USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 ASN : amide:sc= 0.967 K(o=3.2,f=1.5) USER MOD Set 1.2: A 22 GLN : amide:sc= 2.25 K(o=3.2,f=1.5) USER MOD Single : A 1 LYS N :NH3+ -119:sc= -0.307 (180deg=-2.15!) USER MOD Single : A 1 LYS NZ :NH3+ -176:sc= 0.173 (180deg=0.159) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0926 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc=-0.00492 (180deg=-0.105) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 13:sc= 1.25 USER MOD Single : A 16 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0477) USER MOD Single : A 24 SER OG : rot -129:sc= 1.9 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.216 K(o=-0.22,f=-3.2!) USER MOD Single : A 34 THR OG1 : rot 78:sc= 1.08 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= -0.218 (180deg=-0.275) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 116:sc= 1.23 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.923 K(o=0.92,f=-3) USER MOD Single : A 62 SER OG : rot -81:sc= 0.443 USER MOD Single : A 67 GLN : amide:sc= -1.48 K(o=-1.5,f=-2.4) USER MOD Single : A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0145) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.0602 X(o=0.06,f=-0.0069) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.861 -3.372 -2.605 1.00 0.00 N ATOM 2 CA LYS A 1 -16.639 -2.417 -3.371 1.00 0.00 C ATOM 3 C LYS A 1 -15.744 -1.674 -4.367 1.00 0.00 C ATOM 4 O LYS A 1 -14.991 -2.303 -5.106 1.00 0.00 O ATOM 5 CB LYS A 1 -17.518 -1.530 -2.470 1.00 0.00 C ATOM 6 CG LYS A 1 -18.379 -2.380 -1.523 1.00 0.00 C ATOM 7 CD LYS A 1 -19.553 -1.587 -0.928 1.00 0.00 C ATOM 8 CE LYS A 1 -19.126 -0.424 -0.021 1.00 0.00 C ATOM 9 NZ LYS A 1 -18.439 -0.896 1.195 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.224 -4.332 -2.776 1.00 0.00 H new ATOM 0 H2 LYS A 1 -14.864 -3.322 -2.897 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.937 -3.148 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 1 -17.367 -2.950 -3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.886 -0.859 -1.888 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.162 -0.904 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -18.765 -3.244 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -17.756 -2.763 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -20.162 -1.194 -1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -20.185 -2.267 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -18.466 0.244 -0.574 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -20.004 0.157 0.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -18.228 -0.085 1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.052 -1.566 1.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.552 -1.370 0.931 1.00 0.00 H new ATOM 25 N SER A 2 -15.834 -0.349 -4.411 1.00 0.00 N ATOM 26 CA SER A 2 -15.131 0.503 -5.356 1.00 0.00 C ATOM 27 C SER A 2 -13.707 0.808 -4.871 1.00 0.00 C ATOM 28 O SER A 2 -13.390 0.529 -3.715 1.00 0.00 O ATOM 29 CB SER A 2 -15.988 1.773 -5.468 1.00 0.00 C ATOM 30 OG SER A 2 -16.380 2.181 -4.168 1.00 0.00 O ATOM 0 H SER A 2 -16.421 0.178 -3.764 1.00 0.00 H new ATOM 0 HA SER A 2 -15.007 0.025 -6.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.423 2.566 -5.957 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.867 1.581 -6.083 1.00 0.00 H new ATOM 0 HG SER A 2 -16.926 2.992 -4.231 1.00 0.00 H new ATOM 36 N PRO A 3 -12.834 1.402 -5.711 1.00 0.00 N ATOM 37 CA PRO A 3 -11.489 1.805 -5.305 1.00 0.00 C ATOM 38 C PRO A 3 -11.502 2.613 -4.001 1.00 0.00 C ATOM 39 O PRO A 3 -10.546 2.567 -3.231 1.00 0.00 O ATOM 40 CB PRO A 3 -10.926 2.616 -6.474 1.00 0.00 C ATOM 41 CG PRO A 3 -11.660 2.022 -7.675 1.00 0.00 C ATOM 42 CD PRO A 3 -13.054 1.756 -7.107 1.00 0.00 C ATOM 0 HA PRO A 3 -10.866 0.937 -5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.127 3.681 -6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.846 2.503 -6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.689 2.714 -8.517 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.185 1.108 -8.031 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.690 2.637 -7.195 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.551 0.949 -7.645 1.00 0.00 H new ATOM 50 N GLU A 4 -12.599 3.336 -3.744 1.00 0.00 N ATOM 51 CA GLU A 4 -12.831 4.101 -2.529 1.00 0.00 C ATOM 52 C GLU A 4 -12.543 3.242 -1.288 1.00 0.00 C ATOM 53 O GLU A 4 -12.028 3.746 -0.295 1.00 0.00 O ATOM 54 CB GLU A 4 -14.283 4.600 -2.539 1.00 0.00 C ATOM 55 CG GLU A 4 -14.591 5.537 -1.364 1.00 0.00 C ATOM 56 CD GLU A 4 -15.999 6.115 -1.467 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.932 5.307 -1.671 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.116 7.354 -1.351 1.00 0.00 O ATOM 0 H GLU A 4 -13.373 3.402 -4.405 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.157 4.957 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.478 5.122 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.958 3.745 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.487 4.992 -0.426 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.864 6.348 -1.343 1.00 0.00 H new ATOM 65 N GLU A 5 -12.851 1.943 -1.337 1.00 0.00 N ATOM 66 CA GLU A 5 -12.588 1.040 -0.228 1.00 0.00 C ATOM 67 C GLU A 5 -11.088 1.024 0.062 1.00 0.00 C ATOM 68 O GLU A 5 -10.638 1.193 1.194 1.00 0.00 O ATOM 69 CB GLU A 5 -13.028 -0.387 -0.571 1.00 0.00 C ATOM 70 CG GLU A 5 -14.524 -0.477 -0.855 1.00 0.00 C ATOM 71 CD GLU A 5 -15.372 -0.149 0.367 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.495 -1.046 1.229 1.00 0.00 O ATOM 73 OE2 GLU A 5 -15.894 0.985 0.413 1.00 0.00 O ATOM 0 H GLU A 5 -13.287 1.496 -2.144 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.148 1.389 0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.473 -0.737 