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= -0.425 K(o=-0.43,f=-4.9!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 16:sc= -0.495 USER MOD Set 2.2: A 53 THR OG1 : rot 175:sc= -0.408 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 40:sc= -0.465 USER MOD Single : A 25 THR OG1 : rot -140: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 X(o=0,f=-0.12) USER MOD Single : A 37 ASN : amide:sc= -0.729 K(o=-0.73,f=-4.9!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -44:sc= 0.88 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0766 USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 9.024 2.117 2.719 1.00 0.00 N ATOM 32 CA PHE A 3 7.795 2.154 1.865 1.00 0.00 C ATOM 33 C PHE A 3 6.558 2.409 2.731 1.00 0.00 C ATOM 34 O PHE A 3 6.541 2.102 3.908 1.00 0.00 O ATOM 35 CB PHE A 3 7.715 0.770 1.199 1.00 0.00 C ATOM 36 CG PHE A 3 9.010 0.451 0.469 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.656 1.434 -0.298 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.561 -0.834 0.559 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.846 1.130 -0.970 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.752 -1.136 -0.113 1.00 0.00 C ATOM 41 CZ PHE A 3 11.394 -0.154 -0.877 1.00 0.00 C ATOM 0 HA PHE A 3 7.836 2.953 1.124 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.520 0.008 1.954 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.881 0.746 0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.234 2.426 -0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 3 9.067 -1.593 1.147 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.341 1.887 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 3 11.175 -2.127 -0.042 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.313 -0.388 -1.395 1.00 0.00 H new ATOM 51 N LYS A 4 5.524 2.973 2.155 1.00 0.00 N ATOM 52 CA LYS A 4 4.283 3.257 2.939 1.00 0.00 C ATOM 53 C LYS A 4 3.044 3.107 2.054 1.00 0.00 C ATOM 54 O LYS A 4 3.103 3.305 0.859 1.00 0.00 O ATOM 55 CB LYS A 4 4.429 4.709 3.395 1.00 0.00 C ATOM 56 CG LYS A 4 3.314 5.049 4.389 1.00 0.00 C ATOM 57 CD LYS A 4 3.485 6.489 4.885 1.00 0.00 C ATOM 58 CE LYS A 4 2.116 7.175 4.966 1.00 0.00 C ATOM 59 NZ LYS A 4 2.115 7.882 6.277 1.00 0.00 N ATOM 0 H LYS A 4 5.487 3.249 1.174 1.00 0.00 H new ATOM 0 HA LYS A 4 4.163 2.569 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.403 4.859 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.380 5.378 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.341 4.932 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.342 4.358 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.962 6.492 5.865 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.139 7.041 4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.975 7.873 4.141 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.306 6.448 4.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.209 8.376 6.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.244 7.191 7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.892 8.573 6.299 1.00 0.00 H new ATOM 73 N LEU A 5 1.922 2.772 2.641 1.00 0.00 N ATOM 74 CA LEU A 5 0.666 2.622 1.846 1.00 0.00 C ATOM 75 C LEU A 5 -0.539 3.034 2.695 1.00 0.00 C ATOM 76 O LEU A 5 -0.633 2.693 3.859 1.00 0.00 O ATOM 77 CB LEU A 5 0.581 1.134 1.483 1.00 0.00 C ATOM 78 CG LEU A 5 -0.179 0.964 0.152 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.624 0.072 -0.803 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.544 0.320 0.417 1.00 0.00 C ATOM 0 H LEU A 5 1.822 2.595 3.641 1.00 0.00 H new ATOM 0 HA LEU A 5 0.668 3.251 0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.583 0.713 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.072 0.585 2.276 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.317 1.945 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.079 -0.042 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.593 0.530 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.772 -0.907 -0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.079 0.201 -0.525 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.402 -0.657 0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.123 0.957 1.085 1.00 0.00 H new ATOM 92 N ILE A 6 -1.456 3.766 2.119 1.00 0.00 N ATOM 93 CA ILE A 6 -2.659 4.209 2.883 1.00 0.00 C ATOM 94 C ILE A 6 -3.892 3.425 2.419 1.00 0.00 C ATOM 95 O ILE A 6 -4.069 3.172 1.242 1.00 0.00 O ATOM 96 CB ILE A 6 -2.794 5.702 2.559 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.561 6.452 3.091 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.067 6.274 3.199 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.469 6.311 4.615 1.00 0.00 C ATOM 0 H ILE A 6 -1.423 4.077 1.148 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.569 4.036 3.955 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.861 5.828 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.658 6.056 2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.623 7.506 2.820 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.149 7.334 2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.938 5.746 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.019 6.148 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.592 6.847 4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.365 6.729 5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.385 5.257 4.878 1.00 0.00 H new ATOM 111 N ILE A 7 -4.738 3.041 3.339 1.00 0.00 N ATOM 112 CA ILE A 7 -5.962 2.270 2.967 1.00 0.00 C ATOM 113 C ILE A 7 -7.121 3.230 2.677 1.00 0.00 C ATOM 114 O ILE A 7 -7.545 3.980 3.536 1.00 0.00 O ATOM 115 CB ILE A 7 -6.274 1.398 4.189 1.00 0.00 C ATOM 116 CG1 ILE A 7 -5.086 0.476 4.479 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.516 0.546 3.912 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.322 -0.261 5.798 1.00 0.00 C ATOM 0 H ILE A 7 -4.634 3.229 4.336 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.815 1.669 2.070 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.458 2.041 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.962 -0.241 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.166 1.058 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.735 -0.072 4.783 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.366 1.197 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.333 -0.094 