O ATOM 558 CB ASP A 36 -6.333 -9.109 5.644 1.00 0.00 C ATOM 559 CG ASP A 36 -6.950 -9.615 6.949 1.00 0.00 C ATOM 560 OD1 ASP A 36 -7.605 -10.643 6.912 1.00 0.00 O ATOM 561 OD2 ASP A 36 -6.758 -8.964 7.963 1.00 0.00 O ATOM 0 H ASP A 36 -5.699 -8.483 3.395 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.852 -10.189 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.447 -9.694 5.397 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.010 -8.074 5.759 1.00 0.00 H new ATOM 566 N ASN A 37 -8.114 -6.908 4.618 1.00 0.00 N ATOM 567 CA ASN A 37 -9.139 -5.829 4.782 1.00 0.00 C ATOM 568 C ASN A 37 -10.207 -5.945 3.692 1.00 0.00 C ATOM 569 O ASN A 37 -11.346 -5.563 3.885 1.00 0.00 O ATOM 570 CB ASN A 37 -8.369 -4.514 4.638 1.00 0.00 C ATOM 571 CG ASN A 37 -7.314 -4.416 5.741 1.00 0.00 C ATOM 572 OD1 ASN A 37 -6.481 -5.290 5.881 1.00 0.00 O ATOM 573 ND2 ASN A 37 -7.313 -3.381 6.536 1.00 0.00 N ATOM 0 H ASN A 37 -7.164 -6.579 4.448 1.00 0.00 H new ATOM 0 HA ASN A 37 -9.652 -5.895 5.741 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.892 -4.465 3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.056 -3.670 4.701 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.613 -3.306 7.274 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.012 -2.647 6.419 1.00 0.00 H new ATOM 580 N GLY A 38 -9.845 -6.470 2.548 1.00 0.00 N ATOM 581 CA GLY A 38 -10.832 -6.615 1.438 1.00 0.00 C ATOM 582 C GLY A 38 -10.960 -5.286 0.691 1.00 0.00 C ATOM 583 O GLY A 38 -12.005 -4.964 0.157 1.00 0.00 O ATOM 0 H GLY A 38 -8.905 -6.805 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.512 -7.400 0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.801 -6.915 1.836 1.00 0.00 H new ATOM 587 N ILE A 39 -9.903 -4.515 0.651 1.00 0.00 N ATOM 588 CA ILE A 39 -9.954 -3.202 -0.062 1.00 0.00 C ATOM 589 C ILE A 39 -8.981 -3.209 -1.245 1.00 0.00 C ATOM 590 O ILE A 39 -7.926 -2.605 -1.196 1.00 0.00 O ATOM 591 CB ILE A 39 -9.531 -2.161 0.984 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.489 -2.204 2.188 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.557 -0.761 0.360 1.00 0.00 C ATOM 594 CD1 ILE A 39 -11.928 -1.914 1.740 1.00 0.00 C ATOM 0 H ILE A 39 -9.006 -4.738 1.082 1.00 0.00 H new ATOM 0 HA ILE A 39 -10.943 -2.988 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.520 -2.390 1.322 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.440 -3.183 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.179 -1.471 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.256 -0.025 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.868 -0.726 -0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.566 -0.536 0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.592 -1.948 2.604 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.975 -0.924 1.285 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.240 -2.663 1.012 1.00 0.00 H new ATOM 606 N ASP A 40 -9.332 -3.887 -2.308 1.00 0.00 N ATOM 607 CA ASP A 40 -8.437 -3.938 -3.502 1.00 0.00 C ATOM 608 C ASP A 40 -9.143 -3.320 -4.712 1.00 0.00 C ATOM 609 O ASP A 40 -9.961 -3.954 -5.352 1.00 0.00 O ATOM 610 CB ASP A 40 -8.172 -5.426 -3.737 1.00 0.00 C ATOM 611 CG ASP A 40 -6.896 -5.593 -4.565 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.862 -5.117 -4.127 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.976 -6.194 -5.624 1.00 0.00 O ATOM 0 H ASP A 40 -10.203 -4.409 -2.400 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.512 -3.380 -3.352 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.069 -5.943 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.017 -5.879 -4.256 1.00 0.00 H new ATOM 618 N GLY A 41 -8.835 -2.086 -5.024 1.00 0.00 N ATOM 619 CA GLY A 