USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 NoAdj-H: A 1 LEU H2 : A 1 LEU N : A 64 TRP C :(NH2R) USER MOD Set 1.1: A 2 THR OG1 : rot 84:sc= 1.65 USER MOD Set 1.2: A 9 SER OG : rot -36:sc= 0.537 USER MOD Single : A 1 LEU N :NH3+ -132:sc= 1.49 (180deg=-1.04) USER MOD Single : A 4 ASN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0.311 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -166:sc= -0.0174 (180deg=-0.205) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc=-0.00332 X(o=-0.0033,f=0.18) USER MOD Single : A 21 THR OG1 : rot -74:sc= 1.27 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -170:sc= -0.252 USER MOD Single : A 33 THR OG1 : rot 73:sc= 1.22 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 88:sc= 1.25 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0602 (180deg=-0.308) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.908 -3.425 0.854 1.00 0.00 N ATOM 2 CA LEU A 1 4.621 -4.101 0.838 1.00 0.00 C ATOM 3 C LEU A 1 4.810 -5.539 0.421 1.00 0.00 C ATOM 4 O LEU A 1 4.426 -6.456 1.129 1.00 0.00 O ATOM 5 CB LEU A 1 3.660 -3.410 -0.141 1.00 0.00 C ATOM 6 CG LEU A 1 3.153 -2.014 0.237 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.425 -1.404 -0.939 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.216 -2.084 1.428 1.00 0.00 C ATOM 0 H1 LEU A 1 6.013 -2.899 1.745 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.963 -2.764 0.053 1.00 0.00 H new ATOM 0 HA LEU A 1 4.194 -4.059 1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.158 -3.337 -1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.794 -4.058 -0.277 1.00 0.00 H new ATOM 0 HG LEU A 1 4.010 -1.396 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.065 -0.411 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.105 -1.325 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.579 -2.035 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.869 -1.081 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.361 -2.713 1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.744 -2.508 2.282 1.00 0.00 H new ATOM 20 N THR A 2 5.467 -5.715 -0.698 1.00 0.00 N ATOM 21 CA THR A 2 5.741 -7.024 -1.264 1.00 0.00 C ATOM 22 C THR A 2 6.441 -7.925 -0.248 1.00 0.00 C ATOM 23 O THR A 2 6.012 -9.069 -0.026 1.00 0.00 O ATOM 24 CB THR A 2 6.620 -6.871 -2.536 1.00 0.00 C ATOM 25 OG1 THR A 2 5.933 -6.136 -3.556 1.00 0.00 O ATOM 26 CG2 THR A 2 7.112 -8.202 -3.075 1.00 0.00 C ATOM 0 H THR A 2 5.835 -4.944 -1.255 1.00 0.00 H new ATOM 0 HA THR A 2 4.793 -7.490 -1.532 1.00 0.00 H new ATOM 0 HB THR A 2 7.501 -6.306 -2.232 1.00 0.00 H new ATOM 0 HG1 THR A 2 6.046 -5.175 -3.399 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.720 -8.032 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 2 7.711 -8.703 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 2 6.258 -8.828 -3.334 1.00 0.00 H new ATOM 34 N ALA A 3 7.457 -7.382 0.376 1.00 0.00 N ATOM 35 CA ALA A 3 8.289 -8.088 1.335 1.00 0.00 C ATOM 36 C ALA A 3 7.520 -8.514 2.589 1.00 0.00 C ATOM 37 O ALA A 3 7.588 -9.666 3.007 1.00 0.00 O ATOM 38 CB ALA A 3 9.455 -7.200 1.726 1.00 0.00 C ATOM 0 H ALA A 3 7.740 -6.413 0.232 1.00 0.00 H new ATOM 0 HA ALA A 3 8.642 -9.001 0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.085 -7.723 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.041 -6.958 0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.078 -6.281 2.174 1.00 0.00 H new ATOM 44 N ASN A 4 6.764 -7.598 3.149 1.00 0.00 N ATOM 45 CA ASN A 4 6.099 -7.826 4.436 1.00 0.00 C ATOM 46 C ASN A 4 4.779 -8.530 4.296 1.00 0.00 C ATOM 47 O ASN A 4 4.380 -9.309 5.173 1.00 0.00 O ATOM 48 CB ASN A 4 5.913 -6.515 5.211 1.00 0.00 C ATOM 49 CG ASN A 4 7.215 -5.946 5.736 1.00 0.00 C ATOM 50 OD1 ASN A 4 7.638 -6.256 6.853 1.00 0.00 O ATOM 51 ND2 ASN A 4 7.855 -5.127 4.958 1.00 0.00 N ATOM 0 H ASN A 4 6.586 -6.680 2.741 1.00 0.00 H new ATOM 0 HA ASN A 4 6.761 -8.482 5.001 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.438 -5.780 4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 4 5.235 -6.687 6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.738 -4.717 5.264 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.475 -4.893 4.041 1.00 0.00 H new ATOM 58 N LEU A 5 4.091 -8.268 3.222 1.00 0.00 N ATOM 59 CA LEU A 5 2.795 -8.864 3.021 1.00 0.00 C ATOM 60 C LEU A 5 2.941 -10.169 2.272 1.00 0.00 C ATOM 61 O LEU A 5 2.125 -11.076 2.432 1.00 0.00 O ATOM 62 CB LEU A 5 1.929 -7.921 2.215 1.00 0.00 C ATOM 63 CG LEU A 5 1.824 -6.495 2.743 1.00 0.00 C ATOM 64 CD1 LEU A 5 1.170 -5.635 1.705 1.00 0.00 C ATOM 65 CD2 LEU A 5 1.049 -6.440 4.050 1.00 0.00 C ATOM 0 H LEU A 5 4.401 -7.649 2.473 1.00 0.00 H new ATOM 0 HA LEU A 5 2.333 -9.053 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.317 -7.883 1.197 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.925 -8.341 2.157 1.00 0.00 H new ATOM 0 HG LEU A 5 2.828 -6.123 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.091 -4.613 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.769 -5.645 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.173 -6.020 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.994 -5.408 4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.041 -6.824 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 5 1.556 -7.048 4.799 1.00 0.00 H new ATOM 77 N GLY A 6 3.992 -10.273 1.463 1.00 0.00 N ATOM 78 CA GLY A 6 4.222 -11.506 0.739 1.00 0.00 C ATOM 79 C GLY A 6 3.397 -11.539 -0.507 1.00 0.00 C ATOM 80 O GLY A 6 2.912 -12.587 -0.932 1.00 0.00 O ATOM 0 H GLY A 6 4.678 -9.536 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.278 -11.595 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 6 3.973 -12.358 1.371 1.00 0.00 H new ATOM 84 N ILE A 7 3.254 -10.389 -1.103 1.00 0.00 N ATOM 85 CA ILE A 7 2.415 -10.234 -2.273 1.00 0.00 C ATOM 86 C ILE A 7 3.280 -9.931 -3.462 1.00 0.00 C ATOM 87 O ILE A 7 4.496 -9.834 -3.326 1.00 0.00 O ATOM 88 CB ILE A 7 1.365 -9.101 -2.103 1.00 0.00 C ATOM 89 CG1 ILE A 7 2.050 -7.744 -1.832 1.00 0.00 C ATOM 90 CG2 ILE A 7 0.370 -9.452 -0.998 1.00 0.00 C ATOM 91 CD1 ILE A 7 1.097 -6.567 -1.768 1.00 0.00 C ATOM 0 H ILE A 7 3.712 -9.530 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 7 1.871 -11.168 -2.415 1.00 0.00 H new ATOM 0 HB ILE A 7 0.811 -9.006 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.595 -7.807 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.786 -7.559 -2.615 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.357 -8.647 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.147 -10.377 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.903 -9.583 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.659 -5.654 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.569 -6.474 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.376 -6.726 -0.966 1.00 0.00 H new ATOM 103 N SER A 8 2.685 -9.801 -4.608 1.00 0.00 N ATOM 104 CA SER A 8 3.423 -9.451 -5.779 1.00 0.00 C ATOM 105 C SER A 8 3.641 -7.945 -5.790 1.00 0.00 C ATOM 106 O SER A 8 2.878 -7.194 -5.158 1.00 0.00 O ATOM 107 CB SER A 8 