USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 466 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 16:sc= 0.742 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -158:sc= 0.268 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.94 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.094) USER MOD Single : A 38 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.689) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 38:sc= 0.942 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -88:sc= 1.04 USER MOD Single : A 57 ASN : amide:sc= -0.839 K(o=-0.84,f=-2.7) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 165:sc= 0.0363 (180deg=-0.0291) USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= -0.0206 (180deg=-0.283) USER MOD Single : A 64 SER OG : rot 35:sc= 0.0238 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.563 0.971 -23.937 1.00 0.00 N ATOM 2 CA GLY A 1 -1.231 -0.083 -22.994 1.00 0.00 C ATOM 3 C GLY A 1 0.011 0.282 -22.179 1.00 0.00 C ATOM 4 O GLY A 1 1.124 -0.110 -22.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.409 0.699 -24.478 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.751 1.853 -23.419 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.767 1.116 -24.590 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.073 -0.254 -22.323 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.057 -1.015 -23.531 1.00 0.00 H new ATOM 8 N SER A 2 -0.221 1.029 -21.110 1.00 0.00 N ATOM 9 CA SER A 2 0.865 1.452 -20.242 1.00 0.00 C ATOM 10 C SER A 2 0.384 1.506 -18.790 1.00 0.00 C ATOM 11 O SER A 2 -0.375 2.399 -18.417 1.00 0.00 O ATOM 12 CB SER A 2 1.414 2.814 -20.671 1.00 0.00 C ATOM 13 OG SER A 2 2.818 2.918 -20.446 1.00 0.00 O ATOM 0 H SER A 2 -1.145 1.352 -20.825 1.00 0.00 H new ATOM 0 HA SER A 2 1.672 0.724 -20.323 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.203 2.973 -21.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.899 3.602 -20.121 1.00 0.00 H new ATOM 0 HG SER A 2 3.131 3.801 -20.734 1.00 0.00 H new ATOM 19 N SER A 3 0.846 0.540 -18.011 1.00 0.00 N ATOM 20 CA SER A 3 0.473 0.466 -16.609 1.00 0.00 C ATOM 21 C SER A 3 1.728 0.389 -15.736 1.00 0.00 C ATOM 22 O SER A 3 2.270 -0.693 -15.518 1.00 0.00 O ATOM 23 CB SER A 3 -0.434 -0.737 -16.342 1.00 0.00 C ATOM 24 OG SER A 3 -1.099 -0.636 -15.086 1.00 0.00 O ATOM 0 H SER A 3 1.476 -0.199 -18.324 1.00 0.00 H new ATOM 0 HA SER A 3 -0.083 1.369 -16.356 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.174 -0.817 -17.138 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.160 -1.651 -16.365 1.00 0.00 H new ATOM 0 HG SER A 3 -1.669 -1.422 -14.954 1.00 0.00 H new ATOM 30 N GLY A 4 2.152 1.551 -15.261 1.00 0.00 N ATOM 31 CA GLY A 4 3.332 1.628 -14.417 1.00 0.00 C ATOM 32 C GLY A 4 4.178 2.854 -14.768 1.00 0.00 C ATOM 33 O GLY A 4 3.869 3.574 -15.716 1.00 0.00 O ATOM 0 H GLY A 4 1.700 2.447 -15.445 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.032 1.676 -13.370 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.929 0.724 -14.536 1.00 0.00 H new ATOM 37 N SER A 5 5.227 3.053 -13.985 1.00 0.00 N ATOM 38 CA SER A 5 6.120 4.179 -14.201 1.00 0.00 C ATOM 39 C SER A 5 7.568 3.692 -14.280 1.00 0.00 C ATOM 40 O SER A 5 8.245 3.908 -15.283 1.00 0.00 O ATOM 41 CB SER A 5 5.970 5.221 -13.091 1.00 0.00 C ATOM 42 OG SER A 5 6.089 6.552 -13.588 1.00 0.00 O ATOM 0 H SER A 5 5.479 2.453 -13.199 1.00 0.00 H new ATOM 0 HA SER A 5 5.851 4.652 -15.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.000 5.100 -12.609 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.729 5.050 -12.328 1.00 0.00 H new ATOM 0 HG SER A 5 5.986 7.188 -12.849 1.00 0.00 H new ATOM 48 N SER A 6 8.000 3.043 -13.208 1.00 0.00 N ATOM 49 CA SER A 6 9.355 2.524 -13.144 1.00 0.00 C ATOM 50 C SER A 6 9.406 1.311 -12.212 1.00 0.00 C ATOM 51 O SER A 6 9.826 0.229 -12.619 1.00 0.00 O ATOM 52 CB SER A 6 10.335 3.599 -12.670 1.00 0.00 C ATOM 53 OG SER A 6 11.463 3.711 -13.534 1.00 0.00 O ATOM 0 H SER A 6 7.435 2.865 -12.377 1.00 0.00 H new ATOM 0 HA SER A 6 9.652 2.217 -14.147 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.822 4.559 -12.617 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.673 3.362 -11.661 1.00 0.00 H new ATOM 0 HG SER A 6 12.064 4.409 -13.199 1.00 0.00 H new ATOM 59 N GLY A 7 8.973 1.533 -10.980 1.00 0.00 N ATOM 60 CA GLY A 7 8.965 0.471 -9.987 1.00 0.00 C ATOM 61 C GLY A 7 7.789 0.633 -9.022 1.00 0.00 C ATOM 62 O GLY A 7 6.719 1.096 -9.414 1.00 0.00 O ATOM 0 H GLY A 7 8.625 2.432 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.901 -0.497 -10.485 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.902 0.482 -9.430 1.00 0.00 H new ATOM 66 N GLY A 8 8.027 0.241 -7.779 1.00 0.00 N ATOM 67 CA GLY A 8 7.001 0.337 -6.755 1.00 0.00 C ATOM 68 C GLY A 8 7.379 -0.487 -5.522 1.00 0.00 C ATOM 69 O GLY A 8 8.250 -1.353 -5.592 1.00 0.00 O ATOM 0 H GLY A 8 8.915 -0.144 -7.458 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.862 1.380 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.050 -0.014 -7.154 1.00 0.00 H new ATOM 73 N GLU A 9 6.705 -0.188 -4.421 1.00 0.00 N ATOM 74 CA GLU A 9 6.959 -0.890 -3.174 1.00 0.00 C ATOM 75 C GLU A 9 5.701 -1.633 -2.718 1.00 0.00 C ATOM 76 O GLU A 9 4.654 -1.021 -2.514 1.00 0.00 O ATOM 77 CB GLU A 9 7.449 0.074 -2.092 1.00 0.00 C ATOM 78 CG GLU A 9 8.920 0.437 -2.307 1.00 0.00 C ATOM 79 CD GLU A 9 9.806 -0.216 -1.245 1.00 0.00 C ATOM 80 OE1 GLU A 9 9.949 -1.456 -1.309 1.00 0.00 O ATOM 81 OE2 GLU A 9 10.321 0.539 -0.393 1.00 0.00 O ATOM 0 H GLU A 9 5.983 0.531 -4.366 1.00 0.00 H new ATOM 0 HA GLU A 9 7.748 -1.622 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.842 0.979 -2.104 1.00 0.00 H new ATOM 0 HB3 GLU A 9 7.323 -0.381 -1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 9 9.237 0.114 -3.299 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.040 1.520 -2.271 1.00 0.00 H new ATOM 88 N GLU A 10 5.847 -2.942 -2.571 1.00 0.00 N ATOM 89 CA GLU A 10 4.736 -3.774 -2.142 1.00 0.00 C ATOM 90 C GLU A 10 4.551 -3.673 -0.627 1.00 0.00 C ATOM 91 O GLU A 10 5.461 -3.994 0.136 1.00 0.00 O ATOM 92 CB GLU A 10 4.942 -5.228 -2.574 1.00 0.00 C ATOM 93 CG GLU A 10 4.789 -5.377 -4.089 1.00 0.00 C ATOM 94 CD GLU A 10 6.142 -5.241 -4.792 1.00 0.00 C ATOM 95 OE1 GLU A 10 6.989 -6.133 -4.569 1.00 0.00 O ATOM 96 OE2 GLU A 10 6.297 -4.249 -5.536 1.00 0.00 O ATOM 0 H GLU A 10 6.717 -3.446 -2.741 1.00 0.00 H new ATOM 0 HA GLU A 10 3.828 -3.411 -2.624 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.933 -5.564 -2.270 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.219 -5.868 -2.067 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.351 -6.348 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.102 -4.619 -4.465 1.00 0.00 H new ATOM 103 N TYR A 11 3.366 -3.227 -0.236 1.00 0.00 N ATOM 104 CA TYR A 11 3.050 -3.080 1.175 1.00 0.00 C ATOM 105 C TYR A 11 1.722 -3.761 1.513 1.00 0.00 C ATOM 106 O TYR A 11 0.804 -3.781 0.694 1.00 0.00 O ATOM 107 CB TYR A 11 2.915 -1.576 1.422 1.00 0.00 C ATOM 108 CG TYR A 11 4.211 -0.902 1.876 1.00 0.00 C ATOM 109 CD1 TYR A 11 5.116 -0.443 0.940 1.00 0.00 C ATOM 110 CD2 TYR A 11 4.476 -0.752 3.222 1.00 0.00 C ATOM 111 CE1 TYR A 11 6.336 0.192 1.368 1.00 0.00 C ATOM 112 CE2 TYR A 11 5.696 -0.117 3.650 1.00 0.00 C ATOM 113 CZ TYR A 11 