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.477 -0.917 6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.425 0.463 6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.233 -0.855 5.725 1.00 0.00 H new ATOM 130 N ASN A 8 -7.634 3.206 1.473 1.00 0.00 N ATOM 131 CA ASN A 8 -8.769 4.108 1.119 1.00 0.00 C ATOM 132 C ASN A 8 -10.004 3.278 0.765 1.00 0.00 C ATOM 133 O ASN A 8 -10.604 3.452 -0.279 1.00 0.00 O ATOM 134 CB ASN A 8 -8.284 4.901 -0.096 1.00 0.00 C ATOM 135 CG ASN A 8 -7.399 6.061 0.367 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.840 6.022 1.445 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.246 7.099 -0.409 1.00 0.00 N ATOM 0 H ASN A 8 -7.314 2.599 0.719 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.051 4.764 1.942 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.725 4.250 -0.768 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.137 5.283 -0.658 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.657 7.877 -0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.715 7.133 -1.314 1.00 0.00 H new ATOM 144 N GLY A 9 -10.382 2.375 1.632 1.00 0.00 N ATOM 145 CA GLY A 9 -11.576 1.522 1.362 1.00 0.00 C ATOM 146 C GLY A 9 -12.843 2.271 1.773 1.00 0.00 C ATOM 147 O GLY A 9 -12.794 3.222 2.530 1.00 0.00 O ATOM 0 H GLY A 9 -9.913 2.191 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.620 1.265 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.499 0.586 1.915 1.00 0.00 H new ATOM 151 N LYS A 10 -13.979 1.850 1.275 1.00 0.00 N ATOM 152 CA LYS A 10 -15.263 2.531 1.624 1.00 0.00 C ATOM 153 C LYS A 10 -15.461 2.571 3.145 1.00 0.00 C ATOM 154 O LYS A 10 -16.121 3.448 3.669 1.00 0.00 O ATOM 155 CB LYS A 10 -16.359 1.688 0.968 1.00 0.00 C ATOM 156 CG LYS A 10 -16.183 1.716 -0.552 1.00 0.00 C ATOM 157 CD LYS A 10 -17.427 1.129 -1.222 1.00 0.00 C ATOM 158 CE LYS A 10 -17.520 1.638 -2.662 1.00 0.00 C ATOM 159 NZ LYS A 10 -18.943 1.433 -3.050 1.00 0.00 N ATOM 0 H LYS A 10 -14.072 1.059 0.638 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.278 3.564 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.310 0.662 1.332 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.341 2.075 1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.023 2.739 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.300 1.144 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.378 0.040 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.321 1.413 -0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.240 2.689 -2.728 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.848 1.087 -3.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.087 1.759 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.179 0.422 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -19.559 1.975 -2.410 1.00 0.00 H new ATOM 173 N THR A 11 -14.892 1.626 3.850 1.00 0.00 N ATOM 174 CA THR A 11 -15.042 1.600 5.336 1.00 0.00 C ATOM 175 C THR A 11 -13.680 1.386 6.004 1.00 0.00 C ATOM 176 O THR A 11 -13.355 2.026 6.986 1.00 0.00 O ATOM 177 CB THR A 11 -15.970 0.418 5.619 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.108 0.498 4.772 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.416 0.456 7.081 1.00 0.00 C ATOM 0 H THR A 11 -14.329 0.870 3.459 1.00 0.00 H new ATOM 0 HA THR A 11 -15.442 2.536 5.727 1.00 0.00 H new ATOM 0 HB THR A 11 -15.439 -0.515 5.428 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.703 -0.260 4.951 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.077 -0.387 7.282 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.542 0.394 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.947 1.388 7.275 1.00 0.00 H new ATOM 187 N LEU A 12 -12.885 0.488 5.478 1.00 0.00 N ATOM 188 CA LEU A 12 -11.542 0.225 6.078 1.00 0.00 C ATOM 189 C LEU A 12 -10.541 1.294 5.631 1.00 0.00 C ATOM 190 O LEU A 12 -10.485 1.654 4.470 1.00 0.00 O ATOM 191 CB LEU A 12 -11.131 -1.150 5.547 1.00 0.00 C ATOM 192 CG LEU A 12 -12.130 -2.204 6.027 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.273 -3.294 4.963 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.625 -2.827 7.330 1.00 0.00 C ATOM 0 H LEU A 12 -13.109 -0.075 4.657 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.567 0.251 7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.098 -1.135 4.458 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.128 -1.400 5.893 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.099 -1.735 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.985 -4.045 5.305 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.631 -2.851 4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.305 -3.764 4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.336 -3.578 7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.656 -3.296 7.158 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.523 -2.051 8.089 1.00 0.00 H new ATOM 206 N LYS A 13 -9.752 1.800 6.545 1.00 0.00 N ATOM 207 CA LYS A 13 -8.750 2.848 6.182 1.00 0.00 C ATOM 208 C LYS A 13 -7.563 2.803 7.148 1.00 0.00 C ATOM 209 O LYS A 13 -7.503 1.969 8.032 1.00 0.00 O ATOM 210 CB LYS A 13 -9.499 4.174 6.314 1.00 0.00 C ATOM 211 CG LYS A 13 -10.507 4.308 5.170 1.00 0.00 C ATOM 212 CD LYS A 13 -10.999 5.754 5.089 1.00 0.00 C ATOM 213 CE LYS A 13 -11.946 5.906 3.897 1.00 0.00 C ATOM 214 NZ LYS A 13 -12.100 7.376 3.713 1.00 0.00 N ATOM 0 H LYS A 13 -9.759 1.532 7.529 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.348 2.705 5.179 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.014 4.219 7.274 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.795 5.005 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.044 4.017 4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.349 3.635 5.332 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.512 6.027 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -10.152 6.432 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.534 5.437 3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.907 5.430 4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.737 7.561 2.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.500 7.794 4.