41 -9.489 -1.419 -6.188 1.00 0.00 C ATOM 620 C GLY A 41 -8.428 -0.766 -7.076 1.00 0.00 C ATOM 621 O GLY A 41 -7.936 -1.369 -8.011 1.00 0.00 O ATOM 0 H GLY A 41 -8.158 -1.512 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.059 -2.148 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.196 -0.667 -5.838 1.00 0.00 H new ATOM 625 N GLU A 42 -8.079 0.465 -6.795 1.00 0.00 N ATOM 626 CA GLU A 42 -7.055 1.166 -7.628 1.00 0.00 C ATOM 627 C GLU A 42 -5.978 1.794 -6.739 1.00 0.00 C ATOM 628 O GLU A 42 -6.268 2.596 -5.871 1.00 0.00 O ATOM 629 CB GLU A 42 -7.831 2.255 -8.380 1.00 0.00 C ATOM 630 CG GLU A 42 -7.928 1.892 -9.864 1.00 0.00 C ATOM 631 CD GLU A 42 -9.270 2.371 -10.422 1.00 0.00 C ATOM 632 OE1 GLU A 42 -10.250 1.669 -10.239 1.00 0.00 O ATOM 633 OE2 GLU A 42 -9.294 3.433 -11.023 1.00 0.00 O ATOM 0 H GLU A 42 -8.459 1.014 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.544 0.484 -8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.830 2.361 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.331 3.217 -8.263 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.108 2.352 -10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.833 0.814 -9.992 1.00 0.00 H new ATOM 640 N TRP A 43 -4.737 1.437 -6.958 1.00 0.00 N ATOM 641 CA TRP A 43 -3.632 2.014 -6.138 1.00 0.00 C ATOM 642 C TRP A 43 -2.980 3.173 -6.893 1.00 0.00 C ATOM 643 O TRP A 43 -3.184 3.343 -8.081 1.00 0.00 O ATOM 644 CB TRP A 43 -2.599 0.894 -5.976 1.00 0.00 C ATOM 645 CG TRP A 43 -3.094 -0.215 -5.096 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.385 -0.589 -4.905 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.292 -1.113 -4.283 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.411 -1.675 -4.053 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.149 -2.026 -3.633 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.912 -1.220 -4.055 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.655 -3.013 -2.786 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.411 -2.211 -3.197 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.279 -3.104 -2.564 1.00 0.00 C ATOM 0 H TRP A 43 -4.443 0.770 -7.671 1.00 0.00 H new ATOM 0 HA TRP A 43 -4.000 2.382 -5.180 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.347 0.491 -6.957 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.682 1.307 -5.555 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.249 -0.115 -5.347 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.263 -2.159 -3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.232 -0.537 -4.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.331 -3.704 -2.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.653 -2.284 -3.025 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.887 -3.864 -1.904 1.00 0.00 H new ATOM 664 N THR A 44 -2.172 3.946 -6.220 1.00 0.00 N ATOM 665 CA THR A 44 -1.465 5.075 -6.894 1.00 0.00 C ATOM 666 C THR A 44 -0.123 5.309 -6.203 1.00 0.00 C ATOM 667 O THR A 44 -0.049 5.412 -4.993 1.00 0.00 O ATOM 668 CB THR A 44 -2.366 6.303 -6.752 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.525 6.622 -5.379 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.733 6.022 -7.379 1.00 0.00 C ATOM 0 H THR A 44 -1.969 3.844 -5.226 1.00 0.00 H new ATOM 0 HA THR A 44 -1.271 4.864 -7.946 1.00 0.00 H new ATOM 0 HB THR A 44 -1.905 7.146 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.476 6.750 -5.181 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.369 6.901 -7.274 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.607 5.789 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.198 5.175 -6.874 1.00 0.00 H new ATOM 678 N TYR A 45 0.934 5.382 -6.964 1.00 0.00 N ATOM 679 CA TYR A 45 