6.565 0.323 2.702 1.00 0.00 C ATOM 114 OH TYR A 11 7.717 0.923 3.106 1.00 0.00 O ATOM 0 H TYR A 11 2.613 -2.963 -0.872 1.00 0.00 H new ATOM 0 HA TYR A 11 3.824 -3.538 1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.570 -1.097 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.147 -1.410 2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.909 -0.560 -0.114 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.768 -1.111 3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.052 0.556 0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.915 0.007 4.700 1.00 0.00 H new ATOM 0 HH TYR A 11 7.746 0.949 4.085 1.00 0.00 H new ATOM 124 N ILE A 12 1.663 -4.302 2.721 1.00 0.00 N ATOM 125 CA ILE A 12 0.463 -4.983 3.177 1.00 0.00 C ATOM 126 C ILE A 12 -0.323 -4.054 4.105 1.00 0.00 C ATOM 127 O ILE A 12 0.259 -3.387 4.959 1.00 0.00 O ATOM 128 CB ILE A 12 0.819 -6.329 3.811 1.00 0.00 C ATOM 129 CG1 ILE A 12 1.649 -7.185 2.852 1.00 0.00 C ATOM 130 CG2 ILE A 12 -0.438 -7.059 4.289 1.00 0.00 C ATOM 131 CD1 ILE A 12 0.760 -7.841 1.794 1.00 0.00 C ATOM 0 H ILE A 12 2.426 -4.283 3.398 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.187 -5.217 2.334 1.00 0.00 H new ATOM 0 HB ILE A 12 1.436 -6.140 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.403 -6.566 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.181 -7.954 3.413 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.157 -8.013 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.953 -6.449 5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.100 -7.236 3.442 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.375 -8.444 1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.023 -8.478 2.282 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.248 -7.069 1.219 1.00 0.00 H new ATOM 143 N ALA A 13 -1.633 -4.041 3.907 1.00 0.00 N ATOM 144 CA ALA A 13 -2.504 -3.206 4.716 1.00 0.00 C ATOM 145 C ALA A 13 -2.758 -3.892 6.059 1.00 0.00 C ATOM 146 O ALA A 13 -3.519 -4.855 6.135 1.00 0.00 O ATOM 147 CB ALA A 13 -3.799 -2.927 3.950 1.00 0.00 C ATOM 0 H ALA A 13 -2.112 -4.596 3.198 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.032 -2.245 4.921 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.453 -2.301 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.567 -2.413 3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.301 -3.869 3.729 1.00 0.00 H new ATOM 153 N LEU A 14 -2.106 -3.368 7.087 1.00 0.00 N ATOM 154 CA LEU A 14 -2.251 -3.918 8.424 1.00 0.00 C ATOM 155 C LEU A 14 -3.723 -3.856 8.839 1.00 0.00 C ATOM 156 O LEU A 14 -4.264 -4.827 9.365 1.00 0.00 O ATOM 157 CB LEU A 14 -1.307 -3.212 9.400 1.00 0.00 C ATOM 158 CG LEU A 14 0.188 -3.373 9.121 1.00 0.00 C ATOM 159 CD1 LEU A 14 0.990 -2.236 9.756 1.00 0.00 C ATOM 160 CD2 LEU A 14 0.686 -4.747 9.574 1.00 0.00 C ATOM 0 H LEU A 14 -1.476 -2.568 7.021 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.959 -4.968 8.438 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.544 -2.148 9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.511 -3.583 10.404 1.00 0.00 H new ATOM 0 HG LEU A 14 0.342 -3.314 8.044 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.050 -2.375 9.542 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.659 -1.283 9.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.834 -2.239 10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.752 -4.835 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.517 -4.861 10.645 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.145 -5.526 9.036 1.00 0.00 H new ATOM 172 N TYR A 15 -4.328 -2.705 8.586 1.00 0.00 N ATOM 173 CA TYR A 15 -5.726 -2.504 8.927 1.00 0.00 C ATOM 174 C TYR A 15 -6.506 -1.946 7.735 1.00 0.00 C ATOM 175 O TYR A 15 -5.931 -1.305 6.857 1.00 0.00 O ATOM 176 CB TYR A 15 -5.741 -1.473 10.058 1.00 0.00 C ATOM 177 CG TYR A 15 -4.783 -1.795 11.206 1.00 0.00 C ATOM 178 CD1 TYR A 15 -5.199 -2.599 12.247 1.00 0.00 C ATOM 179 CD2 TYR A 15 -3.501 -1.282 11.201 1.00 0.00 C ATOM 180 CE1 TYR A 15 -4.298 -2.903 13.328 1.00 0.00 C ATOM 181 CE2 TYR A 15 -2.600 -1.586 12.281 1.00 0.00 C ATOM 182 CZ TYR A 15 -3.042 -2.381 13.292 1.00 0.00 C ATOM 183 OH TYR A 15 -2.191 -2.667 14.313 1.00 0.00 O ATOM 0 H TYR A 15 -3.876 -1.902 8.149 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.190 -3.447 9.215 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.485 -0.496 9.648 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.754 -1.398 10.454 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.201 -3.001 12.251 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -3.175 -0.653 10.386 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.612 -3.531 14.149 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.595 -1.191 12.289 1.00 0.00 H new ATOM 0 HH TYR A 15 -1.330 -2.228 14.154 1.00 0.00 H new ATOM 193 N PRO A 16 -7.839 -2.218 7.742 1.00 0.00 N ATOM 194 CA PRO A 16 -8.704 -1.751 6.672 1.00 0.00 C ATOM 195 C PRO A 16 -8.974 -0.251 6.801 1.00 0.00 C ATOM 196 O PRO A 16 -9.547 0.198 7.793 1.00 0.00 O ATOM 197 CB PRO A 16 -9.963 -2.594 6.788 1.00 0.00 C ATOM 198 CG PRO A 16 -9.949 -3.174 8.193 1.00 0.00 C ATOM 199 CD PRO A 16 -8.555 -2.975 8.765 1.00 0.00 C ATOM 0 HA PRO A 16 -8.254 -1.866 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -10.855 -1.989 6.624 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.973 -3.386 6.039 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.692 -2.679 8.818 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.205 -4.233 8.171 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.588 -2.431 9.709 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.069 -3.930 8.964 1.00 0.00 H new ATOM 207 N TYR A 17 -8.549 0.484 5.784 1.00 0.00 N ATOM 208 CA TYR A 17 -8.738 1.925 5.771 1.00 0.00 C ATOM 209 C TYR A 17 -9.814 2.328 4.760 1.00 0.00 C ATOM 210 O TYR A 17 -9.665 2.093 3.562 1.00 0.00 O ATOM 211 CB TYR A 17 -7.398 2.522 5.336 1.00 0.00 C ATOM 212 CG TYR A 17 -7.444 4.029 5.074 1.00 0.00 C ATOM 213 CD1 TYR A 17 -7.798 4.502 3.827 1.00 0.00 C ATOM 214 CD2 TYR A 17 -7.130 4.914 6.085 1.00 0.00 C ATOM 215 CE1 TYR A 17 -7.841 5.920 3.581 1.00 0.00 C ATOM 216 CE2 TYR A 17 -7.174 6.332 5.839 1.00 0.00 C ATOM 217 CZ TYR A 17 -7.527 6.765 4.599 1.00 0.00 C ATOM 218 OH TYR A 17 -7.568 8.105 4.366 1.00 0.00 O ATOM 0 H TYR A 17 -8.074 0.109 4.963 1.00 0.00 H new ATOM 0 HA TYR A 17 -9.055 2.279 6.752 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.655 2.320 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.063 2.016 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.043 3.809 3.036 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.851 4.543 7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.116 6.304 2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.932 7.036 6.622 1.00 0.00 H new ATOM 0 HH TYR A 17 -8.069 8.279 3.542 1.00 0.00 H new ATOM 228 N SER A 18 -10.874 2.927 5.281 1.00 0.00 N ATOM 229 CA SER A 18 -11.975 3.365 4.440 1.00 0.00 C ATOM 230 C SER A 18 -12.183 4.873 4.593 1.00 0.00 C ATOM 231 O SER A 18 -12.292 5.378 5.709 1.00 0.00 O ATOM 232 CB SER A 18 -13.263 2.614 4.783 1.00 0.00 C ATOM 233 OG SER A 18 -13.121 1.206 4.617 1.00 0.00 O ATOM 0 H SER A 18 -10.994 3.120 6.275 1.00 0.00 H new ATOM 0 HA SER A 18 -11.722 3.143 3.403 