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.170 7.801 3.521 1.00 0.00 H new ATOM 228 N GLY A 14 -6.620 3.698 6.985 1.00 0.00 N ATOM 229 CA GLY A 14 -5.434 3.718 7.888 1.00 0.00 C ATOM 230 C GLY A 14 -4.156 3.842 7.056 1.00 0.00 C ATOM 231 O GLY A 14 -4.174 4.338 5.946 1.00 0.00 O ATOM 0 H GLY A 14 -6.623 4.417 6.262 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.509 4.553 8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.404 2.807 8.485 1.00 0.00 H new ATOM 235 N GLU A 15 -3.047 3.393 7.589 1.00 0.00 N ATOM 236 CA GLU A 15 -1.758 3.479 6.837 1.00 0.00 C ATOM 237 C GLU A 15 -0.871 2.274 7.168 1.00 0.00 C ATOM 238 O GLU A 15 -1.118 1.558 8.121 1.00 0.00 O ATOM 239 CB GLU A 15 -1.103 4.784 7.307 1.00 0.00 C ATOM 240 CG GLU A 15 -0.886 4.750 8.826 1.00 0.00 C ATOM 241 CD GLU A 15 0.577 4.419 9.132 1.00 0.00 C ATOM 242 OE1 GLU A 15 1.165 3.666 8.373 1.00 0.00 O ATOM 243 OE2 GLU A 15 1.084 4.924 10.120 1.00 0.00 O ATOM 0 H GLU A 15 -2.979 2.970 8.515 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.909 3.472 5.758 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.149 4.924 6.799 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.734 5.632 7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.150 5.714 9.262 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.540 4.005 9.280 1.00 0.00 H new ATOM 250 N THR A 16 0.156 2.047 6.388 1.00 0.00 N ATOM 251 CA THR A 16 1.061 0.886 6.656 1.00 0.00 C ATOM 252 C THR A 16 2.397 1.065 5.928 1.00 0.00 C ATOM 253 O THR A 16 2.491 1.792 4.959 1.00 0.00 O ATOM 254 CB THR A 16 0.314 -0.339 6.115 1.00 0.00 C ATOM 255 OG1 THR A 16 1.112 -1.498 6.308 1.00 0.00 O ATOM 256 CG2 THR A 16 0.022 -0.164 4.620 1.00 0.00 C ATOM 0 H THR A 16 0.407 2.614 5.578 1.00 0.00 H new ATOM 0 HA THR A 16 1.293 0.787 7.717 1.00 0.00 H new ATOM 0 HB THR A 16 -0.630 -0.446 6.650 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.637 -2.283 5.965 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.509 -1.040 4.248 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.593 0.723 4.471 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.960 -0.050 4.077 1.00 0.00 H new ATOM 264 N THR A 17 3.424 0.398 6.388 1.00 0.00 N ATOM 265 CA THR A 17 4.758 0.512 5.725 1.00 0.00 C ATOM 266 C THR A 17 5.454 -0.848 5.715 1.00 0.00 C ATOM 267 O THR A 17 5.156 -1.711 6.519 1.00 0.00 O ATOM 268 CB THR A 17 5.557 1.499 6.576 1.00 0.00 C ATOM 269 OG1 THR A 17 5.431 1.148 7.947 1.00 0.00 O ATOM 270 CG2 THR A 17 5.031 2.918 6.359 1.00 0.00 C ATOM 0 H THR A 17 3.396 -0.223 7.197 1.00 0.00 H new ATOM 0 HA THR A 17 4.669 0.846 4.691 1.00 0.00 H new ATOM 0 HB THR A 17 6.606 1.460 6.284 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.944 1.778 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.605 3.616 6.969 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.132 3.187 5.307 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.981 2.965 6.646 1.00 0.00 H new ATOM 278 N THR A 18 6.380 -1.042 4.812 1.00 0.00 N ATOM 279 CA THR A 18 7.102 -2.337 4.745 1.00 0.00 C ATOM 280 C THR A 18 8.573 -2.078 4.366 1.00 0.00 C ATOM 281 O THR A 18 8.903 -1.061 3.788 1.00 0.00 O ATOM 282 CB THR A 18 6.315 -3.155 3.682 1.00 0.00 C ATOM 283 OG1 THR A 18 5.617 -4.203 4.338 1.00 0.00 O ATOM 284 CG2 THR A 18 7.240 -3.767 2.625 1.00 0.00 C ATOM 0 H THR A 18 6.665 -0.352 4.117 1.00 0.00 H new ATOM 0 HA THR A 18 7.142 -2.885 5.686 1.00 0.00 H new ATOM 0 HB THR A 18 5.629 -2.476 3.176 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.245 -3.870 5.181 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.647 -4.329 1.904 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.780 -2.972 2.110 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.952 -4.436 3.108 1.00 0.00 H new ATOM 292 N GLU A 19 9.443 -3.003 4.678 1.00 0.00 N ATOM 293 CA GLU A 19 10.885 -2.834 4.332 1.00 0.00 C ATOM 294 C GLU A 19 11.321 -3.960 3.392 1.00 0.00 C ATOM 295 O GLU A 19 11.295 -5.122 3.754 1.00 0.00 O ATOM 296 CB GLU A 19 11.630 -2.925 5.664 1.00 0.00 C ATOM 297 CG GLU A 19 13.107 -2.589 5.445 1.00 0.00 C ATOM 298 CD GLU A 19 13.968 -3.421 6.397 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.701 -3.388 7.587 1.00 0.00 O ATOM 300 OE2 GLU A 19 14.878 -4.078 5.920 1.00 0.00 O ATOM 0 H GLU A 19 9.215 -3.873 5.160 1.00 0.00 H new ATOM 0 HA GLU A 19 11.086 -1.891 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.192 -2.236 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.532 -3.928 6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.388 -2.793 4.412 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.278 -1.527 5.618 1.00 0.00 H new ATOM 307 N ALA A 20 11.708 -3.627 2.187 1.00 0.00 N ATOM 308 CA ALA A 20 12.132 -4.680 1.217 1.00 0.00 C ATOM 309 C ALA A 20 13.203 -4.140 0.266 1.00 0.00 C ATOM 310 O ALA A 20 13.624 -3.003 0.371 1.00 0.00 O ATOM 311 CB ALA A 20 10.860 -5.030 0.445 1.00 0.00 C ATOM 0 H ALA A 20 11.749 -2.671 1.833 1.00 0.00 H new ATOM 0 HA ALA A 20 12.567 -5.546 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.083 -5.801 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.104 -5.399 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.485 -4.140 -0.061 1.00 0.00 H new ATOM 317 N VAL A 21 13.643 -4.953 -0.662 1.00 0.00 N ATOM 318 CA VAL A 21 14.689 -4.502 -1.634 1.00 0.00 C ATOM 319 C VAL A 21 14.202 -3.279 -2.410 1.00 0.00 C ATOM 320 O VAL A 21 14.965 -2.382 -2.720 1.00 0.00 O ATOM 321 CB VAL A 21 14.895 -5.689 -2.589 1.00 0.00 C ATOM 322 CG1 VAL A 21 13.586 -6.022 -3.317 1.00 0.00 C ATOM 323 CG2 VAL A 21 15.974 -5.339 -3.619 1.00 0.00 C ATOM 0 H VAL A 21 13.322 -5.913 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 21 15.613 -4.216 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 21 15.208 -6.556 -2.007 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.748 -6.864 -3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 21 12.820 -6.283 -2.587 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.259 -5.156 -3.892 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.119 -6.182 -4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.662 -4.465 -4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 21 16.910 -5.121 -3.105 1.00 0.00 H new ATOM 333 N ASP A 22 12.941 -3.257 -2.745 1.00 0.00 N ATOM 334 CA ASP A 22 12.396 -2.118 -3.526 1.00 0.00 C ATOM 335 C ASP A 22 10.905 -1.948 -3.230 1.00 0.00 C ATOM 336 O ASP A 22 10.265 -2.839 -2.703 1.00 0.00 O ATOM 337 CB ASP A 22 12.622 -2.535 -4.976 1.00 0.00 C ATOM 338 CG ASP A 22 12.146 -1.422 -5.912 1.00 0.00 C ATOM 339 OD1 ASP A 22 12.748 -0.362 -5.894 1.00 0.00 O ATOM 340 