2.281 5.597 -6.360 1.00 0.00 C ATOM 680 C TYR A 45 2.653 7.083 -6.421 1.00 0.00 C ATOM 681 O TYR A 45 2.082 7.837 -7.188 1.00 0.00 O ATOM 682 CB TYR A 45 3.236 4.773 -7.225 1.00 0.00 C ATOM 683 CG TYR A 45 4.632 4.847 -6.654 1.00 0.00 C ATOM 684 CD1 TYR A 45 4.863 4.499 -5.317 1.00 0.00 C ATOM 685 CD2 TYR A 45 5.696 5.262 -7.462 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.157 4.567 -4.790 1.00 0.00 C ATOM 687 CE2 TYR A 45 6.991 5.331 -6.935 1.00 0.00 C ATOM 688 CZ TYR A 45 7.221 4.983 -5.599 1.00 0.00 C ATOM 689 OH TYR A 45 8.498 5.050 -5.079 1.00 0.00 O ATOM 0 H TYR A 45 0.924 5.302 -7.981 1.00 0.00 H new ATOM 0 HA TYR A 45 2.318 5.300 -5.312 1.00 0.00 H new ATOM 0 HB2 TYR A 45 2.903 3.736 -7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.231 5.148 -8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.042 4.178 -4.693 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.518 5.529 -8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.335 4.299 -3.759 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.812 5.652 -7.559 1.00 0.00 H new ATOM 0 HH TYR A 45 9.118 5.356 -5.773 1.00 0.00 H new ATOM 699 N ASP A 46 3.608 7.507 -5.630 1.00 0.00 N ATOM 700 CA ASP A 46 4.019 8.947 -5.657 1.00 0.00 C ATOM 701 C ASP A 46 5.518 9.076 -5.381 1.00 0.00 C ATOM 702 O ASP A 46 5.993 8.736 -4.311 1.00 0.00 O ATOM 703 CB ASP A 46 3.219 9.646 -4.547 1.00 0.00 C ATOM 704 CG ASP A 46 1.721 9.363 -4.712 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.160 9.808 -5.700 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.164 8.707 -3.848 1.00 0.00 O ATOM 0 H ASP A 46 4.119 6.922 -4.969 1.00 0.00 H new ATOM 0 HA ASP A 46 3.823 9.394 -6.632 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.557 9.297 -3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.399 10.720 -4.581 1.00 0.00 H new ATOM 711 N ASP A 47 6.261 9.579 -6.334 1.00 0.00 N ATOM 712 CA ASP A 47 7.732 9.752 -6.132 1.00 0.00 C ATOM 713 C ASP A 47 8.001 10.790 -5.031 1.00 0.00 C ATOM 714 O ASP A 47 9.100 10.890 -4.522 1.00 0.00 O ATOM 715 CB ASP A 47 8.269 10.248 -7.477 1.00 0.00 C ATOM 716 CG ASP A 47 9.797 10.311 -7.425 1.00 0.00 C ATOM 717 OD1 ASP A 47 10.312 11.254 -6.848 1.00 0.00 O ATOM 718 OD2 ASP A 47 10.425 9.415 -7.965 1.00 0.00 O ATOM 0 H ASP A 47 5.912 9.878 -7.245 1.00 0.00 H new ATOM 0 HA ASP A 47 8.213 8.825 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.949 9.580 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.861 11.233 -7.702 1.00 0.00 H new ATOM 723 N ALA A 48 7.003 11.564 -4.662 1.00 0.00 N ATOM 724 CA ALA A 48 7.186 12.603 -3.593 1.00 0.00 C ATOM 725 C ALA A 48 7.859 12.004 -2.350 1.00 0.00 C ATOM 726 O ALA A 48 8.872 12.490 -1.886 1.00 0.00 O ATOM 727 CB ALA A 48 5.766 13.062 -3.249 1.00 0.00 C ATOM 0 H ALA A 48 6.064 11.520 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 48 7.824 13.420 -3.930 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.809 13.825 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.292 13.476 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.185 12.212 -2.891 1.00 0.00 H new ATOM 733 N THR A 49 7.295 10.953 -1.816 1.00 0.00 N ATOM 734 CA THR A 49 7.885 10.310 -0.604 1.00 0.00 C ATOM 735 C THR A 49 7.653 8.797 -0.653 1.00 0.00 C ATOM 736 O THR A 49 7.261 8.195 0.326 1.00 0.00 O ATOM 737 CB THR A 49 7.142 10.933 0.584 1.00 0.00 C ATOM 738 OG1 THR A 49 7.609 10.346 1.790 1.00 0.00 O ATOM 739 CG2 THR A 49 5.634 10.690 0.449 1.00 0.00 C ATOM 0 H THR A 49 6.447 10.510 -2.169 1.00 0.00 H new ATOM 0 HA THR A 49 8.961 10.468 -0.532 1.00 0.00 H new ATOM 0 HB THR A 49 7.329 12.007 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 49 7.541 9.370 