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.546 2.831 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.072 2.974 4.148 1.00 0.00 H new ATOM 0 HG SER A 18 -13.964 0.763 4.848 1.00 0.00 H new ATOM 239 N SER A 19 -12.233 5.550 3.455 1.00 0.00 N ATOM 240 CA SER A 19 -12.426 6.990 3.449 1.00 0.00 C ATOM 241 C SER A 19 -13.326 7.392 2.279 1.00 0.00 C ATOM 242 O SER A 19 -13.607 6.579 1.399 1.00 0.00 O ATOM 243 CB SER A 19 -11.087 7.725 3.365 1.00 0.00 C ATOM 244 OG SER A 19 -11.183 9.065 3.838 1.00 0.00 O ATOM 0 H SER A 19 -12.143 5.128 2.531 1.00 0.00 H new ATOM 0 HA SER A 19 -12.908 7.274 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.341 7.187 3.950 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.740 7.729 2.332 1.00 0.00 H new ATOM 0 HG SER A 19 -10.447 9.596 3.468 1.00 0.00 H new ATOM 250 N VAL A 20 -13.753 8.646 2.306 1.00 0.00 N ATOM 251 CA VAL A 20 -14.616 9.165 1.258 1.00 0.00 C ATOM 252 C VAL A 20 -13.970 10.408 0.641 1.00 0.00 C ATOM 253 O VAL A 20 -14.636 11.422 0.438 1.00 0.00 O ATOM 254 CB VAL A 20 -16.014 9.434 1.817 1.00 0.00 C ATOM 255 CG1 VAL A 20 -16.678 8.135 2.280 1.00 0.00 C ATOM 256 CG2 VAL A 20 -15.964 10.458 2.952 1.00 0.00 C ATOM 0 H VAL A 20 -13.518 9.318 3.037 1.00 0.00 H new ATOM 0 HA VAL A 20 -14.735 8.430 0.462 1.00 0.00 H new ATOM 0 HB VAL A 20 -16.620 9.854 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -17.671 8.354 2.673 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -16.765 7.450 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -16.072 7.675 3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -16.971 10.631 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -15.334 10.079 3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -15.551 11.395 2.579 1.00 0.00 H new ATOM 266 N GLU A 21 -12.680 10.288 0.361 1.00 0.00 N ATOM 267 CA GLU A 21 -11.938 11.389 -0.228 1.00 0.00 C ATOM 268 C GLU A 21 -11.657 11.109 -1.706 1.00 0.00 C ATOM 269 O GLU A 21 -11.376 9.972 -2.084 1.00 0.00 O ATOM 270 CB GLU A 21 -10.638 11.646 0.537 1.00 0.00 C ATOM 271 CG GLU A 21 -10.820 12.761 1.569 1.00 0.00 C ATOM 272 CD GLU A 21 -10.133 14.049 1.111 1.00 0.00 C ATOM 273 OE1 GLU A 21 -8.926 14.185 1.409 1.00 0.00 O ATOM 274 OE2 GLU A 21 -10.828 14.868 0.472 1.00 0.00 O ATOM 0 H GLU A 21 -12.131 9.446 0.531 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.547 12.290 -0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.319 10.731 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.848 11.919 -0.163 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.883 12.947 1.725 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.407 12.445 2.527 1.00 0.00 H new ATOM 281 N PRO A 22 -11.745 12.192 -2.523 1.00 0.00 N ATOM 282 CA PRO A 22 -11.504 12.074 -3.951 1.00 0.00 C ATOM 283 C PRO A 22 -10.009 11.931 -4.245 1.00 0.00 C ATOM 284 O PRO A 22 -9.468 12.645 -5.088 1.00 0.00 O ATOM 285 CB PRO A 22 -12.111 13.329 -4.558 1.00 0.00 C ATOM 286 CG PRO A 22 -12.255 14.318 -3.413 1.00 0.00 C ATOM 287 CD PRO A 22 -12.076 13.553 -2.111 1.00 0.00 C ATOM 0 HA PRO A 22 -11.957 11.181 -4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -11.472 13.731 -5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.078 13.114 -5.013 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -11.510 15.109 -3.496 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -13.234 14.797 -3.443 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -11.282 13.987 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.986 13.575 -1.511 1.00 0.00 H new ATOM 295 N GLY A 23 -9.385 11.004 -3.533 1.00 0.00 N ATOM 296 CA GLY A 23 -7.964 10.758 -3.707 1.00 0.00 C ATOM 297 C GLY A 23 -7.406 9.924 -2.552 1.00 0.00 C ATOM 298 O GLY A 23 -6.310 10.191 -2.061 1.00 0.00 O ATOM 0 H GLY A 23 -9.838 10.414 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.794 10.239 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.431 11.707 -3.765 1.00 0.00 H new ATOM 302 N ASP A 24 -8.186 8.931 -2.151 1.00 0.00 N ATOM 303 CA ASP A 24 -7.784 8.056 -1.063 1.00 0.00 C ATOM 304 C ASP A 24 -7.927 6.599 -1.506 1.00 0.00 C ATOM 305 O ASP A 24 -9.032 6.138 -1.790 1.00 0.00 O ATOM 306 CB ASP A 24 -8.670 8.265 0.167 1.00 0.00 C ATOM 307 CG ASP A 24 -8.287 9.458 1.045 1.00 0.00 C ATOM 308 OD1 ASP A 24 -7.537 10.319 0.537 1.00 0.00 O ATOM 309 OD2 ASP A 24 -8.752 9.482 2.205 1.00 0.00 O ATOM 0 H ASP A 24 -9.095 8.713 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.750 8.289 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.701 8.393 -0.164 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.640 7.361 0.775 1.00 0.00 H new ATOM 314 N LEU A 25 -6.794 5.914 -1.552 1.00 0.00 N ATOM 315 CA LEU A 25 -6.779 4.518 -1.956 1.00 0.00 C ATOM 316 C LEU A 25 -7.452 3.671 -0.874 1.00 0.00 C ATOM 317 O LEU A 25 -6.851 3.387 0.161 1.00 0.00 O ATOM 318 CB LEU A 25 -5.353 4.072 -2.288 1.00 0.00 C ATOM 319 CG LEU A 25 -5.227 2.798 -3.126 1.00 0.00 C ATOM 320 CD1 LEU A 25 -5.727 3.029 -4.554 1.00 0.00 C ATOM 321 CD2 LEU A 25 -3.794 2.264 -3.100 1.00 0.00 C ATOM 0 H LEU A 25 -5.880 6.300 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.353 4.380 -2.872 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.854 4.883 -2.819 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.813 3.923 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.864 2.033 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.626 2.108 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.775 3.328 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.136 3.816 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.732 1.358 -3.703 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.118 3.017 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.509 2.036 -2.073 1.00 0.00 H new ATOM 333 N THR A 26 -8.691 3.291 -1.151 1.00 0.00 N ATOM 334 CA THR A 26 -9.452 2.482 -0.214 1.00 0.00 C ATOM 335 C THR A 26 -9.045 1.012 -0.326 1.00 0.00 C ATOM 336 O THR A 26 -9.048 0.445 -1.418 1.00 0.00 O ATOM 337 CB THR A 26 -10.939 2.723 -0.482 1.00 0.00 C ATOM 338 OG1 THR A 26 -11.023 2.838 -1.900 1.00 0.00 O ATOM 339 CG2 THR A 26 -11.413 4.085 0.031 1.00 0.00 C ATOM 0 H THR A 26 -9.186 3.528 -2.010 1.00 0.00 H new ATOM 0 HA THR A 26 -9.242 2.767 0.817 1.00 0.00 H new ATOM 0 HB THR A 26 -11.525 1.933 -0.011 1.00 0.00 H new ATOM 0 HG1 THR A 26 -11.955 2.994 -2.161 1.00 0.00 H new ATOM 0 HG21 THR A 26 -12.475 4.206 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.252 4.144 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 26 -10.850 4.876 -0.464 1.00 0.00 H new ATOM 347 N PHE A 27 -8.705 0.436 0.817 1.00 0.00 N ATOM 348 CA PHE A 27 -8.297 -0.957 0.862 1.00 0.00 C ATOM 349 C PHE A 27 -8.617 -1.580 2.222 1.00 0.00 C ATOM 350 O PHE A 27 -8.940 -0.870 3.173 1.00 0.00 O ATOM 351 CB PHE A 27 -6.782 -0.987 0.645 1.00 0.00 C ATOM 352 CG PHE A 27 -6.002 -0.062 1.580 1.00 0.00 C ATOM 353 CD1 PHE A 27 -5.802 -0.417 2.878 1.00 0.00 C ATOM 354 CD2 PHE A 27 -5.507 1.117 1.115 1.00 0.00 C ATOM 355 CE1 PHE A 27 -5.078 0.442 3.746 1.00 0.00 C ATOM 356 CE2 PHE A 27 -4.782 1.975 1.983 1.00 0.00 C ATOM 357 CZ PHE A 27 -4.583 1.620 3.280 1.00 0.00 C ATOM 0 H PHE A 27 -8.704 0.910 1.720 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.829 -1.524 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.426 -2.008 0.781 