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.776 -1.051 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.779 0.208 -1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.765 -1.482 -1.201 1.00 0.00 H new ATOM 80 N LEU A 6 -10.315 0.823 -1.004 1.00 0.00 N ATOM 81 CA LEU A 6 -8.866 0.730 -0.945 1.00 0.00 C ATOM 82 C LEU A 6 -8.309 2.091 -0.540 1.00 0.00 C ATOM 83 O LEU A 6 -7.334 2.165 0.201 1.00 0.00 O ATOM 84 CB LEU A 6 -8.304 0.188 -2.264 1.00 0.00 C ATOM 85 CG LEU A 6 -8.746 -1.267 -2.528 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.395 -1.663 -3.964 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.090 -2.269 -1.567 1.00 0.00 C ATOM 0 H LEU A 6 -10.689 0.719 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.550 0.012 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.635 0.822 -3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.215 0.237 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.823 -1.303 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.709 -2.691 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.907 -0.999 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.318 -1.582 -4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.437 -3.276 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.007 -2.224 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.360 -2.019 -0.541 1.00 0.00 H new ATOM 99 N LYS A 7 -8.935 3.177 -0.995 1.00 0.00 N ATOM 100 CA LYS A 7 -8.573 4.523 -0.586 1.00 0.00 C ATOM 101 C LYS A 7 -8.771 4.669 0.925 1.00 0.00 C ATOM 102 O LYS A 7 -7.903 5.197 1.613 1.00 0.00 O ATOM 103 CB LYS A 7 -9.413 5.532 -1.375 1.00 0.00 C ATOM 104 CG LYS A 7 -8.834 6.948 -1.250 1.00 0.00 C ATOM 105 CD LYS A 7 -9.698 7.953 -2.020 1.00 0.00 C ATOM 106 CE LYS A 7 -9.121 9.372 -1.936 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.094 9.881 -0.551 1.00 0.00 N ATOM 0 H LYS A 7 -9.708 3.142 -1.659 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.523 4.718 -0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.446 5.240 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.439 5.521 -1.008 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.782 7.234 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.815 6.966 -1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.768 7.649 -3.064 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.711 7.947 -1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.110 9.376 -2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.717 10.042 -2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.859 10.894 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.027 9.745 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.377 9.363 -0.005 1.00 0.00 H new ATOM 121 N GLY A 8 -9.904 4.192 1.448 1.00 0.00 N ATOM 122 CA GLY A 8 -10.214 4.247 2.866 1.00 0.00 C ATOM 123 C GLY A 8 -9.146 3.486 3.641 1.00 0.00 C ATOM 124 O GLY A 8 -8.560 4.009 4.582 1.00 0.00 O ATOM 0 H GLY A 8 -10.635 3.754 0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.255 5.283 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.196 3.812 3.053 1.00 0.00 H new ATOM 128 N ILE A 9 -8.885 2.245 3.232 1.00 0.00 N ATOM 129 CA ILE A 9 -7.877 1.378 3.829 1.00 0.00 C ATOM 130 C ILE A 9 -6.512 2.082 3.821 1.00 0.00 C ATOM 131 O ILE A 9 -5.852 2.189 4.853 1.00 0.00 O ATOM 132 CB ILE A 9 -7.875 0.049 3.054 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.177 -0.739 3.296 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.632 -0.794 3.346 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.176 -1.571 4.582 1.00 0.00 C ATOM 0 H ILE A 9 -9.382 1.806 2.457 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.103 1.163 4.873 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.833 0.296 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.012 -0.039 3.330 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.351 -1.401 2.448 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.679 -1.721 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.739 -0.237 3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.591 -1.025 4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.127 -2.094 4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.364 -2.298 4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.035 -0.914 5.440 1.00 0.00 H new ATOM 147 N PHE A 10 -6.091 2.571 2.653 1.00 0.00 N ATOM 148 CA PHE A 10 -4.839 3.291 2.477 1.00 0.00 C ATOM 149 C PHE A 10 -4.771 4.429 3.494 1.00 0.00 C ATOM 150 O PHE A 10 -3.820 4.520 4.259 1.00 0.00 O ATOM 151 CB PHE A 10 -4.756 3.851 1.049 1.00 0.00 C ATOM 152 CG PHE A 10 -3.584 4.781 0.809 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.674 6.115 1.250 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.324 4.257 0.473 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.534 6.739 1.771 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.171 5.007 0.758 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.275 6.177 1.528 1.00 0.00 C ATOM 0 H PHE A 10 -6.625 2.473 1.789 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.999 2.614 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.693 3.018 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.680 4.385 0.827 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.610 6.650 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.243 3.289 0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.625 7.644 2.354 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.209 4.685 0.387 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.387 6.641 1.931 1.00 0.00 H new ATOM 167 N GLU A 11 -5.789 5.293 3.491 1.00 0.00 N ATOM 168 CA GLU A 11 -5.871 6.447 4.369 1.00 0.00 C ATOM 169 C GLU A 11 -5.785 6.011 5.832 1.00 0.00 C ATOM 170 O GLU A 11 -5.072 6.625 6.618 1.00 0.00 O ATOM 171 CB GLU A 11 -7.158 7.222 