2.648 -9.889 -7.024 1.00 0.00 C ATOM 108 OG SER A 8 1.349 -9.309 -7.038 1.00 0.00 O ATOM 0 H SER A 8 1.684 -9.933 -4.756 1.00 0.00 H new ATOM 0 HA SER A 8 4.390 -9.955 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.193 -9.594 -7.920 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.567 -10.976 -7.044 1.00 0.00 H new ATOM 0 HG SER A 8 0.870 -9.599 -7.842 1.00 0.00 H new ATOM 114 N SER A 9 4.650 -7.491 -6.490 1.00 0.00 N ATOM 115 CA SER A 9 4.872 -6.081 -6.622 1.00 0.00 C ATOM 116 C SER A 9 3.825 -5.480 -7.555 1.00 0.00 C ATOM 117 O SER A 9 3.636 -4.269 -7.595 1.00 0.00 O ATOM 118 CB SER A 9 6.273 -5.819 -7.102 1.00 0.00 C ATOM 119 OG SER A 9 7.200 -6.449 -6.223 1.00 0.00 O ATOM 0 H SER A 9 5.327 -8.079 -6.975 1.00 0.00 H new ATOM 0 HA SER A 9 4.767 -5.599 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.399 -6.200 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.462 -4.746 -7.139 1.00 0.00 H new ATOM 0 HG SER A 9 6.866 -6.396 -5.303 1.00 0.00 H new ATOM 125 N TYR A 10 3.141 -6.350 -8.302 1.00 0.00 N ATOM 126 CA TYR A 10 2.016 -5.942 -9.101 1.00 0.00 C ATOM 127 C TYR A 10 0.933 -5.471 -8.145 1.00 0.00 C ATOM 128 O TYR A 10 0.420 -4.365 -8.271 1.00 0.00 O ATOM 129 CB TYR A 10 1.486 -7.115 -9.937 1.00 0.00 C ATOM 130 CG TYR A 10 0.449 -6.710 -10.975 1.00 0.00 C ATOM 131 CD1 TYR A 10 -0.872 -6.404 -10.622 1.00 0.00 C ATOM 132 CD2 TYR A 10 0.800 -6.615 -12.307 1.00 0.00 C ATOM 133 CE1 TYR A 10 -1.788 -6.023 -11.573 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.114 -6.232 -13.260 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.401 -5.938 -12.894 1.00 0.00 C ATOM 136 OH TYR A 10 -2.305 -5.550 -13.854 1.00 0.00 O ATOM 0 H TYR A 10 3.360 -7.345 -8.360 1.00 0.00 H new ATOM 0 HA TYR A 10 2.313 -5.150 -9.788 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.323 -7.597 -10.442 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.048 -7.856 -9.269 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.175 -6.469 -9.587 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.812 -6.846 -12.606 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.804 -5.792 -11.288 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.182 -6.163 -14.296 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.868 -5.542 -14.731 1.00 0.00 H new ATOM 146 N ALA A 11 0.618 -6.325 -7.171 1.00 0.00 N ATOM 147 CA ALA A 11 -0.362 -6.015 -6.143 1.00 0.00 C ATOM 148 C ALA A 11 0.079 -4.817 -5.352 1.00 0.00 C ATOM 149 O ALA A 11 -0.720 -3.949 -5.060 1.00 0.00 O ATOM 150 CB ALA A 11 -0.560 -7.202 -5.225 1.00 0.00 C ATOM 0 H ALA A 11 1.038 -7.250 -7.077 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.312 -5.788 -6.627 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.297 -6.953 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.913 -8.055 -5.804 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.387 -7.454 -4.747 1.00 0.00 H new ATOM 156 N ALA A 12 1.366 -4.767 -5.036 1.00 0.00 N ATOM 157 CA ALA A 12 1.939 -3.649 -4.313 1.00 0.00 C ATOM 158 C ALA A 12 1.702 -2.344 -5.059 1.00 0.00 C ATOM 159 O ALA A 12 1.266 -1.380 -4.470 1.00 0.00 O ATOM 160 CB ALA A 12 3.413 -3.867 -4.068 1.00 0.00 C ATOM 0 H ALA A 12 2.036 -5.498 -5.274 1.00 0.00 H new ATOM 0 HA ALA A 12 1.442 -3.581 -3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.821 -3.015 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.554 -4.774 -3.480 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.929 -3.969 -5.023 1.00 0.00 H new ATOM 166 N LYS A 13 1.952 -2.353 -6.372 1.00 0.00 N ATOM 167 CA LYS A 13 1.727 -1.201 -7.252 1.00 0.00 C ATOM 168 C LYS A 13 0.282 -0.742 -7.160 1.00 0.00 C ATOM 169 O LYS A 13 -0.016 0.469 -7.113 1.00 0.00 O ATOM 170 CB LYS A 13 2.023 -1.617 -8.692 1.00 0.00 C ATOM 171 CG LYS A 13 1.708 -0.556 -9.746 1.00 0.00 C ATOM 172 CD LYS A 13 1.906 -1.088 -11.163 1.00 0.00 C ATOM 173 CE LYS A 13 3.372 -1.305 -11.497 1.00 0.00 C ATOM 174 NZ LYS A 13 4.114 -0.031 -11.556 1.00 0.00 N ATOM 0 H LYS A 13 2.321 -3.170 -6.860 1.00 0.00 H new ATOM 0 HA LYS A 13 2.381 -0.384 -6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.077 -1.883 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.450 -2.516 -8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.679 -0.218 -9.625 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.349 0.312 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.367 -2.029 -11.274 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.473 -0.386 -11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.824 -1.954 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.455 -1.819 -12.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.036 -0.187 -12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.569 0.663 -12.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.261 0.330 -10.592 1.00 0.00 H new ATOM 188 N LYS A 14 -0.588 -1.711 -7.144 1.00 0.00 N ATOM 189 CA LYS A 14 -2.009 -1.492 -7.042 1.00 0.00 C ATOM 190 C LYS A 14 -2.348 -0.837 -5.711 1.00 0.00 C ATOM 191 O LYS A 14 -3.065 0.175 -5.678 1.00 0.00 O ATOM 192 CB LYS A 14 -2.745 -2.819 -7.245 1.00 0.00 C ATOM 193 CG LYS A 14 -2.532 -3.395 -8.637 1.00 0.00 C ATOM 194 CD LYS A 14 -3.227 -2.547 -9.679 1.00 0.00 C ATOM 195 CE LYS A 14 -2.681 -2.762 -11.066 1.00 0.00 C ATOM 196 NZ LYS A 14 -3.326 -1.859 -12.037 1.00 0.00 N ATOM 0 H LYS A 14 -0.328 -2.696 -7.202 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.338 -0.807 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.403 -3.538 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.811 -2.669 -7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.465 -3.446 -8.855 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.915 -4.415 -8.676 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.293 -2.775 -9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.124 -1.495 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.604 -2.592 -11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.841 -3.798 -11.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.931 -2.028 -12.