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.567 -0.709 -0.387 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -6.194 -1.353 3.248 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.666 1.400 0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.920 0.160 4.777 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.388 2.910 1.613 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.032 2.273 3.940 1.00 0.00 H new ATOM 367 N THR A 28 -8.517 -2.900 2.271 1.00 0.00 N ATOM 368 CA THR A 28 -8.792 -3.626 3.500 1.00 0.00 C ATOM 369 C THR A 28 -7.508 -4.250 4.049 1.00 0.00 C ATOM 370 O THR A 28 -6.458 -4.183 3.411 1.00 0.00 O ATOM 371 CB THR A 28 -9.889 -4.652 3.207 1.00 0.00 C ATOM 372 OG1 THR A 28 -9.504 -5.226 1.961 1.00 0.00 O ATOM 373 CG2 THR A 28 -11.240 -3.996 2.914 1.00 0.00 C ATOM 0 H THR A 28 -8.250 -3.486 1.480 1.00 0.00 H new ATOM 0 HA THR A 28 -9.152 -2.958 4.282 1.00 0.00 H new ATOM 0 HB THR A 28 -9.990 -5.328 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 28 -10.160 -5.904 1.697 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.983 -4.768 2.713 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.553 -3.407 3.776 1.00 0.00 H new ATOM 0 HG23 THR A 28 -11.148 -3.346 2.044 1.00 0.00 H new ATOM 381 N GLU A 29 -7.633 -4.843 5.228 1.00 0.00 N ATOM 382 CA GLU A 29 -6.495 -5.478 5.871 1.00 0.00 C ATOM 383 C GLU A 29 -6.084 -6.735 5.100 1.00 0.00 C ATOM 384 O GLU A 29 -6.924 -7.575 4.782 1.00 0.00 O ATOM 385 CB GLU A 29 -6.805 -5.808 7.332 1.00 0.00 C ATOM 386 CG GLU A 29 -5.904 -6.933 7.843 1.00 0.00 C ATOM 387 CD GLU A 29 -6.641 -8.274 7.833 1.00 0.00 C ATOM 388 OE1 GLU A 29 -7.583 -8.397 7.021 1.00 0.00 O ATOM 389 OE2 GLU A 29 -6.245 -9.146 8.637 1.00 0.00 O ATOM 0 H GLU A 29 -8.505 -4.897 5.754 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.659 -4.779 5.860 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.666 -4.919 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.850 -6.102 7.428 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.012 -7.000 7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.570 -6.705 8.855 1.00 0.00 H new ATOM 396 N GLY A 30 -4.792 -6.824 4.823 1.00 0.00 N ATOM 397 CA GLY A 30 -4.259 -7.963 4.096 1.00 0.00 C ATOM 398 C GLY A 30 -4.043 -7.620 2.621 1.00 0.00 C ATOM 399 O GLY A 30 -3.150 -8.169 1.976 1.00 0.00 O ATOM 0 H GLY A 30 -4.098 -6.125 5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.315 -8.274 4.543 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.945 -8.806 4.180 1.00 0.00 H new ATOM 403 N GLU A 31 -4.876 -6.715 2.129 1.00 0.00 N ATOM 404 CA GLU A 31 -4.787 -6.293 0.741 1.00 0.00 C ATOM 405 C GLU A 31 -3.375 -5.796 0.427 1.00 0.00 C ATOM 406 O GLU A 31 -2.735 -5.162 1.264 1.00 0.00 O ATOM 407 CB GLU A 31 -5.829 -5.217 0.428 1.00 0.00 C ATOM 408 CG GLU A 31 -7.222 -5.830 0.275 1.00 0.00 C ATOM 409 CD GLU A 31 -7.452 -6.934 1.310 1.00 0.00 C ATOM 410 OE1 GLU A 31 -7.422 -6.598 2.513 1.00 0.00 O ATOM 411 OE2 GLU A 31 -7.652 -8.088 0.873 1.00 0.00 O ATOM 0 H GLU A 31 -5.616 -6.262 2.666 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.998 -7.153 0.106 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.840 -4.474 1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.554 -4.696 -0.489 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.979 -5.055 0.391 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.335 -6.239 -0.729 1.00 0.00 H new ATOM 418 N GLU A 32 -2.929 -6.104 -0.783 1.00 0.00 N ATOM 419 CA GLU A 32 -1.604 -5.697 -1.218 1.00 0.00 C ATOM 420 C GLU A 32 -1.669 -4.336 -1.915 1.00 0.00 C ATOM 421 O GLU A 32 -2.384 -4.174 -2.902 1.00 0.00 O ATOM 422 CB GLU A 32 -0.980 -6.752 -2.133 1.00 0.00 C ATOM 423 CG GLU A 32 0.146 -7.502 -1.418 1.00 0.00 C ATOM 424 CD GLU A 32 0.783 -8.544 -2.339 1.00 0.00 C ATOM 425 OE1 GLU A 32 1.309 -8.125 -3.392 1.00 0.00 O ATOM 426 OE2 GLU A 32 0.729 -9.737 -1.969 1.00 0.00 O ATOM 0 H GLU A 32 -3.462 -6.631 -1.475 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.967 -5.603 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.745 -7.458 -2.454 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.590 -6.274 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.905 -6.794 -1.085 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.247 -7.991 -0.527 1.00 0.00 H new ATOM 433 N ILE A 33 -0.912 -3.393 -1.373 1.00 0.00 N ATOM 434 CA ILE A 33 -0.875 -2.052 -1.930 1.00 0.00 C ATOM 435 C ILE A 33 0.503 -1.798 -2.546 1.00 0.00 C ATOM 436 O ILE A 33 1.526 -2.083 -1.925 1.00 0.00 O ATOM 437 CB ILE A 33 -1.275 -1.021 -0.873 1.00 0.00 C ATOM 438 CG1 ILE A 33 -2.760 -1.141 -0.524 1.00 0.00 C ATOM 439 CG2 ILE A 33 -0.904 0.394 -1.318 1.00 0.00 C ATOM 440 CD1 ILE A 33 -2.996 -0.886 0.966 1.00 0.00 C ATOM 0 H ILE A 33 -0.320 -3.531 -0.554 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.607 -1.953 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.712 -1.230 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.335 -0.427 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.120 -2.135 -0.788 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.200 1.107 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.173 0.455 -1.475 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.420 0.630 -2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.059 -0.977 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.439 -1.617 1.553 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.658 0.118 1.221 1.00 0.00 H new ATOM 452 N LEU A 34 0.485 -1.265 -3.758 1.00 0.00 N ATOM 453 CA LEU A 34 1.720 -0.970 -4.465 1.00 0.00 C ATOM 454 C LEU A 34 2.024 0.525 -4.347 1.00 0.00 C ATOM 455 O LEU A 34 1.428 1.340 -5.049 1.00 0.00 O ATOM 456 CB LEU A 34 1.644 -1.471 -5.908 1.00 0.00 C ATOM 457 CG LEU A 34 2.937 -1.371 -6.721 1.00 0.00 C ATOM 458 CD1 LEU A 34 4.086 -2.094 -6.016 1.00 0.00 C ATOM 459 CD2 LEU A 34 2.728 -1.882 -8.148 1.00 0.00 C ATOM 0 H LEU A 34 -0.366 -1.029 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 34 2.556 -1.503 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.327 -2.514 -5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.867 -0.909 -6.427 1.00 0.00 H new ATOM 0 HG LEU A 34 3.215 -0.319 -6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.992 -2.007 -6.615 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.253 -1.644 -5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.832 -3.147 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.662 -1.800 -8.704 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.414 -2.925 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.959 -1.285 -8.639 1.00 0.00 H new ATOM 471 N VAL A 35 2.952 0.839 -3.455 1.00 0.00 N ATOM 472 CA VAL A 35 3.343 2.222 -3.237 1.00 0.00 C ATOM 473 C VAL A 35 4.378 2.626 -4.288 1.00 0.00 C ATOM 474 O VAL A 35 5.277 1.850 -4.610 1.00 0.00 O ATOM 475 CB VAL A 35 3.844 2.404 -1.803 1.00 0.00 C ATOM 476 CG1 VAL A 35 4.247 3.857 -1.543 1.00 0.00 C ATOM 477 CG2 VAL A 35 2.795 1.936 -0.792 1.00 0.00 C ATOM 0 H VAL A 35 3.445 0.160 -2.875 1.00 0.00 H new ATOM 0 HA VAL A 35 2.486 2.885 -3.354 1.00 0.00 H new ATOM 0 HB VAL A 35 4.731 1.783 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.599 3.959 -0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.044 4.142 