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.116 11.137 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.274 11.143 -0.475 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.439 9.618 0.428 1.00 0.00 H new ATOM 747 N LYS A 50 7.889 8.198 -1.802 1.00 0.00 N ATOM 748 CA LYS A 50 7.697 6.716 -1.994 1.00 0.00 C ATOM 749 C LYS A 50 6.455 6.183 -1.260 1.00 0.00 C ATOM 750 O LYS A 50 6.505 5.163 -0.600 1.00 0.00 O ATOM 751 CB LYS A 50 8.984 6.055 -1.472 1.00 0.00 C ATOM 752 CG LYS A 50 9.140 6.286 0.034 1.00 0.00 C ATOM 753 CD LYS A 50 10.183 5.317 0.593 1.00 0.00 C ATOM 754 CE LYS A 50 11.564 5.674 0.037 1.00 0.00 C ATOM 755 NZ LYS A 50 12.450 4.555 0.462 1.00 0.00 N ATOM 0 H LYS A 50 8.215 8.686 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 50 7.523 6.485 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.959 4.985 -1.680 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.847 6.462 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.445 7.315 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.184 6.138 0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.194 5.367 1.682 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.925 4.293 0.323 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.540 5.768 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.915 6.627 0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.416 4.727 0.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.458 4.494 1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.095 3.661 0.065 1.00 0.00 H new ATOM 769 N THR A 51 5.345 6.867 -1.384 1.00 0.00 N ATOM 770 CA THR A 51 4.096 6.405 -0.707 1.00 0.00 C ATOM 771 C THR A 51 3.191 5.698 -1.722 1.00 0.00 C ATOM 772 O THR A 51 3.426 5.752 -2.915 1.00 0.00 O ATOM 773 CB THR A 51 3.435 7.682 -0.177 1.00 0.00 C ATOM 774 OG1 THR A 51 4.312 8.313 0.744 1.00 0.00 O ATOM 775 CG2 THR A 51 2.122 7.336 0.530 1.00 0.00 C ATOM 0 H THR A 51 5.251 7.726 -1.926 1.00 0.00 H new ATOM 0 HA THR A 51 4.290 5.694 0.096 1.00 0.00 H new ATOM 0 HB THR A 51 3.226 8.352 -1.011 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.802 8.926 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.658 8.249 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.447 6.848 -0.174 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.324 6.664 1.364 1.00 0.00 H new ATOM 783 N TRP A 52 2.167 5.029 -1.256 1.00 0.00 N ATOM 784 CA TRP A 52 1.251 4.308 -2.189 1.00 0.00 C ATOM 785 C TRP A 52 -0.212 4.592 -1.841 1.00 0.00 C ATOM 786 O TRP A 52 -0.514 5.434 -1.016 1.00 0.00 O ATOM 787 CB TRP A 52 1.545 2.830 -1.962 1.00 0.00 C ATOM 788 CG TRP A 52 2.780 2.425 -2.692 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.019 2.352 -2.159 1.00 0.00 C ATOM 790 CD2 TRP A 52 2.903 2.016 -4.075 1.00 0.00 C ATOM 791 NE1 TRP A 52 4.902 1.937 -3.142 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.257 1.715 -4.344 1.00 0.00 C ATOM 793 CE3 TRP A 52 1.972 1.887 -5.109 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.672 1.297 -5.609 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.380 1.465 -6.385 1.00 0.00 C ATOM 796 CH2 TRP A 52 3.730 1.171 -6.635 1.00 0.00 C ATOM 0 H TRP A 52 1.926 4.951 -0.268 1.00 0.00 H new ATOM 0 HA TRP A 52 1.405 4.619 -3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.666 2.637 -0.896 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.701 2.229 -2.301 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.278 2.580 -1.136 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.904 1.811 -2.997 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.932 2.113 -4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.712 1.073 -5.