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.350 -2.039 -12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.152 -0.871 -11.761 1.00 0.00 H new ATOM 210 N VAL A 15 -1.803 -1.399 -4.631 1.00 0.00 N ATOM 211 CA VAL A 15 -1.931 -0.830 -3.279 1.00 0.00 C ATOM 212 C VAL A 15 -1.448 0.618 -3.282 1.00 0.00 C ATOM 213 O VAL A 15 -2.130 1.510 -2.761 1.00 0.00 O ATOM 214 CB VAL A 15 -1.070 -1.606 -2.234 1.00 0.00 C ATOM 215 CG1 VAL A 15 -1.216 -1.012 -0.836 1.00 0.00 C ATOM 216 CG2 VAL A 15 -1.399 -3.082 -2.222 1.00 0.00 C ATOM 0 H VAL A 15 -1.260 -2.262 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.983 -0.902 -3.003 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.029 -1.498 -2.540 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.603 -1.577 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.890 0.028 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.260 -1.062 -0.527 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.779 -3.587 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.450 -3.218 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.206 -3.506 -3.207 1.00 0.00 H new ATOM 226 N ILE A 16 -0.282 0.831 -3.901 1.00 0.00 N ATOM 227 CA ILE A 16 0.366 2.133 -3.981 1.00 0.00 C ATOM 228 C ILE A 16 -0.565 3.184 -4.550 1.00 0.00 C ATOM 229 O ILE A 16 -0.745 4.208 -3.952 1.00 0.00 O ATOM 230 CB ILE A 16 1.686 2.094 -4.817 1.00 0.00 C ATOM 231 CG1 ILE A 16 2.746 1.196 -4.158 1.00 0.00 C ATOM 232 CG2 ILE A 16 2.249 3.496 -5.059 1.00 0.00 C ATOM 233 CD1 ILE A 16 3.192 1.637 -2.777 1.00 0.00 C ATOM 0 H ILE A 16 0.241 0.089 -4.366 1.00 0.00 H new ATOM 0 HA ILE A 16 0.623 2.403 -2.957 1.00 0.00 H new ATOM 0 HB ILE A 16 1.430 1.664 -5.786 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.350 0.183 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 16 3.619 1.153 -4.809 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.166 3.424 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.517 4.093 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.465 3.972 -4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.940 0.941 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.623 2.636 -2.836 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.334 1.651 -2.105 1.00 0.00 H new ATOM 245 N ASP A 17 -1.181 2.901 -5.678 1.00 0.00 N ATOM 246 CA ASP A 17 -2.067 3.876 -6.340 1.00 0.00 C ATOM 247 C ASP A 17 -3.269 4.221 -5.450 1.00 0.00 C ATOM 248 O ASP A 17 -3.677 5.403 -5.326 1.00 0.00 O ATOM 249 CB ASP A 17 -2.530 3.341 -7.700 1.00 0.00 C ATOM 250 CG ASP A 17 -3.432 4.302 -8.459 1.00 0.00 C ATOM 251 OD1 ASP A 17 -2.923 5.262 -9.070 1.00 0.00 O ATOM 252 OD2 ASP A 17 -4.663 4.087 -8.489 1.00 0.00 O ATOM 0 H ASP A 17 -1.095 2.010 -6.167 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.502 4.793 -6.505 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.655 3.119 -8.310 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.060 2.401 -7.549 1.00 0.00 H new ATOM 257 N ILE A 18 -3.788 3.208 -4.783 1.00 0.00 N ATOM 258 CA ILE A 18 -4.926 3.373 -3.898 1.00 0.00 C ATOM 259 C ILE A 18 -4.541 4.238 -2.695 1.00 0.00 C ATOM 260 O ILE A 18 -5.152 5.275 -2.461 1.00 0.00 O ATOM 261 CB ILE A 18 -5.475 2.017 -3.407 1.00 0.00 C ATOM 262 CG1 ILE A 18 -5.836 1.136 -4.601 1.00 0.00 C ATOM 263 CG2 ILE A 18 -6.711 2.243 -2.541 1.00 0.00 C ATOM 264 CD1 ILE A 18 -6.198 -0.283 -4.233 1.00 0.00 C ATOM 0 H ILE A 18 -3.435 2.252 -4.838 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.712 3.867 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.708 1.517 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.674 1.587 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.994 1.117 -5.293 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.095 1.283 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.445 2.857 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.477 2.751 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.441 -0.842 -5.136 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.354 -0.755 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.061 -0.277 -3.567 1.00 0.00 H new ATOM 276 N ILE A 19 -3.502 3.833 -1.966 1.00 0.00 N ATOM 277 CA ILE A 19 -3.045 4.600 -0.792 1.00 0.00 C ATOM 278 C ILE A 19 -2.530 5.995 -1.197 1.00 0.00 C ATOM 279 O ILE A 19 -2.558 6.932 -0.394 1.00 0.00 O ATOM 280 CB ILE A 19 -1.921 3.868 0.013 1.00 0.00 C ATOM 281 CG1 ILE A 19 -0.662 3.699 -0.852 1.00 0.00 C ATOM 282 CG2 ILE A 19 -2.414 2.515 0.522 1.00 0.00 C ATOM 283 CD1 ILE A 19 0.513 3.078 -0.150 1.00 0.00 C ATOM 0 H ILE A 19 -2.962 2.989 -2.158 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.921 4.698 -0.150 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.663 4.481 0.877 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.914 3.086 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.365 4.677 -1.229 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.616 2.023 1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.274 2.663 1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.704 1.892 -0.324 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.351 3.001 -0.842 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.799 3.699 0.699 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.242 2.083 0.203 1.00 0.00 H new ATOM 295 N ASN A 20 -2.084 6.114 -2.446 1.00 0.00 N ATOM 296 CA ASN A 20 -1.497 7.344 -2.966 1.00 0.00 C ATOM 297 C ASN A 20 -2.542 8.434 -3.077 1.00 0.00 C ATOM 298 O ASN A 20 -2.234 9.602 -2.852 1.00 0.00 O ATOM 299 CB ASN A 20 -0.829 7.101 -4.333 1.00 0.00 C ATOM 300 CG ASN A 20 0.215 8.139 -4.715 1.00 0.00 C ATOM 301 OD1 ASN A 20 0.128 9.310 -4.359 1.00 0.00 O ATOM 302 ND2 ASN A 20 1.227 7.704 -5.430 1.00 0.00 N ATOM 0 H ASN A 20 -2.120 5.356 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.730 7.671 -2.263 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -0.360 6.117 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.601 7.079 -5.102 1.00 0.00 H new ATOM 0 HD21 ASN A 20 1.970 8.346 -5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.270 6.724 -5.710 1.00 0.00 H new ATOM 309 N THR A 21 -3.781 8.063 -3.429 1.00 0.00 N ATOM 310 CA THR A 21 -4.863 9.053 -3.477 1.00 0.00 C ATOM 311 C THR A 21 -4.999 9.746 -2.115 1.00 0.00 C ATOM 312 O THR A 21 -5.051 10.976 -2.031 1.00 0.00 O ATOM 313 CB THR A 21 -6.222 8.441 -3.901 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.615 7.379 -3.006 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.151 7.916 -5.318 1.00 0.00 C ATOM 0 H THR A 21 -4.053 7.112 -3.678 1.00 0.00 H new ATOM 0 HA THR A 21 -4.593 9.783 -4.241 1.00 0.00 H new ATOM 0 HB THR A 21 -6.971 9.231 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.063 6.587 -3.176 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.115 7.490 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.905 8.733 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.382 7.146 -5.383 1.00 0.00 H new ATOM 323 N GLY A 22 -5.001 8.933 -1.061 1.00 0.00 N ATOM 324 CA GLY A 22 -5.011 9.426 0.296 1.00 0.00 C ATOM 325 C GLY A 22 -6.210 10.274 0.614 1.00 0.00 C ATOM 326 O GLY A 22 -6.080 11.301 1.275 1.00 0.00 O ATOM 0 H GLY A 22 -4.996 7.916 -1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.981 8.580 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.107 10.009 0.470 1.00 0.00 H new ATOM 330 N SER A 23 -7.369 9.869 0.155 1.00 0.00 N ATOM 331 CA SER A 23 -8.545 10.647 0.388 1.00 0.00 C ATOM 332 C SER A 23 -9.272 10.168 1.648 1.00 0.00 C ATOM 333 O SER A 23 -8.997 10.649 2.756 1.00 0.00 O ATOM 334 CB SER A 23 -9.446 10.618 -0.839 1.00 0.00 C ATOM 335 OG SER A 23 -8.721 10.994 -2.007 1.00 0.00 O ATOM 0 H SER A 23 -7.516 9.011 -0.377 1.00 0.00 H new ATOM 0 HA SER A 23 -8.257 11.684 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.860 9.618 -0.968 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.288 11.295 -0.694 1.00 0.00 H new ATOM 0 HG SER A 23 -9.317 10.967 -2.785 1.00 0.00 H new ATOM 341 N ALA A 24 -10.159 9.216 1.501 1.00 0.00 N ATOM 342 CA ALA A 24 -10.876 8.662 2.628 1.00 0.00 C