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.385 4.507 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.176 2.076 0.219 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.882 2.518 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.578 0.880 -0.955 1.00 0.00 H new ATOM 487 N THR A 36 4.218 3.840 -4.793 1.00 0.00 N ATOM 488 CA THR A 36 5.128 4.357 -5.801 1.00 0.00 C ATOM 489 C THR A 36 5.618 5.754 -5.412 1.00 0.00 C ATOM 490 O THR A 36 6.804 6.055 -5.532 1.00 0.00 O ATOM 491 CB THR A 36 4.409 4.320 -7.151 1.00 0.00 C ATOM 492 OG1 THR A 36 3.326 5.233 -6.993 1.00 0.00 O ATOM 493 CG2 THR A 36 3.728 2.975 -7.415 1.00 0.00 C ATOM 0 H THR A 36 3.472 4.481 -4.523 1.00 0.00 H new ATOM 0 HA THR A 36 6.025 3.742 -5.877 1.00 0.00 H new ATOM 0 HB THR A 36 5.123 4.528 -7.948 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.807 5.272 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.233 3.002 -8.386 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.476 2.182 -7.411 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.990 2.782 -6.636 1.00 0.00 H new ATOM 501 N GLN A 37 4.679 6.568 -4.954 1.00 0.00 N ATOM 502 CA GLN A 37 4.999 7.926 -4.546 1.00 0.00 C ATOM 503 C GLN A 37 4.791 8.091 -3.040 1.00 0.00 C ATOM 504 O GLN A 37 3.726 7.765 -2.517 1.00 0.00 O ATOM 505 CB GLN A 37 4.169 8.944 -5.330 1.00 0.00 C ATOM 506 CG GLN A 37 5.066 9.998 -5.981 1.00 0.00 C ATOM 507 CD GLN A 37 4.269 11.256 -6.332 1.00 0.00 C ATOM 508 OE1 GLN A 37 3.922 12.060 -5.482 1.00 0.00 O ATOM 509 NE2 GLN A 37 3.998 11.381 -7.628 1.00 0.00 N ATOM 0 H GLN A 37 3.696 6.314 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 37 6.049 8.114 -4.770 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.588 8.432 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.457 9.429 -4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.880 10.256 -5.304 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.520 9.587 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.318 10.671 -8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.470 12.187 -7.963 1.00 0.00 H new ATOM 518 N LYS A 38 5.825 8.597 -2.383 1.00 0.00 N ATOM 519 CA LYS A 38 5.768 8.809 -0.947 1.00 0.00 C ATOM 520 C LYS A 38 5.887 10.305 -0.652 1.00 0.00 C ATOM 521 O LYS A 38 6.980 10.867 -0.703 1.00 0.00 O ATOM 522 CB LYS A 38 6.822 7.957 -0.237 1.00 0.00 C ATOM 523 CG LYS A 38 6.709 6.488 -0.651 1.00 0.00 C ATOM 524 CD LYS A 38 7.634 5.608 0.192 1.00 0.00 C ATOM 525 CE LYS A 38 7.835 4.239 -0.461 1.00 0.00 C ATOM 526 NZ LYS A 38 9.147 4.179 -1.144 1.00 0.00 N ATOM 0 H LYS A 38 6.707 8.866 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 38 4.807 8.481 -0.552 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.818 8.330 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.699 8.045 0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.678 6.153 -0.537 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.963 6.383 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.598 6.101 0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.212 5.481 1.189 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.776 3.456 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.036 4.050 -1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.046 3.673 -2.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.489 5.144 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.830 3.677 -0.541 1.00 0.00 H new ATOM 540 N ASP A 39 4.747 10.909 -0.350 1.00 0.00 N ATOM 541 CA ASP A 39 4.709 12.329 -0.047 1.00 0.00 C ATOM 542 C ASP A 39 4.564 12.520 1.464 1.00 0.00 C ATOM 543 O ASP A 39 3.479 12.339 2.015 1.00 0.00 O ATOM 544 CB ASP A 39 3.516 13.006 -0.725 1.00 0.00 C ATOM 545 CG ASP A 39 3.876 13.953 -1.872 1.00 0.00 C ATOM 546 OD1 ASP A 39 4.378 13.440 -2.895 1.00 0.00 O ATOM 547 OD2 ASP A 39 3.642 15.169 -1.699 1.00 0.00 O ATOM 0 H ASP A 39 3.842 10.440 -0.309 1.00 0.00 H new ATOM 0 HA ASP A 39 5.633 12.776 -0.413 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.848 12.234 -1.107 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.959 13.565 0.027 1.00 0.00 H new ATOM 552 N GLY A 40 5.673 12.884 2.091 1.00 0.00 N ATOM 553 CA GLY A 40 5.683 13.101 3.528 1.00 0.00 C ATOM 554 C GLY A 40 5.343 11.813 4.280 1.00 0.00 C ATOM 555 O GLY A 40 6.023 10.800 4.123 1.00 0.00 O ATOM 0 H GLY A 40 6.571 13.034 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.665 13.459 3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.964 13.878 3.787 1.00 0.00 H new ATOM 559 N GLU A 41 4.290 11.893 5.080 1.00 0.00 N ATOM 560 CA GLU A 41 3.851 10.747 5.857 1.00 0.00 C ATOM 561 C GLU A 41 2.863 9.904 5.048 1.00 0.00 C ATOM 562 O GLU A 41 2.935 8.676 5.057 1.00 0.00 O ATOM 563 CB GLU A 41 3.235 11.188 7.186 1.00 0.00 C ATOM 564 CG GLU A 41 4.130 10.793 8.363 1.00 0.00 C ATOM 565 CD GLU A 41 5.401 11.645 8.395 1.00 0.00 C ATOM 566 OE1 GLU A 41 5.287 12.847 8.074 1.00 0.00 O ATOM 567 OE2 GLU A 41 6.458 11.073 8.738 1.00 0.00 O ATOM 0 H GLU A 41 3.728 12.735 5.207 1.00 0.00 H new ATOM 0 HA GLU A 41 4.722 10.133 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.088 12.268 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.251 10.733 7.304 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.583 10.915 9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.396 9.739 8.284 1.00 0.00 H new ATOM 574 N TRP A 42 1.962 10.598 4.367 1.00 0.00 N ATOM 575 CA TRP A 42 0.961 9.929 3.554 1.00 0.00 C ATOM 576 C TRP A 42 1.564 9.682 2.170 1.00 0.00 C ATOM 577 O TRP A 42 1.896 10.627 1.456 1.00 0.00 O ATOM 578 CB TRP A 42 -0.336 10.739 3.505 1.00 0.00 C ATOM 579 CG TRP A 42 -1.087 10.792 4.837 1.00 0.00 C ATOM 580 CD1 TRP A 42 -0.702 11.378 5.979 1.00 0.00 C ATOM 581 CD2 TRP A 42 -2.378 10.211 5.120 1.00 0.00 C ATOM 582 NE1 TRP A 42 -1.645 11.217 6.973 1.00 0.00 N ATOM 583 CE2 TRP A 42 -2.696 10.485 6.434 1.00 0.00 C ATOM 584 CE3 TRP A 42 -3.247 9.478 4.293 1.00 0.00 C ATOM 585 CZ2 TRP A 42 -3.887 10.064 7.038 1.00 0.00 C ATOM 586 CZ3 TRP A 42 -4.432 9.064 4.912 1.00 0.00 C ATOM 587 CH2 TRP A 42 -4.768 9.332 6.233 1.00 0.00 C ATOM 0 H TRP A 42 1.905 11.616 4.362 1.00 0.00 H new ATOM 0 HA TRP A 42 0.688 8.969 3.991 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.105 11.756 3.189 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.992 10.311 2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.230 11.910 6.105 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.582 11.570 7.928 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.018 9.252 3.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -4.114 10.292 8.069 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.135 8.496 4.321 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.705 8.977 6.637 1.00 0.00 H new ATOM 598 N TRP A 43 1.687 8.407 1.832 1.00 0.00 N ATOM 599 CA TRP A 43 2.244 8.023 0.546 1.00 0.00 C ATOM 600 C TRP A 43 1.084 7.649 -0.379 1.00 0.00 C ATOM 601 O TRP A 43 -0.025 7.388 0.085 1.00 0.00 O ATOM 602 CB TRP A 43 3.268 6.898 0.706 1.00 0.00 C ATOM 603 CG TRP A 43 4.281 7.133 1.828 1.00 0.00 C ATOM 604 CD1 TRP A 43 4.694 8.303 2.335 1.00 0.00 C ATOM 605 CD2 TRP A 43 4.998 6.121 2.565 1.00 0.00 C ATOM 606 NE1 TRP A 43 5.620 8.120 3.342 1.00 0.00 N ATOM 607 CE2 TRP A 43 5.811 6.750 3.486 1.00 0.00 C ATOM 608 CE3 TRP A 43 4.961 4.719 2.458 1.00 0.00 C ATOM 609 CZ2 TRP A 43 6.647 6.058 4.370 1.00 0.00 C ATOM 610 CZ3 TRP A 43 5.803 4.042 3.348 1.00 0.00 C ATOM 611 CH2 TRP A 43 6.627 4.661 4.281 1.00 0.00 C ATOM 0 H TRP A 43 1.410 7.626 2.427 1.00 0.00 H new ATOM 0 HA TRP A 43 2.791 8.853 0.099 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.739 5.964 0.897 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.805 6.773 -0.234 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.346 9.268 1.998 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.079 8.854 3.881 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.333 4.205 1.