OD2 ASP A 22 11.187 -1.650 -6.632 1.00 0.00 O ATOM 0 H ASP A 22 12.265 -3.983 -2.509 1.00 0.00 H new ATOM 0 HA ASP A 22 12.868 -1.164 -3.289 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.679 -2.739 -5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.082 -3.458 -5.188 1.00 0.00 H new ATOM 345 N ALA A 23 10.349 -0.812 -3.563 1.00 0.00 N ATOM 346 CA ALA A 23 8.895 -0.582 -3.297 1.00 0.00 C ATOM 347 C ALA A 23 8.049 -1.592 -4.072 1.00 0.00 C ATOM 348 O ALA A 23 7.028 -2.046 -3.594 1.00 0.00 O ATOM 349 CB ALA A 23 8.613 0.842 -3.781 1.00 0.00 C ATOM 0 H ALA A 23 10.837 -0.034 -4.007 1.00 0.00 H new ATOM 0 HA ALA A 23 8.648 -0.704 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.562 1.081 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.235 1.545 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.840 0.917 -4.844 1.00 0.00 H new ATOM 355 N ALA A 24 8.467 -1.950 -5.262 1.00 0.00 N ATOM 356 CA ALA A 24 7.686 -2.940 -6.073 1.00 0.00 C ATOM 357 C ALA A 24 7.525 -4.251 -5.296 1.00 0.00 C ATOM 358 O ALA A 24 6.458 -4.837 -5.260 1.00 0.00 O ATOM 359 CB ALA A 24 8.515 -3.168 -7.339 1.00 0.00 C ATOM 0 H ALA A 24 9.315 -1.600 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 24 6.684 -2.580 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.005 -3.884 -7.984 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.636 -2.224 -7.870 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.495 -3.559 -7.067 1.00 0.00 H new ATOM 365 N THR A 25 8.577 -4.704 -4.666 1.00 0.00 N ATOM 366 CA THR A 25 8.492 -5.969 -3.877 1.00 0.00 C ATOM 367 C THR A 25 7.552 -5.765 -2.683 1.00 0.00 C ATOM 368 O THR A 25 6.720 -6.606 -2.380 1.00 0.00 O ATOM 369 CB THR A 25 9.934 -6.248 -3.409 1.00 0.00 C ATOM 370 OG1 THR A 25 10.716 -6.653 -4.524 1.00 0.00 O ATOM 371 CG2 THR A 25 9.953 -7.358 -2.347 1.00 0.00 C ATOM 0 H THR A 25 9.492 -4.253 -4.664 1.00 0.00 H new ATOM 0 HA THR A 25 8.096 -6.804 -4.456 1.00 0.00 H new ATOM 0 HB THR A 25 10.344 -5.338 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.319 -7.377 -4.255 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.980 -7.540 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.357 -7.050 -1.488 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.536 -8.272 -2.769 1.00 0.00 H new ATOM 379 N ALA A 26 7.691 -4.659 -1.998 1.00 0.00 N ATOM 380 CA ALA A 26 6.825 -4.404 -0.813 1.00 0.00 C ATOM 381 C ALA A 26 5.350 -4.377 -1.215 1.00 0.00 C ATOM 382 O ALA A 26 4.571 -5.188 -0.762 1.00 0.00 O ATOM 383 CB ALA A 26 7.250 -3.037 -0.269 1.00 0.00 C ATOM 0 H ALA A 26 8.366 -3.924 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 26 6.937 -5.190 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.649 -2.791 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.303 -3.068 0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.101 -2.278 -1.037 1.00 0.00 H new ATOM 389 N GLU A 27 4.961 -3.435 -2.048 1.00 0.00 N ATOM 390 CA GLU A 27 3.522 -3.318 -2.467 1.00 0.00 C ATOM 391 C GLU A 27 2.888 -4.685 -2.780 1.00 0.00 C ATOM 392 O GLU A 27 1.700 -4.874 -2.594 1.00 0.00 O ATOM 393 CB GLU A 27 3.521 -2.412 -3.706 1.00 0.00 C ATOM 394 CG GLU A 27 4.291 -3.074 -4.852 1.00 0.00 C ATOM 395 CD GLU A 27 3.989 -2.340 -6.160 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.010 -2.688 -6.799 1.00 0.00 O ATOM 397 OE2 GLU A 27 4.741 -1.442 -6.500 1.00 0.00 O ATOM 0 H GLU A 27 5.583 -2.738 -2.458 1.00 0.00 H new ATOM 0 HA GLU A 27 2.920 -2.903 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.496 -2.211 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.974 -1.451 -3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.361 -3.049 -4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.007 -4.123 -4.937 1.00 0.00 H new ATOM 404 N LYS A 28 3.671 -5.643 -3.216 1.00 0.00 N ATOM 405 CA LYS A 28 3.098 -6.996 -3.493 1.00 0.00 C ATOM 406 C LYS A 28 2.637 -7.600 -2.167 1.00 0.00 C ATOM 407 O LYS A 28 1.545 -8.124 -2.054 1.00 0.00 O ATOM 408 CB LYS A 28 4.240 -7.818 -4.094 1.00 0.00 C ATOM 409 CG LYS A 28 4.667 -7.207 -5.429 1.00 0.00 C ATOM 410 CD LYS A 28 6.094 -7.654 -5.760 1.00 0.00 C ATOM 411 CE LYS A 28 6.049 -8.859 -6.702 1.00 0.00 C ATOM 412 NZ LYS A 28 7.472 -9.259 -6.883 1.00 0.00 N ATOM 0 H LYS A 28 4.671 -5.548 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 28 2.246 -6.968 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.086 -7.841 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.920 -8.850 -4.241 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.984 -7.519 -6.219 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.618 -6.119 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.643 -6.836 -6.226 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.626 -7.915 -4.845 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.462 -9.672 -6.275 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.588 -8.598 -7.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.523 -10.081 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.005 -8.468 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.883 -9.508 -5.961 1.00 0.00 H new ATOM 426 N VAL A 29 3.461 -7.494 -1.155 1.00 0.00 N ATOM 427 CA VAL A 29 3.076 -8.021 0.190 1.00 0.00 C ATOM 428 C VAL A 29 1.953 -7.146 0.751 1.00 0.00 C ATOM 429 O VAL A 29 1.059 -7.625 1.421 1.00 0.00 O ATOM 430 CB VAL A 29 4.362 -7.914 1.039 1.00 0.00 C ATOM 431 CG1 VAL A 29 4.043 -7.964 2.543 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.294 -9.075 0.685 1.00 0.00 C ATOM 0 H VAL A 29 4.385 -7.065 -1.202 1.00 0.00 H new ATOM 0 HA VAL A 29 2.708 -9.047 0.173 1.00 0.00 H new ATOM 0 HB VAL A 29 4.840 -6.959 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.968 -7.886 3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.385 -7.135 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.549 -8.906 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.204 -9.006 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.794 -10.020 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.549 -9.027 -0.374 1.00 0.00 H new ATOM 442 N LEU A 30 1.998 -5.866 0.485 1.00 0.00 N ATOM 443 CA LEU A 30 0.931 -4.966 1.006 1.00 0.00 C ATOM 444 C LEU A 30 -0.385 -5.349 0.336 1.00 0.00 C ATOM 445 O LEU A 30 -1.440 -5.273 0.928 1.00 0.00 O ATOM 446 CB LEU A 30 1.367 -3.540 0.627 1.00 0.00 C ATOM 447 CG LEU A 30 2.522 -2.997 1.523 