ATOM 343 C ALA A 24 -10.159 7.427 3.149 1.00 0.00 C ATOM 344 O ALA A 24 -10.012 6.451 2.413 1.00 0.00 O ATOM 345 CB ALA A 24 -12.289 8.333 2.228 1.00 0.00 C ATOM 0 H ALA A 24 -10.406 8.803 0.602 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.909 9.401 3.429 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.822 7.916 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.793 9.240 1.893 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.277 7.604 1.417 1.00 0.00 H new ATOM 351 N VAL A 25 -9.744 7.455 4.414 1.00 0.00 N ATOM 352 CA VAL A 25 -8.978 6.343 5.019 1.00 0.00 C ATOM 353 C VAL A 25 -9.735 5.021 4.907 1.00 0.00 C ATOM 354 O VAL A 25 -9.190 4.029 4.402 1.00 0.00 O ATOM 355 CB VAL A 25 -8.613 6.607 6.514 1.00 0.00 C ATOM 356 CG1 VAL A 25 -7.763 5.467 7.090 1.00 0.00 C ATOM 357 CG2 VAL A 25 -7.893 7.938 6.674 1.00 0.00 C ATOM 0 H VAL A 25 -9.921 8.233 5.049 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.049 6.277 4.453 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.546 6.651 7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.526 5.681 8.132 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.319 4.532 7.029 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.839 5.377 6.518 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.651 8.097 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.974 7.928 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.538 8.745 6.325 1.00 0.00 H new ATOM 367 N ALA A 26 -11.000 5.037 5.308 1.00 0.00 N ATOM 368 CA ALA A 26 -11.845 3.849 5.279 1.00 0.00 C ATOM 369 C ALA A 26 -12.027 3.335 3.858 1.00 0.00 C ATOM 370 O ALA A 26 -12.164 2.121 3.638 1.00 0.00 O ATOM 371 CB ALA A 26 -13.199 4.135 5.911 1.00 0.00 C ATOM 0 H ALA A 26 -11.468 5.871 5.662 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.344 3.074 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -13.813 3.235 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.059 4.442 6.948 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -13.696 4.934 5.360 1.00 0.00 H new ATOM 377 N THR A 27 -11.993 4.243 2.902 1.00 0.00 N ATOM 378 CA THR A 27 -12.156 3.894 1.521 1.00 0.00 C ATOM 379 C THR A 27 -10.896 3.224 0.985 1.00 0.00 C ATOM 380 O THR A 27 -10.982 2.214 0.296 1.00 0.00 O ATOM 381 CB THR A 27 -12.512 5.141 0.708 1.00 0.00 C ATOM 382 OG1 THR A 27 -13.707 5.710 1.265 1.00 0.00 O ATOM 383 CG2 THR A 27 -12.751 4.814 -0.750 1.00 0.00 C ATOM 0 H THR A 27 -11.851 5.239 3.069 1.00 0.00 H new ATOM 0 HA THR A 27 -12.974 3.179 1.428 1.00 0.00 H new ATOM 0 HB THR A 27 -11.677 5.840 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.043 6.413 0.670 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.001 5.726 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.850 4.374 -1.177 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.575 4.105 -0.834 1.00 0.00 H new ATOM 391 N ILE A 28 -9.737 3.747 1.362 1.00 0.00 N ATOM 392 CA ILE A 28 -8.469 3.198 0.936 1.00 0.00 C ATOM 393 C ILE A 28 -8.353 1.772 1.409 1.00 0.00 C ATOM 394 O ILE A 28 -8.162 0.870 0.602 1.00 0.00 O ATOM 395 CB ILE A 28 -7.303 4.041 1.487 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.396 5.459 0.938 1.00 0.00 C ATOM 397 CG2 ILE A 28 -5.953 3.416 1.148 1.00 0.00 C ATOM 398 CD1 ILE A 28 -6.467 6.424 1.604 1.00 0.00 C ATOM 0 H ILE A 28 -9.656 4.562 1.970 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.420 3.220 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.380 4.071 2.574 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.181 5.440 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.419 5.817 1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.153 4.037 1.552 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.894 2.419 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.846 3.345 0.066 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.590 7.412 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.695 6.473 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.438 6.091 1.469 1.00 0.00 H new ATOM 410 N ILE A 29 -8.545 1.572 2.703 1.00 0.00 N ATOM 411 CA ILE A 29 -8.493 0.236 3.308 1.00 0.00 C ATOM 412 C ILE A 29 -9.454 -0.722 2.574 1.00 0.00 C ATOM 413 O ILE A 29 -9.099 -1.869 2.251 1.00 0.00 O ATOM 414 CB ILE A 29 -8.900 0.297 4.800 1.00 0.00 C ATOM 415 CG1 ILE A 29 -8.023 1.294 5.549 1.00 0.00 C ATOM 416 CG2 ILE A 29 -8.788 -1.088 5.446 1.00 0.00 C ATOM 417 CD1 ILE A 29 -8.541 1.635 6.919 1.00 0.00 C ATOM 0 H ILE A 29 -8.741 2.322 3.367 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.470 -0.129 3.224 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.937 0.626 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.017 0.884 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.942 2.208 4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.078 -1.025 6.495 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.447 -1.785 4.928 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.759 -1.441 5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.869 2.349 7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.535 2.074 6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.595 0.729 7.523 1.00 0.00 H new ATOM 429 N ALA A 30 -10.640 -0.215 2.252 1.00 0.00 N ATOM 430 CA ALA A 30 -11.663 -0.998 1.595 1.00 0.00 C ATOM 431 C ALA A 30 -11.251 -1.370 0.183 1.00 0.00 C ATOM 432 O ALA A 30 -11.493 -2.500 -0.267 1.00 0.00 O ATOM 433 CB ALA A 30 -12.991 -0.254 1.576 1.00 0.00 C ATOM 0 H ALA A 30 -10.912 0.750 2.442 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.788 -1.917 2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.743 -0.865 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.309 -0.051 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -12.873 0.687 1.039 1.00 0.00 H new ATOM 439 N LEU A 31 -10.617 -0.445 -0.505 1.00 0.00 N ATOM 440 CA LEU A 31 -10.213 -0.672 -1.872 1.00 0.00 C ATOM 441 C LEU A 31 -9.014 -1.594 -1.947 1.00 0.00 C ATOM 442 O LEU A 31 -8.973 -2.488 -2.792 1.00 0.00 O ATOM 443 CB LEU A 31 -9.921 0.641 -2.592 1.00 0.00 C ATOM 444 CG LEU A 31 -11.091 1.616 -2.753 1.00 0.00 C ATOM 445 CD1 LEU A 31 -10.641 2.864 -3.486 1.00 0.00 C ATOM 446 CD2 LEU A 31 -12.257 0.960 -3.479 1.00 0.00 C ATOM 0 H LEU A 31 -10.370 0.474 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.048 -1.158 -2.377 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.124 1.153 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.536 0.406 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.434 1.900 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.484 3.547 -3.593 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.848 3.352 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.268 2.591 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -13.073 1.676 -3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.934 0.638 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.600 0.096 -2.910 1.00 0.00 H new ATOM 458 N VAL A 32 -8.056 -1.411 -1.045 1.00 0.00 N ATOM 459 CA VAL A 32 -6.858 -2.235 -1.057 1.00 0.00 C ATOM 460 C