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.274 6.574 5.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.813 2.963 3.307 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.249 4.067 4.934 1.00 0.00 H new ATOM 622 N THR A 44 1.380 7.635 -1.670 1.00 0.00 N ATOM 623 CA THR A 44 0.376 7.297 -2.665 1.00 0.00 C ATOM 624 C THR A 44 0.504 5.828 -3.075 1.00 0.00 C ATOM 625 O THR A 44 1.516 5.426 -3.646 1.00 0.00 O ATOM 626 CB THR A 44 0.524 8.270 -3.836 1.00 0.00 C ATOM 627 OG1 THR A 44 0.067 9.514 -3.313 1.00 0.00 O ATOM 628 CG2 THR A 44 -0.449 7.965 -4.977 1.00 0.00 C ATOM 0 H THR A 44 2.301 7.852 -2.050 1.00 0.00 H new ATOM 0 HA THR A 44 -0.631 7.402 -2.262 1.00 0.00 H new ATOM 0 HB THR A 44 1.547 8.233 -4.212 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.130 10.203 -4.007 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.302 8.685 -5.782 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.266 6.958 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.473 8.035 -4.610 1.00 0.00 H new ATOM 636 N GLY A 45 -0.536 5.068 -2.767 1.00 0.00 N ATOM 637 CA GLY A 45 -0.553 3.653 -3.096 1.00 0.00 C ATOM 638 C GLY A 45 -1.306 3.403 -4.404 1.00 0.00 C ATOM 639 O GLY A 45 -1.913 4.318 -4.959 1.00 0.00 O ATOM 0 H GLY A 45 -1.374 5.406 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.469 3.284 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.025 3.094 -2.288 1.00 0.00 H new ATOM 643 N SER A 46 -1.243 2.160 -4.857 1.00 0.00 N ATOM 644 CA SER A 46 -1.912 1.778 -6.090 1.00 0.00 C ATOM 645 C SER A 46 -2.366 0.319 -6.008 1.00 0.00 C ATOM 646 O SER A 46 -1.683 -0.515 -5.417 1.00 0.00 O ATOM 647 CB SER A 46 -0.998 1.983 -7.299 1.00 0.00 C ATOM 648 OG SER A 46 -1.726 2.378 -8.458 1.00 0.00 O ATOM 0 H SER A 46 -0.739 1.404 -4.393 1.00 0.00 H new ATOM 0 HA SER A 46 -2.786 2.417 -6.218 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.251 2.741 -7.064 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.459 1.059 -7.507 1.00 0.00 H new ATOM 0 HG SER A 46 -2.449 2.986 -8.198 1.00 0.00 H new ATOM 654 N ILE A 47 -3.517 0.057 -6.610 1.00 0.00 N ATOM 655 CA ILE A 47 -4.070 -1.287 -6.613 1.00 0.00 C ATOM 656 C ILE A 47 -4.640 -1.596 -7.999 1.00 0.00 C ATOM 657 O ILE A 47 -5.650 -1.020 -8.402 1.00 0.00 O ATOM 658 CB ILE A 47 -5.086 -1.451 -5.480 1.00 0.00 C ATOM 659 CG1 ILE A 47 -4.422 -1.250 -4.116 1.00 0.00 C ATOM 660 CG2 ILE A 47 -5.802 -2.799 -5.577 1.00 0.00 C ATOM 661 CD1 ILE A 47 -5.466 -0.959 -3.036 1.00 0.00 C ATOM 0 H ILE A 47 -4.081 0.752 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.288 -2.021 -6.418 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.845 -0.676 -5.586 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.855 -2.142 -3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.711 -0.426 -4.171 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.518 -2.890 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.328 -2.864 -6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.071 -3.605 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.968 -0.820 -2.076 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.014 -0.053 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.161 -1.796 -2.966 1.00 0.00 H new ATOM 673 N GLY A 48 -3.968 -2.504 -8.691 1.00 0.00 N ATOM 674 CA GLY A 48 -4.395 -2.897 -10.023 1.00 0.00 C ATOM 675 C GLY A 48 -4.298 -1.722 -10.998 1.00 0.00 C ATOM 676 O GLY A 48 -3.411 -1.689 -11.850 1.00 0.00 O ATOM 0 H GLY A 48 -3.131 -2.979 -8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.777 -3.721 -10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.422 -3.261 -9.987 1.00 0.00 H new ATOM 680 N ASP A 49 -5.223 -0.786 -10.841 1.00 0.00 N ATOM 681 CA ASP A 49 -5.253 0.388 -11.697 1.00 0.00 C ATOM 682 C ASP A 49 -5.847 1.565 -10.920 1.00 0.00 C ATOM 683 O ASP A 49 -6.365 2.508 -11.516 1.00 0.00 O ATOM 684 CB ASP A 49 -6.125 0.147 -12.931 1.00 0.00 C ATOM 685 CG ASP A 49 -5.446 0.444 -14.270 1.00 0.00 C ATOM 686 OD1 ASP A 49 -4.200 0.542 -14.265 1.00 0.00 O ATOM 687 OD2 ASP A 49 -6.189 0.566 -15.268 1.00 0.00 O ATOM 0 H ASP A 49 -5.957 -0.817 -10.134 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.232 0.602 -12.013 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.452 -0.893 -12.929 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.021 0.763 -12.850 1.00 0.00 H new ATOM 692 N ARG A 50 -5.753 1.470 -9.602 1.00 0.00 N ATOM 693 CA ARG A 50 -6.275 2.515 -8.738 1.00 0.00 C ATOM 694 C ARG A 50 -5.127 3.319 -8.124 1.00 0.00 C ATOM 695 O ARG A 50 -4.029 2.796 -7.936 1.00 0.00 O ATOM 696 CB ARG A 50 -7.133 1.926 -7.617 1.00 0.00 C ATOM 697 CG ARG A 50 -8.584 1.753 -8.070 1.00 0.00 C ATOM 698 CD ARG A 50 -9.328 0.771 -7.162 1.00 0.00 C ATOM 699 NE ARG A 50 -9.354 -0.572 -7.784 1.00 0.00 N ATOM 700 CZ ARG A 50 -10.041 -1.613 -7.293 1.00 0.00 C ATOM 701 NH1 ARG A 50 -10.762 -1.473 -6.173 1.00 0.00 N ATOM 702 NH2 ARG A 50 -10.006 -2.795 -7.924 1.00 0.00 N ATOM 0 H ARG A 50 -5.323 0.686 -9.111 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.896 3.170 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.726 0.962 -7.311 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.096 2.579 -6.745 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -9.090 2.719 -8.059 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.607 1.392 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -8.840 0.721 -6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.346 1.121 -6.990 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.816 -0.714 -8.639 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.789 -0.574 -5.693 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -11.284 -2.266 -5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -9.457 -2.902 -8.777 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.528 -3.588 -7.551 1.00 0.00 H new ATOM 716 N SER A 51 -5.419 4.577 -7.827 1.00 0.00 N ATOM 717 CA SER A 51 -4.425 5.457 -7.238 1.00 0.00 C ATOM 718 C SER A 51 -5.086 6.381 -6.213 1.00 0.00 C ATOM 719 O SER A 51 -6.212 6.833 -6.415 1.00 0.00 O ATOM 720 CB SER A 51 -3.712 6.280 -8.313 1.00 0.00 C ATOM 721 OG SER A 51 -4.411 6.257 -9.554 1.00 0.00 O ATOM 0 H SER A 51 -6.330 5.007 -7.984 1.00 0.00 H new ATOM 0 HA SER A 51 -3.679 4.842 -6.735 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.611 7.311 -7.973 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.704 5.892 -8.458 1.00 0.00 H new ATOM 0 HG SER A 51 -3.925 6.795 -10.213 1.00 0.00 H new ATOM 727 N GLY A 52 -4.357 6.635 -5.136 1.00 0.00 N ATOM 728 CA GLY A 52 -4.859 7.497 -4.079 1.00 0.00 C ATOM 729 C GLY A 52 -3.842 7.619 -2.942 1.00 0.00 C ATOM 730 O GLY A 52 -2.740 7.080 -3.030 1.00 0.00 O ATOM 