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.652 1.366 -7.177 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.040 0.848 -7.618 1.00 0.00 H new ATOM 807 N THR A 53 -1.121 3.879 -2.461 1.00 0.00 N ATOM 808 CA THR A 53 -2.572 4.079 -2.173 1.00 0.00 C ATOM 809 C THR A 53 -3.364 2.824 -2.562 1.00 0.00 C ATOM 810 O THR A 53 -2.828 1.894 -3.132 1.00 0.00 O ATOM 811 CB THR A 53 -3.001 5.268 -3.037 1.00 0.00 C ATOM 812 OG1 THR A 53 -2.010 6.285 -2.976 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.331 5.823 -2.525 1.00 0.00 C ATOM 0 H THR A 53 -0.916 3.163 -3.158 1.00 0.00 H new ATOM 0 HA THR A 53 -2.756 4.263 -1.114 1.00 0.00 H new ATOM 0 HB THR A 53 -3.119 4.937 -4.069 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.916 6.703 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.634 6.669 -3.142 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.093 5.046 -2.576 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.215 6.150 -1.492 1.00 0.00 H new ATOM 821 N VAL A 54 -4.635 2.795 -2.250 1.00 0.00 N ATOM 822 CA VAL A 54 -5.478 1.603 -2.589 1.00 0.00 C ATOM 823 C VAL A 54 -6.956 1.932 -2.349 1.00 0.00 C ATOM 824 O VAL A 54 -7.505 1.635 -1.304 1.00 0.00 O ATOM 825 CB VAL A 54 -4.996 0.487 -1.642 1.00 0.00 C ATOM 826 CG1 VAL A 54 -5.084 0.959 -0.189 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.860 -0.770 -1.816 1.00 0.00 C ATOM 0 H VAL A 54 -5.129 3.549 -1.773 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.385 1.304 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.961 0.250 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.741 0.164 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.456 1.840 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.117 1.210 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.508 -1.550 -1.141 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.899 -0.532 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.788 -1.121 -2.845 1.00 0.00 H new ATOM 837 N THR A 55 -7.597 2.545 -3.311 1.00 0.00 N ATOM 838 CA THR A 55 -9.039 2.902 -3.152 1.00 0.00 C ATOM 839 C THR A 55 -9.927 1.759 -3.648 1.00 0.00 C ATOM 840 O THR A 55 -9.725 1.231 -4.725 1.00 0.00 O ATOM 841 CB THR A 55 -9.236 4.148 -4.018 1.00 0.00 C ATOM 842 OG1 THR A 55 -8.129 5.023 -3.848 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.521 4.863 -3.599 1.00 0.00 C ATOM 0 H THR A 55 -7.182 2.815 -4.203 1.00 0.00 H new ATOM 0 HA THR A 55 -9.307 3.081 -2.111 1.00 0.00 H new ATOM 0 HB THR A 55 -9.309 3.855 -5.065 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.254 5.820 -4.404 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.661 5.751 -4.216 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.370 4.192 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.449 5.157 -2.552 1.00 0.00 H new ATOM 851 N GLU A 56 -10.909 1.378 -2.871 1.00 0.00 N ATOM 852 CA GLU A 56 -11.819 0.268 -3.294 1.00 0.00 C ATOM 853 C GLU A 56 -12.587 0.668 -4.556 1.00 0.00 C ATOM 854 O GLU A 56 -12.213 1.656 -5.166 1.00 0.00 O ATOM 855 CB GLU A 56 -12.783 0.064 -2.122 1.00 0.00 C ATOM 856 CG GLU A 56 -13.056 -1.430 -1.935 1.00 0.00 C ATOM 857 CD GLU A 56 -14.147 -1.876 -2.910 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.310 -1.759 -2.560 1.00 0.00 O ATOM 859 OE2 GLU A 56 -13.801 -2.328 -3.989 1.00 0.00 O ATOM 860 OXT GLU A 56 -13.537 -0.021 -4.891 1.00 0.00 O ATOM 0 H GLU A 56 -11.121 1.787 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.270 -0.644 -3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.357 0.483 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.717 0.594 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.144 -2.001 -2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.367 -1.628 -0.909 1.00 0.00 H new