VAL A 32 -7.228 -3.682 -0.717 1.00 0.00 C ATOM 461 O VAL A 32 -6.771 -4.629 -1.374 1.00 0.00 O ATOM 462 CB VAL A 32 -5.758 -1.743 -0.077 1.00 0.00 C ATOM 463 CG1 VAL A 32 -4.484 -2.478 -0.341 1.00 0.00 C ATOM 464 CG2 VAL A 32 -5.503 -0.259 -0.204 1.00 0.00 C ATOM 0 H VAL A 32 -8.086 -0.708 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.441 -2.164 -2.062 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.113 -1.940 0.935 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.714 -2.131 0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.644 -3.547 -0.198 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.163 -2.294 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.726 0.038 0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.178 -0.031 -1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.420 0.288 0.015 1.00 0.00 H new ATOM 474 N THR A 33 -8.108 -3.846 0.266 1.00 0.00 N ATOM 475 CA THR A 33 -8.580 -5.165 0.666 1.00 0.00 C ATOM 476 C THR A 33 -9.371 -5.828 -0.485 1.00 0.00 C ATOM 477 O THR A 33 -9.346 -7.049 -0.657 1.00 0.00 O ATOM 478 CB THR A 33 -9.456 -5.079 1.949 1.00 0.00 C ATOM 479 OG1 THR A 33 -8.701 -4.451 3.003 1.00 0.00 O ATOM 480 CG2 THR A 33 -9.900 -6.466 2.413 1.00 0.00 C ATOM 0 H THR A 33 -8.510 -3.077 0.802 1.00 0.00 H new ATOM 0 HA THR A 33 -7.710 -5.781 0.891 1.00 0.00 H new ATOM 0 HB THR A 33 -10.344 -4.492 1.714 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.609 -3.494 2.814 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.510 -6.371 3.311 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.484 -6.943 1.626 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.023 -7.074 2.633 1.00 0.00 H new ATOM 488 N ALA A 34 -10.018 -5.015 -1.297 1.00 0.00 N ATOM 489 CA ALA A 34 -10.785 -5.513 -2.422 1.00 0.00 C ATOM 490 C ALA A 34 -9.878 -5.963 -3.564 1.00 0.00 C ATOM 491 O ALA A 34 -10.254 -6.812 -4.374 1.00 0.00 O ATOM 492 CB ALA A 34 -11.770 -4.466 -2.904 1.00 0.00 C ATOM 0 H ALA A 34 -10.027 -4.000 -1.197 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.343 -6.384 -2.080 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.335 -4.860 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.455 -4.212 -2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -11.228 -3.573 -3.215 1.00 0.00 H new ATOM 498 N VAL A 35 -8.689 -5.411 -3.624 1.00 0.00 N ATOM 499 CA VAL A 35 -7.759 -5.757 -4.673 1.00 0.00 C ATOM 500 C VAL A 35 -6.909 -6.945 -4.282 1.00 0.00 C ATOM 501 O VAL A 35 -6.826 -7.932 -5.020 1.00 0.00 O ATOM 502 CB VAL A 35 -6.842 -4.565 -5.050 1.00 0.00 C ATOM 503 CG1 VAL A 35 -5.804 -4.968 -6.093 1.00 0.00 C ATOM 504 CG2 VAL A 35 -7.673 -3.418 -5.567 1.00 0.00 C ATOM 0 H VAL A 35 -8.343 -4.720 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.358 -6.019 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.311 -4.252 -4.151 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.178 -4.109 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.182 -5.770 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.309 -5.313 -6.995 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.021 -2.585 -5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.226 -3.738 -6.450 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.375 -3.100 -4.796 1.00 0.00 H new ATOM 514 N VAL A 36 -6.288 -6.876 -3.130 1.00 0.00 N ATOM 515 CA VAL A 36 -5.364 -7.929 -2.781 1.00 0.00 C ATOM 516 C VAL A 36 -6.037 -9.076 -2.051 1.00 0.00 C ATOM 517 O VAL A 36 -5.659 -10.229 -2.236 1.00 0.00 O ATOM 518 CB VAL A 36 -4.150 -7.412 -1.948 1.00 0.00 C ATOM 519 CG1 VAL A 36 -3.418 -6.311 -2.694 1.00 0.00 C ATOM 520 CG2 VAL A 36 -4.571 -6.936 -0.557 1.00 0.00 C ATOM 0 H VAL A 36 -6.398 -6.132 -2.440 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.988 -8.304 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.470 -8.252 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.575 -5.964 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.053 -6.697 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -4.099 -5.480 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.695 -6.585 -0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -5.289 -6.122 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.030 -7.762 -0.013 1.00 0.00 H new ATOM 530 N GLY A 37 -7.094 -8.780 -1.317 1.00 0.00 N ATOM 531 CA GLY A 37 -7.717 -9.787 -0.493 1.00 0.00 C ATOM 532 C GLY A 37 -6.858 -10.140 0.722 1.00 0.00 C ATOM 533 O GLY A 37 -5.656 -9.824 0.773 1.00 0.00 O ATOM 0 H GLY A 37 -7.532 -7.860 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.691 -9.430 -0.158 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.893 -10.684 -1.087 1.00 0.00 H new ATOM 537 N GLY A 38 -7.466 -10.715 1.719 1.00 0.00 N ATOM 538 CA GLY A 38 -6.720 -11.182 2.863 1.00 0.00 C ATOM 539 C GLY A 38 -6.675 -10.186 3.981 1.00 0.00 C ATOM 540 O GLY A 38 -6.082 -10.437 5.018 1.00 0.00 O ATOM 0 H GLY A 38 -8.472 -10.874 1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.166 -12.108 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.702 -11.418 2.554 1.00 0.00 H new ATOM 544 N GLY A 39 -7.220 -9.018 3.727 1.00 0.00 N ATOM 545 CA GLY A 39 -7.316 -7.951 4.737 1.00 0.00 C ATOM 546 C GLY A 39 -5.967 -7.512 5.287 1.00 0.00 C ATOM 547 O GLY A 39 -5.894 -6.901 6.344 1.00 0.00 O ATOM 0 H GLY A 39 -7.613 -8.766 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.818 -7.089 4.297 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.940 -8.297 5.561 1.00 0.00 H new ATOM 551 N LEU A 40 -4.922 -7.904 4.586 1.00 0.00 N ATOM 552 CA LEU A 40 -3.537 -7.593 4.925 1.00 0.00 C ATOM 553 C LEU A 40 -3.313 -6.091 5.166 1.00 0.00 C ATOM 554 O LEU A 40 -2.818 -5.678 6.233 1.00 0.00 O ATOM 555 CB LEU A 40 -2.616 -8.082 3.804 1.00 0.00 C ATOM 556 CG LEU A 40 -2.638 -9.582 3.484 1.00 0.00 C ATOM 557 CD1 LEU A 40 -1.707 -9.882 2.327 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.239 -10.404 4.694 1.00 0.00 C ATOM 0 H LEU A 40 -5.010 -8.465 3.738 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.304 -8.106 5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.873 -7.539 2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.594 -7.806 4.062 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.657 -9.853 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.731 -10.950 2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.028 -9.324 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.691 -9.588 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.263 -11.463 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.231 -10.129 5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.935 -10.212 5.510 1.00 0.00 H new ATOM 570 N ILE A 41 -3.667 -5.281 4.195 1.00 0.00 N ATOM 571 CA ILE A 41 -3.470 -3.864 4.318 1.00 0.00 C ATOM 572 C ILE A 41 -4.584 -3.250 5.144 1.00 0.00 C ATOM 573 O ILE A 41 -5.687 -2.992 4.654 1.00 0.00 O ATOM 574 CB ILE A 41 -3.311 -3.108 2.950 1.00 0.00 C ATOM 575 CG1 ILE A 41 -2.121 -3.640 2.125 1.00 0.00 C ATOM 576 CG2 ILE A 41 -3.136 -1.611 3.173 1.00 0.00 C ATOM 577 CD1 ILE A 41 -2.373 -4.940 1.404 1.00 0.00 C ATOM 0 H ILE A 41 -4.090 -5.582 3.317 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.515 -3.739 4.828 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.227 -3.290 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.841 -2.884 1.391 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.267 -3.771 2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.028 -1.110 2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.009 -1.216 3.692 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.245 -1.435 3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.478 -5.230 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.621 -5.716 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.203 -4.815 0.708 1.00 0.00 H new ATOM 589 N THR A 42 -4.295 -3.090 6.395 1.00 0.00 N ATOM 590 CA THR A 42 -5.183 -2.488 7.336 1.00 0.00 C ATOM 591 C THR A 42 -4.815 -1.015 7.495 1.00 0.00 C ATOM 592 O THR A 42 -3.863 -0.550 6.855 1.00 0.00 O ATOM 593 CB THR A 42 -5.001 -3.196 8.682 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.586 -3.285 8.963 1.00 0.00 O ATOM 595 CG2 THR A 42 -5.603 -4.589 8.654 1.00 0.00 C ATOM 0 H THR A 42 -3.407 -3.384 6.802 1.00 0.00 H new ATOM 0 HA THR A 42 -6.215 -2.573 6.996 1.00 0.00 H new ATOM 0 HB THR A 42 -5.512 -2.625 9.457 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.451 -3.735 9.823 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.459 -5.067 9.623 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.669 -4.520 8.438 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.114 -5.181 7.881 1.00 0.00 H new ATOM 603 N ALA A 43 -5.537 -0.294 8.354 1.00 0.00 N ATOM 604 CA ALA A 43 -5.286 1.120 8.636 1.00 0.00 C ATOM 605 C ALA A 43 -3.834 1.364 9.032 1.00 0.00 C ATOM 606 O ALA A 43 -3.243 2.382 8.659 1.00 0.00 O ATOM 607 CB ALA A 43 -6.215 1.607 9.738 1.00 0.00 C ATOM 0 H ALA A 43 -6.321 -0.680 8.879 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.482 1.681 7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.020 2.660 9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.251 1.484 9.421 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.041 1.026 10.644 1.00 0.00 H new ATOM 613 N GLY A 44 -3.265 0.412 9.756 1.00 0.00 N ATOM 614 CA GLY A 44 -1.892 0.499 10.190 1.00 0.00 C ATOM 615 C GLY A 44 -0.929 0.356 9.037 1.00 0.00 C ATOM 616 O GLY A 44 0.099 1.044 8.982 1.00 0.00 O ATOM 0 H GLY A 44 -3.746 -0.437 10.055 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.727 1.456 10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.694 -0.279 10.927 1.00 0.00 H new ATOM 620 N ILE A 45 -1.264 -0.506 8.092 1.00 0.00 N ATOM 621 CA ILE A 45 -0.421 -0.703 6.938 1.00 0.00 C ATOM 622 C ILE A 45 -0.550 0.505 6.021 1.00 0.00 C ATOM 623 O ILE A 45 0.448 1.009 5.520 1.00 0.00 O ATOM 624 CB ILE A 45 -0.761 -2.017 6.175 1.00 0.00 C ATOM 625 CG1 ILE A 45 -0.626 -3.239 7.104 1.00 0.00 C ATOM 626 CG2 ILE A 45 0.133 -2.188 4.944 1.00 0.00 C ATOM 627 CD1 ILE A 45 0.765 -3.440 7.685 1.00 0.00 C ATOM 0 H ILE A 45 -2.110 -1.075 8.106 1.00 0.00 H new ATOM 0 HA ILE A 45 0.610 -0.803 7.278 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.796 -1.946 5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.337 -3.136 7.924 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.907 -4.134 6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.127 -3.114 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.013 -1.345 4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.177 -2.227 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.768 -4.322 8.326 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.481 -3.578 6.875 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.044 -2.565 8.271 1.00 0.00 H new ATOM 639 N VAL A 46 -1.786 0.992 5.858 1.00 0.00 N ATOM 640 CA VAL A 46 -2.066 2.193 5.066 1.00 0.00 C ATOM 641 C VAL A 46 -1.263 3.377 5.623 1.00 0.00 C ATOM 642 O VAL A 46 -0.575 4.074 4.879 1.00 0.00 O ATOM 643 CB VAL A 46 -3.601 2.543 5.056 1.00 0.00 C ATOM 644 CG1 VAL A 46 -3.888 3.821 4.283 1.00 0.00 C ATOM 645 CG2 VAL A 46 -4.411 1.412 4.461 1.00 0.00 C ATOM 0 H VAL A 46 -2.616 0.566 6.270 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.767 1.993 4.037 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.892 2.693 6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.959 4.025 4.302 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.352 4.652 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.559 3.703 3.251 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.468 1.679 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.087 1.232 3.436 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.263 0.508 5.052 1.00 0.00 H new ATOM 655 N ALA A 47 -1.316 3.548 6.946 1.00 0.00 N ATOM 656 CA ALA A 47 -0.594 4.617 7.638 1.00 0.00 C ATOM 657 C ALA A 47 0.902 4.504 7.401 1.00 0.00 C ATOM 658 O ALA A 47 1.564 5.488 7.045 1.00 0.00 O ATOM 659 CB ALA A 47 -0.876 4.575 9.133 1.00 0.00 C ATOM 0 H ALA A 47 -1.860 2.949 7.567 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.944 5.567 7.234 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.330 5.378 9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.945 4.703 9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.556 3.615 9.537 1.00 0.00 H new ATOM 665 N THR A 48 1.425 3.306 7.578 1.00 0.00 N ATOM 666 CA THR A 48 2.836 3.055 7.403 1.00 0.00 C ATOM 667 C THR A 48 3.263 3.307 5.950 1.00 0.00 C ATOM 668 O THR A 48 4.217 4.048 5.696 1.00 0.00 O ATOM 669 CB THR A 48 3.194 1.612 7.817 1.00 0.00 C ATOM 670 OG1 THR A 48 2.785 1.385 9.179 1.00 0.00 O ATOM 671 CG2 THR A 48 4.689 1.376 7.695 1.00 0.00 C ATOM 0 H THR A 48 0.883 2.484 7.846 1.00 0.00 H new ATOM 0 HA THR A 48 3.377 3.747 8.048 1.00 0.00 H new ATOM 0 HB THR A 48 2.674 0.921 7.154 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.825 1.187 9.204 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.921 0.353 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.999 1.534 6.662 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.221 2.071 8.344 1.00 0.00 H new ATOM 679 N ALA A 49 2.519 2.742 5.017 1.00 0.00 N ATOM 680 CA ALA A 49 2.818 2.854 3.606 1.00 0.00 C ATOM 681 C ALA A 49 2.784 4.310 3.136 1.00 0.00 C ATOM 682 O ALA A 49 3.667 4.737 2.389 1.00 0.00 O ATOM 683 CB ALA A 49 1.885 1.979 2.798 1.00 0.00 C ATOM 0 H ALA A 49 1.686 2.190 5.221 1.00 0.00 H new ATOM 0 HA ALA A 49 3.836 2.498 3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.123 2.075 1.739 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.004 0.940 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.855 2.291 2.968 1.00 0.00 H new ATOM 689 N LYS A 50 1.798 5.082 3.617 1.00 0.00 N ATOM 690 CA LYS A 50 1.719 6.514 3.295 1.00 0.00 C ATOM 691 C LYS A 50 2.949 7.250 3.774 1.00 0.00 C ATOM 692 O LYS A 50 3.435 8.174 3.115 1.00 0.00 O ATOM 693 CB LYS A 50 0.510 7.188 3.921 1.00 0.00 C ATOM 694 CG LYS A 50 -0.820 6.841 3.319 1.00 0.00 C ATOM 695 CD LYS A 50 -1.882 7.695 3.965 1.00 0.00 C ATOM 696 CE LYS A 50 -3.236 7.489 3.348 