4.061 1.00 0.00 C ATOM 172 CG GLU A 11 -7.157 8.610 4.713 1.00 0.00 C ATOM 173 CD GLU A 11 -8.385 9.412 4.292 1.00 0.00 C ATOM 174 OE1 GLU A 11 -8.456 9.755 3.092 1.00 0.00 O ATOM 175 OE2 GLU A 11 -9.236 9.658 5.175 1.00 0.00 O ATOM 0 H GLU A 11 -6.589 5.203 2.865 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.027 7.114 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.269 7.327 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.018 6.654 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.140 8.506 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.252 9.148 4.430 1.00 0.00 H new ATOM 182 N LYS A 12 -6.503 4.950 6.199 1.00 0.00 N ATOM 183 CA LYS A 12 -6.510 4.410 7.547 1.00 0.00 C ATOM 184 C LYS A 12 -5.084 4.053 7.970 1.00 0.00 C ATOM 185 O LYS A 12 -4.591 4.553 8.981 1.00 0.00 O ATOM 186 CB LYS A 12 -7.439 3.187 7.616 1.00 0.00 C ATOM 187 CG LYS A 12 -7.668 2.704 9.055 1.00 0.00 C ATOM 188 CD LYS A 12 -8.113 1.236 9.109 1.00 0.00 C ATOM 189 CE LYS A 12 -9.350 0.960 8.247 1.00 0.00 C ATOM 190 NZ LYS A 12 -9.807 -0.433 8.398 1.00 0.00 N ATOM 0 H LYS A 12 -7.104 4.437 5.553 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.890 5.160 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.398 3.437 7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.011 2.376 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.748 2.825 9.628 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.424 3.329 9.530 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.293 0.600 8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.327 0.964 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.153 1.641 8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.118 1.158 7.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.645 -0.590 7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.048 -1.081 8.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.050 -0.613 9.393 1.00 0.00 H new ATOM 204 N TYR A 13 -4.406 3.186 7.214 1.00 0.00 N ATOM 205 CA TYR A 13 -3.062 2.776 7.588 1.00 0.00 C ATOM 206 C TYR A 13 -2.102 3.966 7.530 1.00 0.00 C ATOM 207 O TYR A 13 -1.273 4.139 8.424 1.00 0.00 O ATOM 208 CB TYR A 13 -2.637 1.538 6.799 1.00 0.00 C ATOM 209 CG TYR A 13 -3.216 0.264 7.388 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.580 -0.022 7.201 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.406 -0.652 8.091 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.145 -1.188 7.737 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.992 -1.780 8.690 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.356 -2.055 8.505 1.00 0.00 C ATOM 215 OH TYR A 13 -4.892 -3.192 9.031 1.00 0.00 O ATOM 0 H TYR A 13 -4.762 2.764 6.356 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.038 2.455 8.630 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.961 1.639 5.763 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.549 1.471 6.788 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.198 0.663 6.639 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.341 -0.487 8.168 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.185 -1.417 7.559 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.389 -2.440 9.297 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.764 -3.364 8.618 1.00 0.00 H new ATOM 225 N ALA A 14 -2.214 4.819 6.508 1.00 0.00 N ATOM 226 CA ALA A 14 -1.388 6.014 6.434 1.00 0.00 C ATOM 227 C ALA A 14 -1.574 6.870 7.697 1.00 0.00 C ATOM 228 O ALA A 14 -0.609 7.364 8.274 1.00 0.00 O ATOM 229 CB ALA A 14 -1.732 6.780 5.160 1.00 0.00 C ATOM 0 H ALA A 14 -2.864 4.701 5.730 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.334 5.740 6.391 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.117 7.677 5.098 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.541 6.148 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.785 7.063 5.178 1.00 0.00 H new ATOM 235 N ALA A 15 -2.816 7.031 8.158 1.00 0.00 N ATOM 236 CA ALA A 15 -3.113 7.772 9.375 1.00 0.00 C ATOM 237 C ALA A 15 -2.446 7.074 10.564 1.00 0.00 C ATOM 238 O ALA A 15 -1.830 7.737 11.393 1.00 0.00 O ATOM 239 CB ALA A 15 -4.626 7.918 9.566 1.00 0.00 C ATOM 0 H ALA A 15 -3.641 6.650 7.695 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.709 8.782 9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.825 8.475 10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.050 8.453 8.716 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.081 6.930 9.636 1.00 0.00 H new ATOM 245 N LYS A 16 -2.553 5.741 10.647 1.00 0.00 N ATOM 246 CA LYS A 16 -1.900 4.943 11.687 1.00 0.00 C ATOM 247 C LYS A 16 -0.405 5.274 11.755 1.00 0.00 C ATOM 248 O LYS A 16 0.145 5.425 12.841 1.00 0.00 O ATOM 249 CB LYS A 16 -2.078 3.445 11.402 1.00 0.00 C ATOM 250 CG LYS A 16 -2.533 2.624 12.614 1.00 0.00 C ATOM 251 CD LYS A 16 -3.963 2.928 13.082 1.00 0.00 C ATOM 252 CE LYS A 16 -4.989 2.750 11.957 1.00 0.00 C ATOM 253 NZ LYS A 16 -6.364 2.819 12.483 1.00 0.00 N ATOM 0 H LYS A 16 -3.099 5.185 9.989 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.364 5.184 12.643 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.807 3.323 10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.133 3.041 11.038 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.461 1.565 12.368 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.846 2.807 13.440 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.219 2.271 13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.011 3.950 13.458 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.845 3.523 11.202 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.832 1.791 11.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.033 2.513 11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.451 2.195 13.