1.00 0.00 C ATOM 448 CD1 LEU A 30 1.959 -2.295 2.754 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.478 -4.097 2.001 1.00 0.00 C ATOM 0 H LEU A 30 2.724 -5.409 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 30 0.788 -5.041 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.687 -3.529 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.510 -2.871 0.704 1.00 0.00 H new ATOM 0 HG LEU A 30 3.081 -2.302 0.897 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.779 -1.923 3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.332 -1.460 2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.363 -3.000 3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.260 -3.656 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.924 -4.832 2.585 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.931 -4.586 1.138 1.00 0.00 H new ATOM 461 N LYS A 31 -0.317 -5.811 -0.892 1.00 0.00 N ATOM 462 CA LYS A 31 -1.556 -6.258 -1.599 1.00 0.00 C ATOM 463 C LYS A 31 -2.150 -7.421 -0.818 1.00 0.00 C ATOM 464 O LYS A 31 -3.338 -7.487 -0.568 1.00 0.00 O ATOM 465 CB LYS A 31 -1.087 -6.751 -2.968 1.00 0.00 C ATOM 466 CG LYS A 31 -2.232 -6.634 -3.982 1.00 0.00 C ATOM 467 CD LYS A 31 -3.251 -7.762 -3.759 1.00 0.00 C ATOM 468 CE LYS A 31 -2.557 -9.126 -3.881 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.358 -9.888 -4.880 1.00 0.00 N ATOM 0 H LYS A 31 0.544 -5.897 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.302 -5.469 -1.690 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.231 -6.164 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.755 -7.787 -2.898 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.721 -5.665 -3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.837 -6.686 -4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.706 -7.663 -2.774 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.055 -7.687 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.524 -9.013 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.532 -9.642 -2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.940 -10.831 -5.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.335 -9.987 -4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.358 -9.378 -5.787 1.00 0.00 H new ATOM 483 N GLN A 32 -1.301 -8.331 -0.411 1.00 0.00 N ATOM 484 CA GLN A 32 -1.768 -9.502 0.388 1.00 0.00 C ATOM 485 C GLN A 32 -2.509 -9.000 1.632 1.00 0.00 C ATOM 486 O GLN A 32 -3.533 -9.531 2.016 1.00 0.00 O ATOM 487 CB GLN A 32 -0.503 -10.256 0.777 1.00 0.00 C ATOM 488 CG GLN A 32 -0.280 -11.424 -0.187 1.00 0.00 C ATOM 489 CD GLN A 32 -0.914 -12.692 0.390 1.00 0.00 C ATOM 490 OE1 GLN A 32 -1.990 -13.085 -0.014 1.00 0.00 O ATOM 491 NE2 GLN A 32 -0.286 -13.352 1.325 1.00 0.00 N ATOM 0 H GLN A 32 -0.299 -8.312 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.454 -10.144 -0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.354 -9.583 0.753 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.589 -10.627 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.718 -11.196 -1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.787 -11.579 -0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.618 -13.021 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.699 -14.198 1.717 1.00 0.00 H new ATOM 500 N TYR A 33 -2.009 -7.949 2.236 1.00 0.00 N ATOM 501 CA TYR A 33 -2.697 -7.367 3.428 1.00 0.00 C ATOM 502 C TYR A 33 -4.046 -6.803 2.969 1.00 0.00 C ATOM 503 O TYR A 33 -5.065 -6.994 3.605 1.00 0.00 O ATOM 504 CB TYR A 33 -1.768 -6.252 3.925 1.00 0.00 C ATOM 505 CG TYR A 33 -2.426 -5.519 5.061 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.404 -6.070 6.340 1.00 0.00 C ATOM 507 CD2 TYR A 33 -3.068 -4.298 4.830 1.00 0.00 C ATOM 508 CE1 TYR A 33 -3.022 -5.405 7.398 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.687 -3.627 5.888 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.665 -4.180 7.175 1.00 0.00 C ATOM 511 OH TYR A 33 -4.276 -3.521 8.221 1.00 0.00 O ATOM 0 H TYR A 33 -1.154 -7.470 1.954 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.887 -8.090 4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.818 -6.675 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.546 -5.560 3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.908 -7.014 6.512 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.085 -3.875 3.836 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.005 -5.834 8.389 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.182 -2.683 5.714 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.673 -2.687 7.895 1.00 0.00 H new ATOM 521 N ILE A 34 -4.048 -6.128 1.849 1.00 0.00 N ATOM 522 CA ILE A 34 -5.318 -5.560 1.303 1.00 0.00 C ATOM 523 C ILE A 34 -6.286 -6.708 0.982 1.00 0.00 C ATOM 524 O ILE A 34 -7.491 -6.549 1.025 1.00 0.00 O ATOM 525 CB ILE A 34 -4.900 -4.822 0.023 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.920 -3.681 0.390 1.00 0.00 C ATOM 527 CG2 ILE A 34 -6.140 -4.279 -0.712 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.664 -2.450 0.925 1.00 0.00 C ATOM 0 H ILE A 34 -3.218 -5.944 1.285 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.825 -4.893 2.001 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.395 -5.514 -0.651 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.213 -4.035 1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.339 -3.402 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.827 -3.758 -1.617 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.797 -5.107 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.674 -3.587 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.945 -1.669 1.172 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.352 -2.082 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.224 -2.724 1.819 1.00 0.00 H new ATOM 540 N ASN A 35 -5.756 -7.864 0.660 1.00 0.00 N ATOM 541 CA ASN A 35 -6.626 -9.036 0.332 1.00 0.00 C ATOM 542 C ASN A 35 -7.543 -9.366 1.515 1.00 0.00 C ATOM 543 O ASN A 35 -8.636 -9.871 1.341 1.00 0.00 O ATOM 544 CB ASN A 35 -5.660 -10.192 0.066 1.00 0.00 C ATOM 545 CG ASN A 35 -6.409 -11.338 -0.617 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.119 -12.084 0.027 1.00 0.00 O ATOM 547 ND2 ASN A 35 -6.280 -11.510 -1.904 1.00 0.00 N ATOM 0 H ASN A 35 -4.754 -8.046 0.610 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.271 -8.839 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.837 -9.854 -0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.223 -10.537 1.003 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.775 -12.271 -2.369 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.684 -10.884 -2.445 1.00 0.00 H new ATOM 554 N ASP A 36 -7.102 -9.082 2.714 1.00 0.00 N ATOM 555 CA ASP A 36 -7.941 -9.373 3.916 1.00 0.00 C ATOM 556 C ASP A 36 -9.029 -8.307 4.069 1.00 0.00 C ATOM 557 O ASP A 36 -10.199 -8.616 4.194 1.00 0.00 O ATOM 558 CB ASP A 36 -6.974 -9.328 5.100 1.00 0.00 C ATOM 559 CG ASP A 36 -7.721 -9.695 6.384 1.00 0.00 C ATOM 560 OD1 ASP A 36 -8.559 -8.914 6.802 1.00 0.00 O ATOM 561 OD2 ASP A 36 -7.442 -10.751 6.927 1.00 0.00 O ATOM 0 H ASP A 36 -6.195 -8.660 2.913 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.446 -10.336 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.149 -10.021 4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.540 -8.332 5.191 1.00 0.00 H new ATOM 566 N ASN A 37 -8.648 -7.055 4.057 1.00 0.00 N ATOM 567 CA ASN A 37 -9.656 -5.959 4.200 1.00 0.00 C ATOM 568 C ASN A 37 -10.642 -5.996 3.029 1.00 0.00 C ATOM 569 O ASN A 37 -11.788 -5.610 3.160 1.00 0.00 O ATOM 570 CB ASN A 37 -8.849 -4.659 4.177 1.00 0.00 C ATOM 571 CG ASN A 37 -7.924 -4.609 5.395 1.00 0.00 C ATOM 572 OD1 ASN A 37 -7.545 -5.634 5.927 1.00 0.00 O ATOM 573 ND2 ASN A 37 -7.543 -3.452 5.863 1.00 0.00 N ATOM 0 H ASN A 37 -7.682 -6.743 3.954 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.239 -6.056 5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.263 -4.599 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.522 -3.801 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.927 -3.408 6.675 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.861 -2.592 5.417 1.00 0.00 H new ATOM 580 N GLY A 38 -10.200 -6.460 1.887 1.00 0.00 N ATOM 581 CA GLY A 38 -11.102 -6.528 0.700 1.00 0.00 C ATOM 582 C GLY A 38 -11.169 -5.155 0.028 1.00 0.00 C ATOM 583 O GLY A 38 -12.176 -4.786 -0.546 1.00 0.00 O ATOM 0 H GLY A 38 -9.250 -6.795 1.727 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.735 -7.272 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.099 -6.844 1.006 1.00 0.00 H new ATOM 587 N ILE A 39 -10.102 -4.399 0.096 1.00 0.00 N ATOM 588 CA ILE A 39 -10.095 -3.047 -0.539 1.00 0.00 C ATOM 589 C ILE A 39 -9.090 -3.013 -1.695 1.00 0.00 C ATOM 590 O ILE A 39 -8.010 -2.466 -1.573 1.00 0.00 O ATOM 591 CB ILE A 39 -9.675 -2.080 0.577 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.668 -2.166 1.750 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.644 -0.646 0.037 1.00 0.00 C ATOM 594 CD1 ILE A 39 -12.084 -1.809 1.278 1.00 0.00 C ATOM 0 H ILE A 39 -9.235 -4.661 0.565 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.066 -2.781 -0.956 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.681 -2.357 0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.660 -3.172 2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.361 -1.487 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.345 0.036 0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.929 -0.582 -0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.635 -0.371 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.775 -1.874 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.090 -0.794 0.881 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.394 -2.505 0.499 1.00 0.00 H new ATOM 606 N ASP A 40 -9.442 -3.592 -2.814 1.00 0.00 N ATOM 607 CA ASP A 40 -8.517 -3.597 -3.987 1.00 0.00 C ATOM 608 C ASP A 40 -9.160 -2.857 -5.162 1.00 0.00 C ATOM 609 O ASP A 40 -9.988 -3.403 -5.869 1.00 0.00 O ATOM 610 CB ASP A 40 -8.315 -5.074 -4.328 1.00 0.00 C ATOM 611 CG ASP A 40 -7.290 -5.684 -3.371 1.00 0.00 C ATOM 612 OD1 ASP A 40 -6.181 -5.178 -3.321 1.00 0.00 O ATOM 613 OD2 ASP A 40 -7.630 -6.648 -2.704 1.00 0.00 O ATOM 0 H ASP A 40 -10.334 -4.063 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.572 -3.098 -3.773 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.262 -5.608 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.973 -5.177 -5.358 1.00 0.00 H new ATOM 618 N GLY A 41 -8.791 -1.618 -5.371 1.00 0.00 N ATOM 619 CA GLY A 41 -9.384 -0.836 -6.496 1.00 0.00 C ATOM 620 C GLY A 41 -8.273 -0.164 -7.306 1.00 0.00 C ATOM 621 O GLY A 41 -7.810 -0.698 -8.297 1.00 0.00 O ATOM 0 H GLY A 41 -8.104 -1.115 -4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.968 -1.494 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.068 -0.082 -6.106 1.00 0.00 H new ATOM 625 N GLU A 42 -7.851 1.007 -6.898 1.00 0.00 N ATOM 626 CA GLU A 42 -6.776 1.723 -7.650 1.00 0.00 C ATOM 627 C GLU A 42 -5.693 2.230 -6.695 1.00 0.00 C ATOM 628 O GLU A 42 -5.963 2.990 -5.784 1.00 0.00 O ATOM 629 CB GLU A 42 -7.484 2.902 -8.328 1.00 0.00 C ATOM 630 CG GLU A 42 -7.631 2.627 -9.826 1.00 0.00 C ATOM 631 CD GLU A 42 -8.937 3.241 -10.333 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.043 4.456 -10.318 1.00 0.00 O ATOM 633 OE2 GLU A 42 -9.810 2.486 -10.728 1.00 0.00 O ATOM 0 H GLU A 42 -8.205 1.498 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.279 1.071 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.465 3.055 -7.879 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.915 3.818 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.784 3.048 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.626 1.553 -10.011 1.00 0.00 H new ATOM 640 N TRP A 43 -4.467 1.821 -6.908 1.00 0.00 N ATOM 641 CA TRP A 43 -3.356 2.284 -6.026 1.00 0.00 C ATOM 642 C TRP A 43 -2.613 3.439 -6.699 1.00 0.00 C ATOM 643 O TRP A 43 -2.746 3.663 -7.888 1.00 0.00 O ATOM 644 CB TRP A 43 -2.400 1.094 -5.894 1.00 0.00 C ATOM 645 CG TRP A 43 -2.987 -0.017 -5.075 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.302 -0.333 -4.957 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.268 -0.976 -4.259 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.419 -1.443 -4.144 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.195 -1.868 -3.680 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.907 -1.155 -3.975 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.787 -2.902 -2.845 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.490 -2.194 -3.129 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.428 -3.065 -2.566 1.00 0.00 C ATOM 0 H TRP A 43 -4.189 1.186 -7.656 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.729 2.623 -5.060 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.151 0.719 -6.887 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.469 1.427 -5.436 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.121 0.196 -5.422 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.305 -1.893 -3.915 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.176 -0.490 -4.