1.00 0.00 C ATOM 697 NZ LYS A 50 -4.235 8.350 3.990 1.00 0.00 N ATOM 0 H LYS A 50 1.052 4.743 4.224 1.00 0.00 H new ATOM 0 HA LYS A 50 1.637 6.564 2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.485 6.934 4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.646 8.268 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.803 7.010 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.040 5.784 3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.932 7.465 5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.602 8.745 3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.192 7.708 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.531 6.444 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.164 8.192 3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.290 8.122 5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.961 9.346 3.873 1.00 0.00 H new ATOM 711 N SER A 51 3.455 6.836 4.906 1.00 0.00 N ATOM 712 CA SER A 51 4.598 7.459 5.484 1.00 0.00 C ATOM 713 C SER A 51 5.853 7.090 4.697 1.00 0.00 C ATOM 714 O SER A 51 6.689 7.947 4.419 1.00 0.00 O ATOM 715 CB SER A 51 4.703 7.047 6.941 1.00 0.00 C ATOM 716 OG SER A 51 3.463 7.295 7.610 1.00 0.00 O ATOM 0 H SER A 51 3.080 6.057 5.447 1.00 0.00 H new ATOM 0 HA SER A 51 4.497 8.543 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.958 5.990 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.505 7.602 7.427 1.00 0.00 H new ATOM 0 HG SER A 51 2.880 6.513 7.518 1.00 0.00 H new ATOM 722 N LEU A 52 5.945 5.837 4.288 1.00 0.00 N ATOM 723 CA LEU A 52 7.082 5.361 3.525 1.00 0.00 C ATOM 724 C LEU A 52 7.121 6.025 2.152 1.00 0.00 C ATOM 725 O LEU A 52 8.177 6.436 1.698 1.00 0.00 O ATOM 726 CB LEU A 52 7.035 3.849 3.376 1.00 0.00 C ATOM 727 CG LEU A 52 6.943 3.049 4.674 1.00 0.00 C ATOM 728 CD1 LEU A 52 6.747 1.599 4.367 1.00 0.00 C ATOM 729 CD2 LEU A 52 8.177 3.245 5.545 1.00 0.00 C ATOM 0 H LEU A 52 5.238 5.126 4.475 1.00 0.00 H new ATOM 0 HA LEU A 52 7.990 5.627 4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.178 3.592 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.928 3.529 2.838 1.00 0.00 H new ATOM 0 HG LEU A 52 6.084 3.418 5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.682 1.036 5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.826 1.469 3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.590 1.234 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.074 2.660 6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.062 2.915 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.279 4.300 5.799 1.00 0.00 H new ATOM 741 N ILE A 53 5.961 6.168 1.509 1.00 0.00 N ATOM 742 CA ILE A 53 5.896 6.829 0.196 1.00 0.00 C ATOM 743 C ILE A 53 6.146 8.331 0.329 1.00 0.00 C ATOM 744 O ILE A 53 6.522 9.000 -0.638 1.00 0.00 O ATOM 745 CB ILE A 53 4.567 6.576 -0.594 1.00 0.00 C ATOM 746 CG1 ILE A 53 3.362 7.195 0.115 1.00 0.00 C ATOM 747 CG2 ILE A 53 4.350 5.091 -0.800 1.00 0.00 C ATOM 748 CD1 ILE A 53 2.041 7.021 -0.616 1.00 0.00 C ATOM 0 H ILE A 53 5.063 5.842 1.866 1.00 0.00 H new ATOM 0 HA ILE A 53 6.689 6.368 -0.392 1.00 0.00 H new ATOM 0 HB ILE A 53 4.664 7.060 -1.566 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.274 6.753 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.547 8.260 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.423 4.932 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.184 4.677 -1.367 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.287 4.595 0.168 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.243 7.490 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.104 7.489 -1.598 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.827 5.959 -0.733 1.00 0.00 H new ATOM 760 N LYS A 54 5.906 8.848 1.521 1.00 0.00 N ATOM 761 CA LYS A 54 6.106 10.248 1.818 1.00 0.00 C ATOM 762 C LYS A 54 7.603 10.555 1.894 1.00 0.00 C ATOM 763 O LYS A 54 8.083 11.498 1.273 1.00 0.00 O ATOM 764 CB LYS A 54 5.414 10.576 3.146 1.00 0.00 C ATOM 765 CG LYS A 54 5.358 12.047 3.536 1.00 0.00 C ATOM 766 CD LYS A 54 4.598 12.235 4.856 1.00 0.00 C ATOM 767 CE LYS A 54 3.153 11.727 4.764 1.00 0.00 C ATOM 768 NZ LYS A 54 2.420 11.868 6.041 1.00 0.00 N ATOM 0 H LYS A 54 5.565 8.302 2.312 1.00 0.00 H new ATOM 0 HA LYS A 54 5.674 10.864 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.394 10.195 3.103 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.924 10.031 3.941 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.370 12.440 3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.870 12.618 2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.119 11.704 5.653 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.595 13.291 5.125 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.627 12.278 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.158 10.679 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.450 11.511 5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.904 11.322 6.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.389 12.871 6.315 1.00 0.00 H new ATOM 782 N LYS A 55 8.335 9.737 2.626 1.00 0.00 N ATOM 783 CA LYS A 55 9.775 9.945 2.795 1.00 0.00 C ATOM 784 C LYS A 55 10.608 9.274 1.719 1.00 0.00 C ATOM 785 O LYS A 55 11.389 9.927 1.029 1.00 0.00 O ATOM 786 CB LYS A 55 10.259 9.520 4.206 1.00 0.00 C ATOM 787 CG LYS A 55 9.652 8.233 4.739 1.00 0.00 C ATOM 788 CD LYS A 55 10.071 7.942 6.175 1.00 0.00 C ATOM 789 CE LYS A 55 9.542 8.977 7.165 1.00 0.00 C ATOM 790 NZ LYS A 55 9.948 8.667 8.550 1.00 0.00 N ATOM 0 H LYS A 55 7.965 8.922 3.115 1.00 0.00 H new ATOM 0 HA LYS A 55 9.928 11.019 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.343 9.409 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.036 10.325 4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.565 8.299 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.952 7.402 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.710 6.954 6.461 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.159 7.913 6.233 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.911 9.965 6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.454 9.015 7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.570 9.392 9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.574 7.735 8.