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.580 3.797 12.762 1.00 0.00 H new ATOM 267 N GLU A 17 0.242 5.390 10.591 1.00 0.00 N ATOM 268 CA GLU A 17 1.655 5.740 10.522 1.00 0.00 C ATOM 269 C GLU A 17 1.822 7.175 11.021 1.00 0.00 C ATOM 270 O GLU A 17 2.640 7.441 11.896 1.00 0.00 O ATOM 271 CB GLU A 17 2.138 5.601 9.068 1.00 0.00 C ATOM 272 CG GLU A 17 3.463 6.316 8.762 1.00 0.00 C ATOM 273 CD GLU A 17 4.605 5.912 9.692 1.00 0.00 C ATOM 274 OE1 GLU A 17 4.717 4.697 9.964 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.373 6.819 10.076 1.00 0.00 O ATOM 0 H GLU A 17 -0.198 5.245 9.682 1.00 0.00 H new ATOM 0 HA GLU A 17 2.252 5.075 11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.250 4.542 8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.367 5.993 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.751 6.104 7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.310 7.393 8.834 1.00 0.00 H new ATOM 282 N GLY A 18 1.046 8.099 10.462 1.00 0.00 N ATOM 283 CA GLY A 18 1.071 9.495 10.857 1.00 0.00 C ATOM 284 C GLY A 18 0.532 10.362 9.733 1.00 0.00 C ATOM 285 O GLY A 18 -0.597 10.838 9.796 1.00 0.00 O ATOM 0 H GLY A 18 0.379 7.894 9.718 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.472 9.638 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.090 9.794 11.102 1.00 0.00 H new ATOM 289 N ASP A 19 1.343 10.576 8.695 1.00 0.00 N ATOM 290 CA ASP A 19 0.950 11.388 7.553 1.00 0.00 C ATOM 291 C ASP A 19 -0.170 10.645 6.814 1.00 0.00 C ATOM 292 O ASP A 19 0.103 9.584 6.258 1.00 0.00 O ATOM 293 CB ASP A 19 2.168 11.626 6.648 1.00 0.00 C ATOM 294 CG ASP A 19 1.869 12.594 5.504 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.751 12.505 4.949 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.768 13.409 5.204 1.00 0.00 O ATOM 0 H ASP A 19 2.285 10.191 8.627 1.00 0.00 H new ATOM 0 HA ASP A 19 0.584 12.365 7.868 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.990 12.019 7.247 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.501 10.674 6.236 1.00 0.00 H new ATOM 301 N PRO A 20 -1.413 11.160 6.775 1.00 0.00 N ATOM 302 CA PRO A 20 -2.526 10.460 6.152 1.00 0.00 C ATOM 303 C PRO A 20 -2.333 10.199 4.655 1.00 0.00 C ATOM 304 O PRO A 20 -3.081 9.411 4.085 1.00 0.00 O ATOM 305 CB PRO A 20 -3.771 11.306 6.438 1.00 0.00 C ATOM 306 CG PRO A 20 -3.206 12.708 6.657 1.00 0.00 C ATOM 307 CD PRO A 20 -1.861 12.429 7.328 1.00 0.00 C ATOM 0 HA PRO A 20 -2.617 9.459 6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.473 11.282 5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.307 10.947 7.317 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.085 13.247 5.717 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.856 13.312 7.290 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.145 13.224 7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.966 12.371 8.411 1.00 0.00 H new ATOM 315 N ASN A 21 -1.351 10.834 4.005 1.00 0.00 N ATOM 316 CA ASN A 21 -1.081 10.626 2.598 1.00 0.00 C ATOM 317 C ASN A 21 -0.018 9.542 2.383 1.00 0.00 C ATOM 318 O ASN A 21 0.048 9.019 1.274 1.00 0.00 O ATOM 319 CB ASN A 21 -0.661 11.959 1.971 1.00 0.00 C ATOM 320 CG ASN A 21 -0.260 11.784 0.514 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.094 11.611 -0.364 1.00 0.00 O ATOM 322 ND2 ASN A 21 1.029 11.822 0.227 1.00 0.00 N ATOM 0 H ASN A 21 -0.726 11.506 4.451 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.987 10.270 2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.483 12.671 2.041 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.174 12.380 2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.340 11.706 -0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.713 11.967 0.970 1.00 0.00 H new ATOM 329 N GLN A 22 0.801 9.181 3.388 1.00 0.00 N ATOM 330 CA GLN A 22 1.867 8.193 3.200 1.00 0.00 C ATOM 331 C GLN A 22 1.751 6.921 4.043 1.00 0.00 C ATOM 332 O GLN A 22 1.455 6.960 5.231 1.00 0.00 O ATOM 333 CB GLN A 22 3.260 8.761 3.497 1.00 0.00 C ATOM 334 CG GLN A 22 3.885 9.662 2.426 1.00 0.00 C ATOM 335 CD GLN A 22 3.726 11.114 2.842 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.969 11.873 2.250 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.433 11.518 3.883 1.00 0.00 N ATOM 0 H GLN A 22 0.742 9.560 4.333 1.00 0.00 H new ATOM 0 HA GLN A 22 1.740 7.936 2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.204 9.328 4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.937 7.925 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.940 9.420 2.301 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.403 9.492 1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.057 10.867 4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.355 12.481 4.210 1.00 0.00 H new ATOM 346 N LEU A 23 2.062 5.794 3.405 1.00 0.00 N ATOM 347 CA LEU A 23 2.169 4.471 4.004 1.00 0.00 C ATOM 348 C LEU A 23 3.659 4.201 4.195 1.00 0.00 C ATOM 349 O LEU A 23 4.354 4.013 3.204 1.00 0.00 O ATOM 350 CB LEU A 23 1.653 3.424 3.011 1.00 0.00 C ATOM 351 CG LEU A 23 0.161 3.124 3.088 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.170 2.123 1.971 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.273 2.524 4.422 1.00 0.00 C ATOM 0 H LEU A 23 2.256 5.782 2.404 1.00 0.00 H new ATOM 0 HA LEU A 23 1.605 4.423 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.886 3.761 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.201 2.496 3.172 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.373 4.068 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.234 1.886 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.080 2.561 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.409 1.211 2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.347 2.337 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.256 1.586 4.588 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.039 3.220 5.227 1.00 