0 H GLY A 52 -3.423 6.259 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.078 8.485 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.796 7.096 -3.692 1.00 0.00 H new ATOM 734 N ILE A 53 -4.250 8.330 -1.901 1.00 0.00 N ATOM 735 CA ILE A 53 -3.388 8.529 -0.748 1.00 0.00 C ATOM 736 C ILE A 53 -3.823 7.588 0.377 1.00 0.00 C ATOM 737 O ILE A 53 -4.959 7.116 0.392 1.00 0.00 O ATOM 738 CB ILE A 53 -3.368 10.004 -0.343 1.00 0.00 C ATOM 739 CG1 ILE A 53 -4.769 10.486 0.040 1.00 0.00 C ATOM 740 CG2 ILE A 53 -2.745 10.867 -1.442 1.00 0.00 C ATOM 741 CD1 ILE A 53 -4.805 10.972 1.490 1.00 0.00 C ATOM 0 H ILE A 53 -5.165 8.775 -1.832 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.357 8.276 -0.995 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.739 10.107 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -5.074 11.294 -0.625 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.485 9.675 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.743 11.911 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.721 10.541 -1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.326 10.765 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.812 11.309 1.736 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.523 10.155 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.106 11.799 1.614 1.00 0.00 H new ATOM 753 N PHE A 54 -2.896 7.343 1.292 1.00 0.00 N ATOM 754 CA PHE A 54 -3.170 6.466 2.418 1.00 0.00 C ATOM 755 C PHE A 54 -2.160 6.691 3.546 1.00 0.00 C ATOM 756 O PHE A 54 -1.091 7.257 3.322 1.00 0.00 O ATOM 757 CB PHE A 54 -3.037 5.030 1.909 1.00 0.00 C ATOM 758 CG PHE A 54 -1.598 4.607 1.608 1.00 0.00 C ATOM 759 CD1 PHE A 54 -0.753 4.297 2.627 1.00 0.00 C ATOM 760 CD2 PHE A 54 -1.164 4.541 0.321 1.00 0.00 C ATOM 761 CE1 PHE A 54 0.583 3.904 2.348 1.00 0.00 C ATOM 762 CE2 PHE A 54 0.172 4.148 0.041 1.00 0.00 C ATOM 763 CZ PHE A 54 1.017 3.838 1.061 1.00 0.00 C ATOM 0 H PHE A 54 -1.955 7.736 1.277 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.166 6.667 2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.456 4.352 2.652 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.634 4.920 1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.098 4.350 3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.835 4.787 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.254 3.658 3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.517 4.095 -0.981 1.00 0.00 H new ATOM 0 HZ PHE A 54 2.033 3.539 0.849 1.00 0.00 H new ATOM 773 N PRO A 55 -2.545 6.224 4.763 1.00 0.00 N ATOM 774 CA PRO A 55 -1.686 6.368 5.926 1.00 0.00 C ATOM 775 C PRO A 55 -0.523 5.375 5.875 1.00 0.00 C ATOM 776 O PRO A 55 -0.737 4.165 5.843 1.00 0.00 O ATOM 777 CB PRO A 55 -2.601 6.151 7.121 1.00 0.00 C ATOM 778 CG PRO A 55 -3.829 5.437 6.580 1.00 0.00 C ATOM 779 CD PRO A 55 -3.804 5.549 5.065 1.00 0.00 C ATOM 0 HA PRO A 55 -1.210 7.347 5.979 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.108 5.553 7.888 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.873 7.100 7.583 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.828 4.391 6.885 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.738 5.885 6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.849 4.567 4.595 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.657 6.119 4.696 1.00 0.00 H new ATOM 787 N SER A 56 0.682 5.925 5.869 1.00 0.00 N ATOM 788 CA SER A 56 1.880 5.103 5.822 1.00 0.00 C ATOM 789 C SER A 56 2.041 4.338 7.137 1.00 0.00 C ATOM 790 O SER A 56 2.911 3.477 7.256 1.00 0.00 O ATOM 791 CB SER A 56 3.121 5.953 5.546 1.00 0.00 C ATOM 792 OG SER A 56 3.393 6.862 6.610 1.00 0.00 O ATOM 0 H SER A 56 0.855 6.930 5.896 1.00 0.00 H new ATOM 0 HA SER A 56 1.774 4.389 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.982 5.301 5.398 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.980 6.510 4.620 1.00 0.00 H new ATOM 0 HG SER A 56 2.902 7.697 6.460 1.00 0.00 H new ATOM 798 N ASN A 57 1.189 4.681 8.092 1.00 0.00 N ATOM 799 CA ASN A 57 1.226 4.037 9.394 1.00 0.00 C ATOM 800 C ASN A 57 0.219 2.886 9.418 1.00 0.00 C ATOM 801 O ASN A 57 0.017 2.254 10.454 1.00 0.00 O ATOM 802 CB ASN A 57 0.849 5.019 10.505 1.00 0.00 C ATOM 803 CG ASN A 57 1.046 4.389 11.885 1.00 0.00 C ATOM 804 OD1 ASN A 57 1.674 3.354 12.039 1.00 0.00 O ATOM 805 ND2 ASN A 57 0.477 5.068 12.876 1.00 0.00 N ATOM 0 H ASN A 57 0.469 5.396 7.990 1.00 0.00 H new ATOM 0 HA ASN A 57 2.240 3.674 9.562 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.459 5.919 10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.190 5.326 10.387 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.552 4.729 13.835 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.034 5.928 12.677 1.00 0.00 H new ATOM 812 N TYR A 58 -0.387 2.648 8.264 1.00 0.00 N ATOM 813 CA TYR A 58 -1.369 1.584 8.140 1.00 0.00 C ATOM 814 C TYR A 58 -0.941 0.565 7.082 1.00 0.00 C ATOM 815 O TYR A 58 -1.756 -0.231 6.616 1.00 0.00 O ATOM 816 CB TYR A 58 -2.666 2.257 7.688 1.00 0.00 C ATOM 817 CG TYR A 58 -3.418 2.976 8.810 1.00 0.00 C ATOM 818 CD1 TYR A 58 -2.786 3.960 9.544 1.00 0.00 C ATOM 819 CD2 TYR A 58 -4.727 2.640 9.089 1.00 0.00 C ATOM 820 CE1 TYR A 58 -3.494 4.636 10.600 1.00 0.00 C ATOM 821 CE2 TYR A 58 -5.434 3.317 10.145 1.00 0.00 C ATOM 822 CZ TYR A 58 -4.783 4.281 10.848 1.00 0.00 C ATOM 823 OH TYR A 58 -5.451 4.920 11.846 1.00 0.00 O ATOM 0 H TYR A 58 -0.217 3.174 7.407 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.482 1.053 9.085 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -2.436 2.975 6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.321 1.504 7.250 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.761 4.222 9.326 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.221 1.870 8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -3.012 5.408 11.182 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.459 3.064 10.373 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.362 4.565 11.909 1.00 0.00 H new ATOM 833 N VAL A 59 0.335 0.621 6.733 1.00 0.00 N ATOM 834 CA VAL A 59 0.881 -0.287 5.739 1.00 0.00 C ATOM 835 C VAL A 59 2.231 -0.818 6.225 1.00 0.00 C ATOM 836 O VAL A 59 2.945 -0.133 6.955 1.00 0.00 O ATOM 837 CB VAL A 59 0.968 0.415 4.382 1.00 0.00 C ATOM 838 CG1 VAL A 59 -0.391 0.985 3.971 1.00 0.00 C ATOM 839 CG2 VAL A 59 2.040 1.507 4.397 1.00 0.00 C ATOM 0 H VAL A 59 1.008 1.282 7.121 1.00 0.00 H new ATOM 0 HA VAL A 59 0.224 -1.146 5.605 1.00 0.00 H new ATOM 0 HB VAL A 59 1.258 -0.328 3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.301 1.478 3.003 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.118 0.176 3.900 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.723 1.707 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.081 1.990 3.421 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.794 2.248 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.009 1.062 4.623 1.00 0.00 H new ATOM 849 N LYS A 60 2.539 -2.035 5.801 1.00 0.00 N ATOM 850 CA LYS A 60 3.790 -2.666 6.184 1.00 0.00 C ATOM 851 C LYS A 60 4.526 -3.135 4.927 1.00 0.00 C ATOM 852 O LYS A 60 3.911 -3.325 3.879 1.00 0.00 O ATOM 853 CB LYS A 60 3.538 -3.781 7.202 1.00 0.00 C ATOM 854 CG LYS A 60 2.855 -4.981 6.542 1.00 0.00 C ATOM 855 CD LYS A 60 3.072 -6.254 7.362 1.00 0.00 C ATOM 856 CE LYS A 60 1.881 -7.205 7.224 1.00 0.00 C ATOM 857 NZ LYS A 60 1.621 -7.899 8.504 1.00 0.00 N ATOM 0 H LYS A 60 1.944 -2.601 5.196 1.00 0.00 H new ATOM 0 HA LYS A 60 4.440 -1.949 6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.483 -4.094 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.915 -3.404 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.787 -4.786 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.250 -5.121 5.536 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.982 -6.754 7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.216 -5.995 8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.996 -6.647 6.920 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.081 -7.936 6.