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.515 -3.574 -2.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.560 -2.322 -2.912 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.102 -3.863 -1.916 1.00 0.00 H new ATOM 664 N THR A 44 -1.810 4.152 -5.955 1.00 0.00 N ATOM 665 CA THR A 44 -1.023 5.273 -6.549 1.00 0.00 C ATOM 666 C THR A 44 0.290 5.427 -5.784 1.00 0.00 C ATOM 667 O THR A 44 0.309 5.467 -4.568 1.00 0.00 O ATOM 668 CB THR A 44 -1.883 6.531 -6.403 1.00 0.00 C ATOM 669 OG1 THR A 44 -2.100 6.803 -5.027 1.00 0.00 O ATOM 670 CG2 THR A 44 -3.227 6.331 -7.108 1.00 0.00 C ATOM 0 H THR A 44 -1.664 4.006 -4.956 1.00 0.00 H new ATOM 0 HA THR A 44 -0.781 5.092 -7.596 1.00 0.00 H new ATOM 0 HB THR A 44 -1.364 7.373 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.455 6.298 -4.488 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.832 7.231 -6.999 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.057 6.134 -8.166 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.750 5.486 -6.661 1.00 0.00 H new ATOM 678 N TYR A 45 1.386 5.503 -6.489 1.00 0.00 N ATOM 679 CA TYR A 45 2.709 5.642 -5.812 1.00 0.00 C ATOM 680 C TYR A 45 3.055 7.127 -5.636 1.00 0.00 C ATOM 681 O TYR A 45 2.500 7.982 -6.302 1.00 0.00 O ATOM 682 CB TYR A 45 3.705 4.963 -6.758 1.00 0.00 C ATOM 683 CG TYR A 45 5.100 5.046 -6.182 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.365 4.524 -4.912 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.126 5.647 -6.920 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.657 4.602 -4.378 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.418 5.726 -6.387 1.00 0.00 C ATOM 688 CZ TYR A 45 7.684 5.203 -5.116 1.00 0.00 C ATOM 689 OH TYR A 45 8.957 5.281 -4.590 1.00 0.00 O ATOM 0 H TYR A 45 1.423 5.475 -7.508 1.00 0.00 H new ATOM 0 HA TYR A 45 2.720 5.194 -4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.425 3.920 -6.907 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.677 5.444 -7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.573 4.061 -4.343 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.921 6.050 -7.901 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.861 4.199 -3.397 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.210 6.190 -6.956 1.00 0.00 H new ATOM 0 HH TYR A 45 9.549 5.726 -5.231 1.00 0.00 H new ATOM 699 N ASP A 46 3.974 7.437 -4.754 1.00 0.00 N ATOM 700 CA ASP A 46 4.365 8.867 -4.545 1.00 0.00 C ATOM 701 C ASP A 46 5.887 8.979 -4.424 1.00 0.00 C ATOM 702 O ASP A 46 6.507 8.284 -3.640 1.00 0.00 O ATOM 703 CB ASP A 46 3.699 9.310 -3.235 1.00 0.00 C ATOM 704 CG ASP A 46 2.194 9.018 -3.279 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.567 9.392 -4.256 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.698 8.424 -2.336 1.00 0.00 O ATOM 0 H ASP A 46 4.470 6.763 -4.171 1.00 0.00 H new ATOM 0 HA ASP A 46 4.050 9.492 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.153 8.788 -2.393 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.865 10.376 -3.076 1.00 0.00 H new ATOM 711 N ASP A 47 6.488 9.854 -5.189 1.00 0.00 N ATOM 712 CA ASP A 47 7.972 10.024 -5.119 1.00 0.00 C ATOM 713 C ASP A 47 8.375 10.815 -3.862 1.00 0.00 C ATOM 714 O ASP A 47 9.547 10.999 -3.593 1.00 0.00 O ATOM 715 CB ASP A 47 8.344 10.803 -6.383 1.00 0.00 C ATOM 716 CG ASP A 47 9.864 10.960 -6.460 1.00 0.00 C ATOM 717 OD1 ASP A 47 10.369 11.919 -5.898 1.00 0.00 O ATOM 718 OD2 ASP A 47 10.496 10.120 -7.078 1.00 0.00 O ATOM 0 H ASP A 47 6.015 10.459 -5.860 1.00 0.00 H new ATOM 0 HA ASP A 47 8.486 9.065 -5.060 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.977 10.280 -7.266 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.867 11.783 -6.372 1.00 0.00 H new ATOM 723 N ALA A 48 7.418 11.281 -3.089 1.00 0.00 N ATOM 724 CA ALA A 48 7.752 12.056 -1.851 1.00 0.00 C ATOM 725 C ALA A 48 8.642 11.221 -0.923 1.00 0.00 C ATOM 726 O ALA A 48 9.816 11.491 -0.761 1.00 0.00 O ATOM 727 CB ALA A 48 6.402 12.334 -1.184 1.00 0.00 C ATOM 0 H ALA A 48 6.421 11.157 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 48 8.298 12.973 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.559 12.900 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.773 12.910 -1.862 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.911 11.390 -0.948 1.00 0.00 H new ATOM 733 N THR A 49 8.081 10.207 -0.321 1.00 0.00 N ATOM 734 CA THR A 49 8.870 9.334 0.599 1.00 0.00 C ATOM 735 C THR A 49 8.532 7.867 0.321 1.00 0.00 C ATOM 736 O THR A 49 8.428 7.059 1.222 1.00 0.00 O ATOM 737 CB THR A 49 8.426 9.735 2.011 1.00 0.00 C ATOM 738 OG1 THR A 49 9.112 8.935 2.964 1.00 0.00 O ATOM 739 CG2 THR A 49 6.913 9.530 2.165 1.00 0.00 C ATOM 0 H THR A 49 7.102 9.943 -0.427 1.00 0.00 H new ATOM 0 HA THR A 49 9.946 9.450 0.471 1.00 0.00 H new ATOM 0 HB THR A 49 8.660 10.787 2.175 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.116 8.002 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.607 9.817 3.171 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.386 10.146 1.436 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.669 8.481 1.998 1.00 0.00 H new ATOM 747 N LYS A 50 8.349 7.531 -0.930 1.00 0.00 N ATOM 748 CA LYS A 50 8.002 6.127 -1.313 1.00 0.00 C ATOM 749 C LYS A 50 6.730 5.664 -0.593 1.00 0.00 C ATOM 750 O LYS A 50 6.754 4.744 0.203 1.00 0.00 O ATOM 751 CB LYS A 50 9.204 5.263 -0.907 1.00 0.00 C ATOM 752 CG LYS A 50 10.459 5.750 -1.636 1.00 0.00 C ATOM 753 CD LYS A 50 11.679 5.564 -0.731 1.00 0.00 C ATOM 754 CE LYS A 50 12.906 5.241 -1.587 1.00 0.00 C ATOM 755 NZ LYS A 50 14.024 5.998 -0.958 1.00 0.00 N ATOM 0 H LYS A 50 8.426 8.179 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 50 7.802 6.048 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.354 5.316 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.012 4.218 -1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.593 5.193 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.351 6.800 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.856 6.469 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.497 4.759 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.110 4.170 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.756 5.546 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.901 5.827 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 13.805 7.015 -0.