0.00 H new ATOM 365 N SER A 24 4.187 4.169 5.417 1.00 0.00 N ATOM 366 CA SER A 24 5.612 3.892 5.580 1.00 0.00 C ATOM 367 C SER A 24 5.926 2.458 5.148 1.00 0.00 C ATOM 368 O SER A 24 5.029 1.628 5.016 1.00 0.00 O ATOM 369 CB SER A 24 6.070 4.135 7.020 1.00 0.00 C ATOM 370 OG SER A 24 5.495 3.175 7.884 1.00 0.00 O ATOM 0 H SER A 24 3.670 4.326 6.282 1.00 0.00 H new ATOM 0 HA SER A 24 6.163 4.581 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.157 4.082 7.077 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.783 5.138 7.336 1.00 0.00 H new ATOM 0 HG SER A 24 5.071 3.629 8.642 1.00 0.00 H new ATOM 376 N LYS A 25 7.210 2.153 4.947 1.00 0.00 N ATOM 377 CA LYS A 25 7.660 0.808 4.626 1.00 0.00 C ATOM 378 C LYS A 25 7.117 -0.145 5.692 1.00 0.00 C ATOM 379 O LYS A 25 6.505 -1.169 5.398 1.00 0.00 O ATOM 380 CB LYS A 25 9.195 0.835 4.485 1.00 0.00 C ATOM 381 CG LYS A 25 9.924 -0.427 4.963 1.00 0.00 C ATOM 382 CD LYS A 25 11.451 -0.312 4.837 1.00 0.00 C ATOM 383 CE LYS A 25 11.906 -0.096 3.389 1.00 0.00 C ATOM 384 NZ LYS A 25 13.370 -0.182 3.259 1.00 0.00 N ATOM 0 H LYS A 25 7.964 2.837 5.004 1.00 0.00 H new ATOM 0 HA LYS A 25 7.278 0.440 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.443 1.002 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.579 1.689 5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.663 -0.621 6.003 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.579 -1.283 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.802 0.517 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.914 -1.218 5.229 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.439 -0.842 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.567 0.880 3.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.640 -0.031 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.815 0.546 3.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.691 -1.122 3.566 1.00 0.00 H new ATOM 398 N GLU A 26 7.336 0.245 6.943 1.00 0.00 N ATOM 399 CA GLU A 26 6.841 -0.470 8.107 1.00 0.00 C ATOM 400 C GLU A 26 5.316 -0.617 8.014 1.00 0.00 C ATOM 401 O GLU A 26 4.786 -1.710 8.179 1.00 0.00 O ATOM 402 CB GLU A 26 7.273 0.273 9.379 1.00 0.00 C ATOM 403 CG GLU A 26 6.913 -0.509 10.649 1.00 0.00 C ATOM 404 CD GLU A 26 7.420 0.205 11.896 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.632 0.068 12.171 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.593 0.884 12.540 1.00 0.00 O ATOM 0 H GLU A 26 7.872 1.081 7.177 1.00 0.00 H new ATOM 0 HA GLU A 26 7.265 -1.474 8.145 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.349 0.445 9.351 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.795 1.252 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.832 -0.631 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.344 -1.509 10.598 1.00 0.00 H new ATOM 413 N GLU A 27 4.597 0.476 7.750 1.00 0.00 N ATOM 414 CA GLU A 27 3.144 0.449 7.655 1.00 0.00 C ATOM 415 C GLU A 27 2.648 -0.520 6.579 1.00 0.00 C ATOM 416 O GLU A 27 1.686 -1.252 6.807 1.00 0.00 O ATOM 417 CB GLU A 27 2.615 1.865 7.400 1.00 0.00 C ATOM 418 CG GLU A 27 1.117 1.998 7.685 1.00 0.00 C ATOM 419 CD GLU A 27 0.759 1.849 9.163 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.583 2.268 10.006 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.337 1.310 9.425 1.00 0.00 O ATOM 0 H GLU A 27 5.007 1.398 7.598 1.00 0.00 H new ATOM 0 HA GLU A 27 2.756 0.084 8.606 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.163 2.571 8.024 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.809 2.139 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.774 2.971 7.333 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.578 1.244 7.112 1.00 0.00 H new ATOM 428 N LEU A 28 3.282 -0.532 5.402 1.00 0.00 N ATOM 429 CA LEU A 28 2.856 -1.423 4.332 1.00 0.00 C ATOM 430 C LEU A 28 2.794 -2.870 4.823 1.00 0.00 C ATOM 431 O LEU A 28 1.862 -3.593 4.486 1.00 0.00 O ATOM 432 CB LEU A 28 3.798 -1.297 3.126 1.00 0.00 C ATOM 433 CG LEU A 28 3.283 -2.058 1.888 1.00 0.00 C ATOM 434 CD1 LEU A 28 1.977 -1.469 1.335 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.332 -2.058 0.772 1.00 0.00 C ATOM 0 H LEU A 28 4.081 0.059 5.173 1.00 0.00 H new ATOM 0 HA LEU A 28 1.854 -1.131 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.921 -0.244 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.783 -1.677 3.398 1.00 0.00 H new ATOM 0 HG LEU A 28 3.087 -3.078 2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.659 -2.043 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.204 -1.515 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.140 -0.431 1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.946 -2.601 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.557 -1.031 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.242 -2.542 1.128 1.00 0.00 H new ATOM 447 N LYS A 29 3.775 -3.294 5.622 1.00 0.00 N ATOM 448 CA LYS A 29 3.831 -4.651 6.148 1.00 0.00 C ATOM 449 C LYS A 29 2.509 -5.027 6.827 1.00 0.00 C ATOM 450 O LYS A 29 1.779 -5.888 6.334 1.00 0.00 O ATOM 451 CB LYS A 29 5.022 -4.782 7.107 1.00 0.00 C ATOM 452 CG LYS A 29 5.102 -6.150 7.790 1.00 0.00 C ATOM 453 CD LYS A 29 5.244 -7.322 6.809 1.00 0.00 C ATOM 454 CE LYS A 29 6.539 -7.262 5.998 1.00 0.00 C ATOM 455 NZ LYS A 29 6.682 -8.444 5.130 1.00 0.00 N ATOM 0 H LYS A 29 4.551 -2.703 5.920 1.00 0.00 H new ATOM 0 HA LYS A 29 3.976 -5.351 5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.945 -4.605 6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.952 -4.006 7.870 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.951 -6.156 8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.206 -6.298 8.392 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.211 -8.260 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.393 -7.324 6.127 