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.678 -8.337 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.341 -8.635 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.661 -7.213 9.285 1.00 0.00 H new ATOM 871 N PRO A 61 5.866 -3.313 5.078 1.00 0.00 N ATOM 872 CA PRO A 61 6.691 -3.756 3.968 1.00 0.00 C ATOM 873 C PRO A 61 6.489 -5.248 3.695 1.00 0.00 C ATOM 874 O PRO A 61 6.792 -6.085 4.545 1.00 0.00 O ATOM 875 CB PRO A 61 8.115 -3.415 4.376 1.00 0.00 C ATOM 876 CG PRO A 61 8.082 -3.221 5.883 1.00 0.00 C ATOM 877 CD PRO A 61 6.627 -3.098 6.305 1.00 0.00 C ATOM 0 HA PRO A 61 6.431 -3.266 3.029 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.802 -4.215 4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.459 -2.511 3.873 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.556 -4.064 6.387 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.638 -2.327 6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.371 -3.837 7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.420 -2.117 6.732 1.00 0.00 H new ATOM 885 N LYS A 62 5.979 -5.536 2.507 1.00 0.00 N ATOM 886 CA LYS A 62 5.733 -6.913 2.112 1.00 0.00 C ATOM 887 C LYS A 62 7.034 -7.710 2.220 1.00 0.00 C ATOM 888 O LYS A 62 7.881 -7.646 1.330 1.00 0.00 O ATOM 889 CB LYS A 62 5.092 -6.965 0.723 1.00 0.00 C ATOM 890 CG LYS A 62 5.301 -8.335 0.074 1.00 0.00 C ATOM 891 CD LYS A 62 4.017 -8.825 -0.598 1.00 0.00 C ATOM 892 CE LYS A 62 3.278 -9.823 0.295 1.00 0.00 C ATOM 893 NZ LYS A 62 4.026 -11.098 0.377 1.00 0.00 N ATOM 0 H LYS A 62 5.729 -4.840 1.805 1.00 0.00 H new ATOM 0 HA LYS A 62 5.016 -7.381 2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.025 -6.755 0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.523 -6.189 0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.101 -8.274 -0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.618 -9.054 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.369 -7.976 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.258 -9.294 -1.552 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.152 -9.403 1.293 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.279 -10.005 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.375 -11.867 0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.459 -11.306 -0.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.770 -11.018 1.099 1.00 0.00 H new ATOM 907 N ASP A 63 7.152 -8.444 3.317 1.00 0.00 N ATOM 908 CA ASP A 63 8.335 -9.253 3.552 1.00 0.00 C ATOM 909 C ASP A 63 8.025 -10.713 3.216 1.00 0.00 C ATOM 910 O ASP A 63 7.082 -11.291 3.755 1.00 0.00 O ATOM 911 CB ASP A 63 8.765 -9.186 5.019 1.00 0.00 C ATOM 912 CG ASP A 63 9.976 -8.294 5.299 1.00 0.00 C ATOM 913 OD1 ASP A 63 11.105 -8.818 5.186 1.00 0.00 O ATOM 914 OD2 ASP A 63 9.745 -7.108 5.619 1.00 0.00 O ATOM 0 H ASP A 63 6.447 -8.495 4.053 1.00 0.00 H new ATOM 0 HA ASP A 63 9.137 -8.868 2.923 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.924 -8.827 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.990 -10.196 5.362 1.00 0.00 H new ATOM 919 N SER A 64 8.836 -11.267 2.327 1.00 0.00 N ATOM 920 CA SER A 64 8.659 -12.649 1.913 1.00 0.00 C ATOM 921 C SER A 64 8.350 -13.524 3.129 1.00 0.00 C ATOM 922 O SER A 64 9.072 -13.487 4.124 1.00 0.00 O ATOM 923 CB SER A 64 9.902 -13.169 1.186 1.00 0.00 C ATOM 924 OG SER A 64 11.081 -13.020 1.972 1.00 0.00 O ATOM 0 H SER A 64 9.617 -10.785 1.882 1.00 0.00 H new ATOM 0 HA SER A 64 7.820 -12.694 1.219 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.763 -14.221 0.937 1.00 0.00 H new ATOM 0 HB3 SER A 64 10.023 -12.632 0.245 1.00 0.00 H new ATOM 0 HG SER A 64 10.864 -13.161 2.917 1.00 0.00 H new ATOM 930 N GLY A 65 7.277 -14.292 3.008 1.00 0.00 N ATOM 931 CA GLY A 65 6.864 -15.175 4.085 1.00 0.00 C ATOM 932 C GLY A 65 5.339 -15.247 4.181 1.00 0.00 C ATOM 933 O GLY A 65 4.646 -15.188 3.166 1.00 0.00 O ATOM 0 H GLY A 65 6.681 -14.321 2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.269 -16.173 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.275 -14.819 5.030 1.00 0.00 H new ATOM 937 N PRO A 66 4.847 -15.377 5.442 1.00 0.00 N ATOM 938 CA PRO A 66 3.417 -15.457 5.684 1.00 0.00 C ATOM 939 C PRO A 66 2.757 -14.085 5.531 1.00 0.00 C ATOM 940 O PRO A 66 3.189 -13.112 6.148 1.00 0.00 O ATOM 941 CB PRO A 66 3.286 -16.025 7.087 1.00 0.00 C ATOM 942 CG PRO A 66 4.635 -15.808 7.753 1.00 0.00 C ATOM 943 CD PRO A 66 5.638 -15.450 6.668 1.00 0.00 C ATOM 0 HA PRO A 66 2.904 -16.092 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A 66 2.492 -15.522 7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.031 -17.084 7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.572 -15.010 8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.949 -16.708 8.281 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.129 -14.500 6.880 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.422 -16.203 6.589 1.00 0.00 H new ATOM 951 N SER A 67 1.721 -14.050 4.706 1.00 0.00 N ATOM 952 CA SER A 67 0.998 -12.814 4.464 1.00 0.00 C ATOM 953 C SER A 67 0.780 -12.068 5.782 1.00 0.00 C ATOM 954 O SER A 67 1.213 -10.927 5.933 1.00 0.00 O ATOM 955 CB SER A 67 -0.344 -13.085 3.780 1.00 0.00 C ATOM 956 OG SER A 67 -0.211 -13.183 2.365 1.00 0.00 O ATOM 0 H SER A 67 1.365 -14.859 4.196 1.00 0.00 H new ATOM 0 HA SER A 67 1.597 -12.194 3.797 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.769 -14.010 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.043 -12.285 4.024 1.00 0.00 H new ATOM 0 HG SER A 67 -1.089 -13.358 1.965 1.00 0.00 H new ATOM 962 N SER A 68 0.109 -12.744 6.704 1.00 0.00 N ATOM 963 CA SER A 68 -0.171 -12.160 8.004 1.00 0.00 C ATOM 964 C SER A 68 -1.028 -10.903 7.840 1.00 0.00 C ATOM 965 O SER A 68 -0.554 -9.886 7.337 1.00 0.00 O ATOM 966 CB SER A 68 1.123 -11.826 8.749 1.00 0.00 C ATOM 967 OG SER A 68 1.791 -12.998 9.210 1.00 0.00 O ATOM 0 H SER A 68 -0.249 -13.691 6.576 1.00 0.00 H new ATOM 0 HA SER A 68 -0.720 -12.892 8.596 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.787 -11.266 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.897 -11.180 9.597 1.00 0.00 H new ATOM 0 HG SER A 68 2.613 -12.743 9.679 1.00 0.00 H new ATOM 973 N GLY A 69 -2.275 -11.015 8.274 1.00 0.00 N ATOM 974 CA GLY A 69 -3.202 -9.900 8.181 1.00 0.00 C ATOM 975 C GLY A 69 -3.681 -9.704 6.742 1.00 0.00 C ATOM 976 O GLY A 69 -4.157 -10.644 6.108 1.00 0.00 O ATOM 0 H GLY A 69 -2.665 -11.860 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.058 -10.079 8.832 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.718 -8.989 8.534 1.00 0.00 H new TER 980 GLY A 69