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.148 5.682 0.025 1.00 0.00 H new ATOM 769 N THR A 51 5.617 6.289 -0.885 1.00 0.00 N ATOM 770 CA THR A 51 4.329 5.885 -0.242 1.00 0.00 C ATOM 771 C THR A 51 3.453 5.174 -1.278 1.00 0.00 C ATOM 772 O THR A 51 3.902 4.867 -2.366 1.00 0.00 O ATOM 773 CB THR A 51 3.662 7.191 0.221 1.00 0.00 C ATOM 774 OG1 THR A 51 4.657 8.134 0.590 1.00 0.00 O ATOM 775 CG2 THR A 51 2.755 6.920 1.428 1.00 0.00 C ATOM 0 H THR A 51 5.545 7.065 -1.544 1.00 0.00 H new ATOM 0 HA THR A 51 4.479 5.204 0.595 1.00 0.00 H new ATOM 0 HB THR A 51 3.064 7.589 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.228 8.965 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 51 2.287 7.851 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.983 6.203 1.149 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.350 6.513 2.246 1.00 0.00 H new ATOM 783 N TRP A 52 2.214 4.909 -0.952 1.00 0.00 N ATOM 784 CA TRP A 52 1.315 4.216 -1.919 1.00 0.00 C ATOM 785 C TRP A 52 -0.149 4.532 -1.608 1.00 0.00 C ATOM 786 O TRP A 52 -0.451 5.375 -0.784 1.00 0.00 O ATOM 787 CB TRP A 52 1.572 2.731 -1.702 1.00 0.00 C ATOM 788 CG TRP A 52 2.818 2.308 -2.406 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.037 2.176 -1.837 1.00 0.00 C ATOM 790 CD2 TRP A 52 2.975 1.943 -3.798 1.00 0.00 C ATOM 791 NE1 TRP A 52 4.937 1.763 -2.804 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.326 1.605 -4.033 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.076 1.881 -4.866 1.00 0.00 C ATOM 794 CZ2 TRP A 52 4.770 1.215 -5.297 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.513 1.489 -6.142 1.00 0.00 C ATOM 796 CH2 TRP A 52 3.859 1.157 -6.358 1.00 0.00 C ATOM 0 H TRP A 52 1.787 5.144 -0.056 1.00 0.00 H new ATOM 0 HA TRP A 52 1.506 4.530 -2.945 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.661 2.523 -0.636 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.725 2.152 -2.070 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.270 2.362 -0.799 1.00 0.00 H new ATOM 0 HE1 TRP A 52 5.928 1.596 -2.631 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.038 2.136 -4.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.807 0.960 -5.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.810 1.443 -6.960 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.191 0.857 -7.341 1.00 0.00 H new ATOM 807 N THR A 53 -1.060 3.849 -2.259 1.00 0.00 N ATOM 808 CA THR A 53 -2.513 4.089 -2.004 1.00 0.00 C ATOM 809 C THR A 53 -3.337 2.881 -2.469 1.00 0.00 C ATOM 810 O THR A 53 -2.824 1.973 -3.095 1.00 0.00 O ATOM 811 CB THR A 53 -2.872 5.331 -2.826 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.907 6.350 -2.599 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.252 5.842 -2.413 1.00 0.00 C ATOM 0 H THR A 53 -0.858 3.134 -2.958 1.00 0.00 H new ATOM 0 HA THR A 53 -2.724 4.233 -0.944 1.00 0.00 H new ATOM 0 HB THR A 53 -2.883 5.068 -3.884 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.092 7.112 -3.187 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.504 6.725 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.996 5.065 -2.590 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.242 6.101 -1.354 1.00 0.00 H new ATOM 821 N VAL A 54 -4.607 2.866 -2.156 1.00 0.00 N ATOM 822 CA VAL A 54 -5.481 1.720 -2.564 1.00 0.00 C ATOM 823 C VAL A 54 -6.951 2.084 -2.328 1.00 0.00 C ATOM 824 O VAL A 54 -7.548 1.688 -1.344 1.00 0.00 O ATOM 825 CB VAL A 54 -5.044 0.544 -1.668 1.00 0.00 C ATOM 826 CG1 VAL A 54 -5.113 0.954 -0.194 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.957 -0.668 -1.894 1.00 0.00 C ATOM 0 H VAL A 54 -5.081 3.602 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.384 1.469 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.019 0.277 -1.927 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.803 0.117 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.450 1.802 -0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.135 1.235 0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.636 -1.490 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.985 -0.399 -1.651 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.900 -0.977 -2.938 1.00 0.00 H new ATOM 837 N THR A 55 -7.532 2.838 -3.226 1.00 0.00 N ATOM 838 CA THR A 55 -8.962 3.239 -3.068 1.00 0.00 C ATOM 839 C THR A 55 -9.882 2.172 -3.665 1.00 0.00 C ATOM 840 O THR A 55 -9.611 1.629 -4.720 1.00 0.00 O ATOM 841 CB THR A 55 -9.091 4.551 -3.846 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.962 5.371 -3.578 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.365 5.278 -3.415 1.00 0.00 C ATOM 0 H THR A 55 -7.075 3.194 -4.065 1.00 0.00 H new ATOM 0 HA THR A 55 -9.245 3.352 -2.022 1.00 0.00 H new ATOM 0 HB THR A 55 -9.141 4.338 -4.914 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.042 6.211 -4.077 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.456 6.212 -3.969 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.231 4.648 -3.620 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.318 5.493 -2.347 1.00 0.00 H new ATOM 851 N GLU A 56 -10.967 1.870 -2.998 1.00 0.00 N ATOM 852 CA GLU A 56 -11.913 0.839 -3.522 1.00 0.00 C ATOM 853 C GLU A 56 -12.850 1.460 -4.561 1.00 0.00 C ATOM 854 O GLU A 56 -13.739 2.195 -4.164 1.00 0.00 O ATOM 855 CB GLU A 56 -12.703 0.367 -2.301 1.00 0.00 C ATOM 856 CG GLU A 56 -13.170 -1.073 -2.519 1.00 0.00 C ATOM 857 CD GLU A 56 -14.484 -1.072 -3.303 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.473 -0.606 -2.762 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.478 -1.536 -4.431 1.00 0.00 O ATOM 860 OXT GLU A 56 -12.661 1.190 -5.736 1.00 0.00 O ATOM 0 H GLU A 56 -11.239 2.294 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.395 0.016 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.082 0.427 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.562 1.018 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.410 -1.634 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.308 -1.571 -1.559 1.00 0.00 H new