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.548 -6.358 5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.392 -7.199 6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.570 -8.375 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.697 -9.304 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.880 -8.489 4.469 1.00 0.00 H new ATOM 469 N LEU A 30 2.209 -4.386 7.959 1.00 0.00 N ATOM 470 CA LEU A 30 0.975 -4.627 8.703 1.00 0.00 C ATOM 471 C LEU A 30 -0.245 -4.527 7.784 1.00 0.00 C ATOM 472 O LEU A 30 -1.141 -5.368 7.845 1.00 0.00 O ATOM 473 CB LEU A 30 0.795 -3.717 9.929 1.00 0.00 C ATOM 474 CG LEU A 30 1.649 -2.449 10.025 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.921 -1.410 10.888 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.014 -2.716 10.660 1.00 0.00 C ATOM 0 H LEU A 30 2.816 -3.685 8.384 1.00 0.00 H new ATOM 0 HA LEU A 30 1.061 -5.643 9.089 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.252 -3.416 9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.989 -4.316 10.819 1.00 0.00 H new ATOM 0 HG LEU A 30 1.804 -2.088 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.527 -0.506 10.958 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.040 -1.168 10.434 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.758 -1.816 11.886 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.582 -1.787 10.706 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.876 -3.107 11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.558 -3.445 10.059 1.00 0.00 H new ATOM 488 N LEU A 31 -0.280 -3.498 6.938 1.00 0.00 N ATOM 489 CA LEU A 31 -1.361 -3.295 5.983 1.00 0.00 C ATOM 490 C LEU A 31 -1.615 -4.564 5.176 1.00 0.00 C ATOM 491 O LEU A 31 -2.715 -5.113 5.190 1.00 0.00 O ATOM 492 CB LEU A 31 -1.017 -2.137 5.038 1.00 0.00 C ATOM 493 CG LEU A 31 -2.236 -1.420 4.452 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.791 -0.545 3.287 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.370 -2.321 3.980 1.00 0.00 C ATOM 0 H LEU A 31 0.445 -2.781 6.898 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.267 -3.050 6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.408 -1.412 5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.407 -2.520 4.220 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.647 -0.840 5.278 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.656 -0.032 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.069 0.191 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.330 -1.167 2.520 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.180 -1.709 3.584 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.004 -2.988 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.738 -2.912 4.819 1.00 0.00 H new ATOM 507 N LEU A 32 -0.593 -5.031 4.462 1.00 0.00 N ATOM 508 CA LEU A 32 -0.727 -6.202 3.618 1.00 0.00 C ATOM 509 C LEU A 32 -1.088 -7.422 4.449 1.00 0.00 C ATOM 510 O LEU A 32 -1.971 -8.190 4.082 1.00 0.00 O ATOM 511 CB LEU A 32 0.543 -6.473 2.810 1.00 0.00 C ATOM 512 CG LEU A 32 0.893 -5.338 1.844 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.265 -5.614 1.222 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.144 -5.165 0.726 1.00 0.00 C ATOM 0 H LEU A 32 0.336 -4.611 4.456 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.532 -6.000 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.376 -6.629 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.417 -7.397 2.246 1.00 0.00 H new ATOM 0 HG LEU A 32 0.903 -4.413 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.521 -4.809 0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.017 -5.670 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.236 -6.560 0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.158 -4.346 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.211 -6.086 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.117 -4.940 1.164 1.00 0.00 H new ATOM 526 N GLN A 33 -0.407 -7.595 5.575 1.00 0.00 N ATOM 527 CA GLN A 33 -0.624 -8.715 6.457 1.00 0.00 C ATOM 528 C GLN A 33 -2.093 -8.812 6.881 1.00 0.00 C ATOM 529 O GLN A 33 -2.693 -9.881 6.827 1.00 0.00 O ATOM 530 CB GLN A 33 0.267 -8.493 7.674 1.00 0.00 C ATOM 531 CG GLN A 33 1.713 -8.952 7.472 1.00 0.00 C ATOM 532 CD GLN A 33 2.549 -8.683 8.723 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.295 -7.765 9.489 1.00 0.00 O ATOM 534 NE2 GLN A 33 3.578 -9.478 8.968 1.00 0.00 N ATOM 0 H GLN A 33 0.316 -6.951 5.897 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.380 -9.650 5.953 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.264 -7.433 7.926 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.158 -9.025 8.526 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.732 -10.017 7.239 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.149 -8.431 6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.793 -10.245 8.331 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.156 -9.324 9.794 1.00 0.00 H new ATOM 543 N THR A 34 -2.657 -7.689 7.320 1.00 0.00 N ATOM 544 CA THR A 34 -4.014 -7.622 7.838 1.00 0.00 C ATOM 545 C THR A 34 -5.088 -7.589 6.747 1.00 0.00 C ATOM 546 O THR A 34 -6.057 -8.339 6.822 1.00 0.00 O ATOM 547 CB THR A 34 -4.126 -6.403 8.769 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.012 -6.351 9.637 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.396 -6.459 9.624 1.00 0.00 C ATOM 0 H THR A 34 -2.175 -6.790 7.324 1.00 0.00 H new ATOM 0 HA THR A 34 -4.204 -8.541 8.392 1.00 0.00 H new ATOM 0 HB THR A 34 -4.162 -5.517 8.135 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.236 -5.999 9.153 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.440 -5.581 10.269 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.271 -6.476 8.975 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.382 -7.359 10.238 1.00 0.00 H new ATOM 557 N