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.986 8.655 8.613 1.00 0.00 H new ATOM 804 N TYR A 56 10.432 7.994 1.576 1.00 0.00 N ATOM 805 CA TYR A 56 11.253 7.192 0.693 1.00 0.00 C ATOM 806 C TYR A 56 10.678 7.149 -0.720 1.00 0.00 C ATOM 807 O TYR A 56 11.413 7.248 -1.706 1.00 0.00 O ATOM 808 CB TYR A 56 11.384 5.786 1.269 1.00 0.00 C ATOM 809 CG TYR A 56 11.757 5.759 2.739 1.00 0.00 C ATOM 810 CD1 TYR A 56 12.781 6.547 3.242 1.00 0.00 C ATOM 811 CD2 TYR A 56 11.094 4.922 3.612 1.00 0.00 C ATOM 812 CE1 TYR A 56 13.134 6.492 4.570 1.00 0.00 C ATOM 813 CE2 TYR A 56 11.432 4.862 4.940 1.00 0.00 C ATOM 814 CZ TYR A 56 12.456 5.642 5.418 1.00 0.00 C ATOM 815 OH TYR A 56 12.805 5.564 6.747 1.00 0.00 O ATOM 0 H TYR A 56 9.712 7.465 2.068 1.00 0.00 H new ATOM 0 HA TYR A 56 12.240 7.648 0.622 1.00 0.00 H new ATOM 0 HB2 TYR A 56 10.440 5.259 1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.138 5.240 0.702 1.00 0.00 H new ATOM 0 HD1 TYR A 56 13.311 7.216 2.579 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.292 4.301 3.242 1.00 0.00 H new ATOM 0 HE1 TYR A 56 13.936 7.110 4.946 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.895 4.204 5.607 1.00 0.00 H new ATOM 0 HH TYR A 56 12.225 4.917 7.200 1.00 0.00 H new ATOM 825 N GLY A 57 9.385 6.977 -0.822 1.00 0.00 N ATOM 826 CA GLY A 57 8.747 7.005 -2.118 1.00 0.00 C ATOM 827 C GLY A 57 7.900 5.785 -2.399 1.00 0.00 C ATOM 828 O GLY A 57 7.929 4.796 -1.645 1.00 0.00 O ATOM 0 H GLY A 57 8.757 6.818 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.122 7.895 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 57 9.512 7.092 -2.889 1.00 0.00 H new ATOM 832 N ALA A 58 7.155 5.863 -3.487 1.00 0.00 N ATOM 833 CA ALA A 58 6.239 4.821 -3.933 1.00 0.00 C ATOM 834 C ALA A 58 6.949 3.501 -4.192 1.00 0.00 C ATOM 835 O ALA A 58 6.501 2.444 -3.742 1.00 0.00 O ATOM 836 CB ALA A 58 5.501 5.286 -5.181 1.00 0.00 C ATOM 0 H ALA A 58 7.169 6.675 -4.104 1.00 0.00 H new ATOM 0 HA ALA A 58 5.523 4.642 -3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.817 4.504 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.936 6.190 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.221 5.497 -5.972 1.00 0.00 H new ATOM 842 N LYS A 59 8.081 3.571 -4.859 1.00 0.00 N ATOM 843 CA LYS A 59 8.833 2.377 -5.223 1.00 0.00 C ATOM 844 C LYS A 59 9.397 1.684 -3.978 1.00 0.00 C ATOM 845 O LYS A 59 9.567 0.440 -3.951 1.00 0.00 O ATOM 846 CB LYS A 59 9.958 2.695 -6.223 1.00 0.00 C ATOM 847 CG LYS A 59 10.687 1.451 -6.702 1.00 0.00 C ATOM 848 CD LYS A 59 11.809 1.748 -7.664 1.00 0.00 C ATOM 849 CE LYS A 59 12.506 0.457 -8.103 1.00 0.00 C ATOM 850 NZ LYS A 59 11.565 -0.507 -8.738 1.00 0.00 N ATOM 0 H LYS A 59 8.508 4.446 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 59 8.139 1.694 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 59 9.538 3.218 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.673 3.373 -5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.089 0.920 -5.839 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.973 0.783 -7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 59 11.417 2.270 -8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.531 2.414 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.304 0.698 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.974 -0.012 -7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.106 -1.249 -9.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.965 -0.940 -8.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.966 -0.006 -9.425 1.00 0.00 H new ATOM 864 N TYR A 60 9.663 2.460 -2.945 1.00 0.00 N ATOM 865 CA TYR A 60 10.166 1.913 -1.716 1.00 0.00 C ATOM 866 C TYR A 60 9.089 1.076 -1.070 1.00 0.00 C ATOM 867 O TYR A 60 9.319 -0.082 -0.688 1.00 0.00 O ATOM 868 CB TYR A 60 10.615 3.026 -0.749 1.00 0.00 C ATOM 869 CG TYR A 60 11.024 2.497 0.616 1.00 0.00 C ATOM 870 CD1 TYR A 60 10.071 2.254 1.597 1.00 0.00 C ATOM 871 CD2 TYR A 60 12.337 2.195 0.899 1.00 0.00 C ATOM 872 CE1 TYR A 60 10.408 1.719 2.809 1.00 0.00 C ATOM 873 CE2 TYR A 60 12.695 1.671 2.125 1.00 0.00 C ATOM 874 CZ TYR A 60 11.724 1.429 3.074 1.00 0.00 C ATOM 875 OH TYR A 60 12.071 0.873 4.285 1.00 0.00 O ATOM 0 H TYR A 60 9.536 3.472 -2.940 1.00 0.00 H new ATOM 0 HA TYR A 60 11.036 1.296 -1.941 1.00 0.00 H new ATOM 0 HB2 TYR A 60 11.453 3.566 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.803 3.743 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 60 9.037 2.494 1.397 1.00 0.00 H new ATOM 0 HD2 TYR A 60 13.097 2.370 0.152 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.647 1.526 3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 60 13.730 1.452 2.340 1.00 0.00 H new ATOM 0 HH TYR A 60 13.040 0.728 4.313 1.00 0.00 H new ATOM 885 N ALA A 61 7.917 1.661 -0.960 1.00 0.00 N ATOM 886 CA ALA A 61 6.802 1.016 -0.329 1.00 0.00 C ATOM 887 C ALA A 61 6.359 -0.182 -1.116 1.00 0.00 C ATOM 888 O ALA A 61 5.962 -1.158 -0.542 1.00 0.00 O ATOM 889 CB ALA A 61 5.674 1.971 -0.139 1.00 0.00 C ATOM 0 H ALA A 61 7.716 2.599 -1.308 1.00 0.00 H new ATOM 0 HA ALA A 61 7.125 0.673 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.840 1.459 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.001 2.800 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.355 2.354 -1.108 1.00 0.00 H new ATOM 895 N ALA A 62 6.453 -0.103 -2.439 1.00 0.00 N ATOM 896 CA ALA A 62 6.127 -1.231 -3.306 1.00 0.00 C ATOM 897 C ALA A 62 6.967 -2.453 -2.923 1.00 0.00 C ATOM 898 O ALA A 62 6.451 -3.577 -2.824 1.00 0.00 O ATOM 899 CB ALA A 62 6.344 -0.866 -4.768 1.00 0.00 C ATOM 0 H ALA A 62 6.754 0.735 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 62 5.074 -1.478 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.095 -1.721 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.705 -0.023 -5.031 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.388 -0.592 -4.924 1.00 0.00 H new ATOM 905 N ALA A 63 8.245 -2.218 -2.657 1.00 0.00 N ATOM 906 CA ALA A 63 9.143 -3.279 -2.230 1.00 0.00 C ATOM 907 C ALA A 63 8.781 -3.738 -0.815 1.00 0.00 C ATOM 908 O ALA A 63 8.653 -4.935 -0.557 1.00 0.00 O ATOM 909 CB ALA A 63 10.588 -2.807 -2.284 1.00 0.00 C ATOM 0 H ALA A 63 8.682 -1.299 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 63 9.033 -4.124 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.246 -3.613 -1.961 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.839 -2.520 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.715 -1.949 -1.624 1.00 0.00 H new ATOM 915 N TRP A 64 8.558 -2.768 0.067 1.00 0.00 N ATOM 916 CA TRP A 64 8.219 -3.015 1.470 1.00 0.00 C ATOM 917 C TRP A 64 6.935 -3.839 1.590 1.00 0.00 C ATOM 918 O TRP A 64 6.885 -4.830 2.336 1.00 0.00 O ATOM 919 CB TRP A 64 8.080 -1.676 2.219 1.00 0.00 C ATOM 920 CG TRP A 64 7.692 -1.806 3.659 1.00 0.00 C ATOM 921 CD1 TRP A 64 8.531 -1.918 4.716 1.00 0.00 C ATOM 922 CD2 TRP A 64 6.359 -1.827 4.200 1.00 0.00 C ATOM 923 NE1 TRP A 64 7.816 -2.002 5.878 1.00 0.00 N ATOM 924 CE2 TRP A 64 6.480 -1.951 5.591 1.00 0.00 C ATOM 925 CE3 TRP A 64 5.081 -1.751 3.638 1.00 0.00 C ATOM 926 CZ2 TRP A 64 5.372 -2.002 6.434 1.00 0.00 C ATOM 927 CZ3 TRP A 64 3.987 -1.800 4.476 1.00 0.00 C ATOM 928 CH2 TRP A 64 4.135 -1.924 5.854 1.00 0.00 C ATOM 0 H TRP A 64 8.607 -1.778 -0.172 1.00 0.00 H new ATOM 0 HA TRP A 64 9.025 -3.592 1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 64 9.027 -1.141 2.158 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.335 -1.065 1.709 1.00 0.00 H new ATOM 0 HD1 TRP A 64 9.609 -1.938 4.650 1.00 0.00 H new ATOM 0 HE1 TRP A 64 8.216 -2.089 6.812 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.953 -1.656 2.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 5.485 -2.099 7.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.995 -1.741 4.054 1.00 0.00 H new ATOM 0 HH2 TRP A 64 3.255 -1.959 6.479 1.00 0.00 H new TER 939 TRP A 64