GLU A 35 -4.945 -6.709 5.753 1.00 0.00 N ATOM 558 CA GLU A 35 -5.956 -6.496 4.720 1.00 0.00 C ATOM 559 C GLU A 35 -5.745 -7.299 3.429 1.00 0.00 C ATOM 560 O GLU A 35 -6.690 -7.437 2.659 1.00 0.00 O ATOM 561 CB GLU A 35 -6.067 -4.992 4.416 1.00 0.00 C ATOM 562 CG GLU A 35 -6.122 -4.089 5.661 1.00 0.00 C ATOM 563 CD GLU A 35 -7.306 -4.354 6.585 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.365 -4.772 6.069 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.134 -4.091 7.796 1.00 0.00 O ATOM 0 H GLU A 35 -4.118 -6.122 5.644 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.891 -6.877 5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.215 -4.694 3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.963 -4.821 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.200 -4.217 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.156 -3.049 5.338 1.00 0.00 H new ATOM 572 N PHE A 36 -4.543 -7.826 3.170 1.00 0.00 N ATOM 573 CA PHE A 36 -4.231 -8.589 1.957 1.00 0.00 C ATOM 574 C PHE A 36 -3.630 -9.978 2.267 1.00 0.00 C ATOM 575 O PHE A 36 -2.704 -10.390 1.569 1.00 0.00 O ATOM 576 CB PHE A 36 -3.240 -7.763 1.109 1.00 0.00 C ATOM 577 CG PHE A 36 -3.760 -6.462 0.522 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.901 -5.317 1.329 1.00 0.00 C ATOM 579 CD2 PHE A 36 -3.954 -6.351 -0.867 1.00 0.00 C ATOM 580 CE1 PHE A 36 -4.287 -4.090 0.762 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.282 -5.113 -1.440 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.462 -3.984 -0.628 1.00 0.00 C ATOM 0 H PHE A 36 -3.750 -7.733 3.805 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.159 -8.766 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.372 -7.534 1.728 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.890 -8.390 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.711 -5.382 2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.850 -7.223 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.449 -3.230 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.396 -5.029 -2.511 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.734 -3.037 -1.069 1.00 0.00 H new ATOM 592 N PRO A 37 -4.112 -10.736 3.269 1.00 0.00 N ATOM 593 CA PRO A 37 -3.523 -12.023 3.622 1.00 0.00 C ATOM 594 C PRO A 37 -3.513 -12.996 2.441 1.00 0.00 C ATOM 595 O PRO A 37 -2.495 -13.615 2.150 1.00 0.00 O ATOM 596 CB PRO A 37 -4.326 -12.545 4.819 1.00 0.00 C ATOM 597 CG PRO A 37 -5.649 -11.785 4.740 1.00 0.00 C ATOM 598 CD PRO A 37 -5.231 -10.442 4.145 1.00 0.00 C ATOM 0 HA PRO A 37 -2.471 -11.916 3.888 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.481 -13.622 4.756 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.811 -12.351 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.374 -12.299 4.109 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.108 -11.668 5.722 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -6.052 -9.985 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.943 -9.739 4.927 1.00 0.00 H new ATOM 606 N SER A 38 -4.640 -13.133 1.746 1.00 0.00 N ATOM 607 CA SER A 38 -4.745 -14.015 0.598 1.00 0.00 C ATOM 608 C SER A 38 -3.897 -13.502 -0.570 1.00 0.00 C ATOM 609 O SER A 38 -3.158 -14.265 -1.186 1.00 0.00 O ATOM 610 CB SER A 38 -6.227 -14.171 0.254 1.00 0.00 C ATOM 611 OG SER A 38 -6.824 -12.890 0.165 1.00 0.00 O ATOM 0 H SER A 38 -5.502 -12.634 1.967 1.00 0.00 H new ATOM 0 HA SER A 38 -4.342 -15.001 0.829 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.339 -14.703 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.729 -14.766 1.017 1.00 0.00 H new ATOM 0 HG SER A 38 -7.774 -12.986 -0.057 1.00 0.00 H new ATOM 617 N LEU A 39 -3.982 -12.208 -0.887 1.00 0.00 N ATOM 618 CA LEU A 39 -3.260 -11.581 -1.965 1.00 0.00 C ATOM 619 C LEU A 39 -1.747 -11.748 -1.792 1.00 0.00 C ATOM 620 O LEU A 39 -1.023 -11.778 -2.783 1.00 0.00 O ATOM 621 CB LEU A 39 -3.721 -10.128 -1.962 1.00 0.00 C ATOM 622 CG LEU A 39 -5.106 -9.900 -2.588 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.065 -10.015 -4.117 1.00 0.00 C ATOM 624 CD2 LEU A 39 -6.255 -10.750 -2.036 1.00 0.00 C ATOM 0 H LEU A 39 -4.579 -11.558 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.466 -12.039 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.737 -9.767 -0.934 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.989 -9.526 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.340 -8.879 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.063 -9.847 -4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.380 -9.269 -4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.722 -11.011 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.178 -10.497 -2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.031 -11.806 -2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.374 -10.553 -0.971 1.00 0.00 H new ATOM 636 N LEU A 40 -1.254 -11.883 -0.555 1.00 0.00 N ATOM 637 CA LEU A 40 0.164 -12.128 -0.312 1.00 0.00 C ATOM 638 C LEU A 40 0.641 -13.483 -0.859 1.00 0.00 C ATOM 639 O LEU A 40 1.841 -13.745 -0.817 1.00 0.00 O ATOM 640 CB LEU A 40 0.501 -11.995 1.183 1.00 0.00 C ATOM 641 CG LEU A 40 0.583 -10.543 1.677 1.00 0.00 C ATOM 642 CD1 LEU A 40 0.862 -10.543 3.184 1.00 0.00 C ATOM 643 CD2 LEU A 40 1.669 -9.761 0.933 1.00 0.00 C ATOM 0 H LEU A 40 -1.821 -11.826 0.291 1.00 0.00 H new ATOM 0 HA LEU A 40 0.706 -11.359 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.255 -12.524 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.454 -12.488 1.376 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.368 -10.050 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.922 -9.516 3.543 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.057 -11.062 3.703 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.806 -11.051 3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.701 -8.737 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.636 -10.237 1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.444 -9.751 -0.134 1.00 0.00 H new ATOM 655 N LYS A 41 -0.241 -14.348 -1.379 1.00 0.00 N ATOM 656 CA LYS A 41 0.146 -15.623 -1.977 1.00 0.00 C ATOM 657 C LYS A 41 0.842 -15.365 -3.324 1.00 0.00 C ATOM 658 O LYS A 41 0.296 -15.649 -4.387 1.00 0.00 O ATOM 659 CB LYS A 41 -1.091 -16.521 -2.146 1.00 0.00 C ATOM 660 CG LYS A 41 -1.688 -16.973 -0.803 1.00 0.00 C ATOM 661 CD LYS A 41 -0.962 -18.183 -0.189 1.00 0.00 C ATOM 662 CE LYS A 41 -1.587 -19.528 -0.589 1.00 0.00 C ATOM 663 NZ LYS A 41 -1.560 -19.760 -2.043 1.00 0.00 N ATOM 0 H LYS A 41 -1.247 -14.177 -1.394 1.00 0.00 H new ATOM 0 HA LYS A 41 0.846 -16.142 -1.323 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.850 -15.982 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.819 -17.399 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.652 -16.141 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.739 -17.224 -0.947 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.083 -18.168 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.973 -18.093 0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.053 -20.335 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.619 -19.562 -0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.900 -20.721 -2.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.175 -19.067 -2.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.586 -19.655 -2.393 1.00 0.00 H new ATOM 677 N GLY A 42 2.056 -14.821 -3.270 1.00 0.00 N ATOM 678 CA GLY A 42 2.902 -14.491 -4.403 1.00 0.00 C ATOM 679 C GLY A 42 4.365 -14.634 -3.987 1.00 0.00 C ATOM 680 O GLY A 42 4.668 -15.356 -3.042 1.00 0.00 O ATOM 0 H GLY A 42 2.496 -14.587 -2.380 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.683 -15.151 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.703 -13.473 -4.738 1.00 0.00 H new ATOM 684 N GLY A 43 5.276 -13.947 -4.683 1.00 0.00 N ATOM 685 CA GLY A 43 6.703 -14.005 -4.400 1.00 0.00 C ATOM 686 C GLY A 43 7.363 -12.656 -4.665 1.00 0.00 C ATOM 687 O GLY A 43 7.690 -12.340 -5.803 1.00 0.00 O ATOM 0 H GLY A 43 5.037 -13.333 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.861 -14.294 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.170 -14.771 -5.019 1.00 0.00 H new ATOM 691 N SER A 44 7.560 -11.855 -3.616 1.00 0.00 N ATOM 692 CA SER A 44 8.208 -10.555 -3.681 1.00 0.00 C ATOM 693 C SER A 44 8.601 -10.198 -2.248 1.00 0.00 C ATOM 694 O SER A 44 7.764 -10.295 -1.354 1.00 0.00 O ATOM 695 CB SER A 44 7.261 -9.510 -4.286 1.00 0.00 C ATOM 696 OG SER A 44 7.975 -8.331 -4.604 1.00 0.00 O ATOM 0 H SER A 44 7.262 -12.105 -2.673 1.00 0.00 H new ATOM 0 HA SER A 44 9.088 -10.577 -4.324 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.790 -9.912 -5.183 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.462 -9.281 -3.581 1.00 0.00 H new ATOM 0 HG SER A 44 7.362 -7.672 -4.991 1.00 0.00 H new ATOM 702 N THR A 45 9.855 -9.815 -2.013 1.00 0.00 N ATOM 703 CA THR A 45 10.339 -9.478 -0.687 1.00 0.00 C ATOM 704 C THR A 45 9.959 -8.036 -0.337 1.00 0.00 C ATOM 705 O THR A 45 9.733 -7.213 -1.222 1.00 0.00 O ATOM 706 CB THR A 45 11.853 -9.714 -0.657 1.00 0.00 C ATOM 707 OG1 THR A 45 12.428 -9.178 -1.829 1.00 0.00 O ATOM 708 CG2 THR A 45 12.165 -11.213 -0.625 1.00 0.00 C ATOM 0 H THR A 45 10.562 -9.731 -2.744 1.00 0.00 H new ATOM 0 HA THR A 45 9.876 -10.110 0.071 1.00 0.00 H new ATOM 0 HB THR A 45 12.258 -9.235 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.036 -8.447 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.245 -11.360 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.721 -11.658 0.265 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.751 -11.690 -1.514 1.00 0.00 H new ATOM 716 N LEU A 46 9.892 -7.736 0.967 1.00 0.00 N ATOM 717 CA LEU A 46 9.540 -6.431 1.519 1.00 0.00 C ATOM 718 C LEU A 46 10.249 -5.317 0.764 1.00 0.00 C ATOM 719 O LEU A 46 9.610 -4.382 0.298 1.00 0.00 O ATOM 720 CB LEU A 46 9.907 -6.412 3.016 1.00 0.00 C ATOM 721 CG LEU A 46 9.636 -5.098 3.784 1.00 0.00 C ATOM 722 CD1 LEU A 46 9.753 -5.395 5.284 1.00 0.00 C ATOM 723 CD2 LEU A 46 10.640 -3.977 3.474 1.00 0.00 C ATOM 0 H LEU A 46 10.090 -8.427 1.691 1.00 0.00 H new ATOM 0 HA LEU A 46 8.469 -6.262 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.358 -7.214 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.967 -6.647 3.109 1.00 0.00 H new ATOM 0 HG LEU A 46 8.647 -4.755 3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.566 -4.483 5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.021 -6.152 5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.756 -5.761 5.505 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.383 -3.089 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.645 -4.305 3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.605 -3.741 2.410 1.00 0.00 H new ATOM 735 N ASP A 47 11.572 -5.432 0.662 1.00 0.00 N ATOM 736 CA ASP A 47 12.448 -4.459 0.040 1.00 0.00 C ATOM 737 C ASP A 47 11.999 -4.268 -1.396 1.00 0.00 C ATOM 738 O ASP A 47 11.529 -3.200 -1.734 1.00 0.00 O ATOM 739 CB ASP A 47 13.931 -4.873 0.082 1.00 0.00 C ATOM 740 CG ASP A 47 14.160 -6.372 0.241 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.744 -7.102 -0.685 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.690 -6.768 1.300 1.00 0.00 O ATOM 0 H ASP A 47 12.076 -6.240 1.027 1.00 0.00 H new ATOM 0 HA ASP A 47 12.377 -3.527 0.601 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.416 -4.539 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.418 -4.353 0.907 1.00 0.00 H new ATOM 747 N GLU A 48 12.138 -5.292 -2.235 1.00 0.00 N ATOM 748 CA GLU A 48 11.755 -5.232 -3.639 1.00 0.00 C ATOM 749 C GLU A 48 10.375 -4.591 -3.823 1.00 0.00 C ATOM 750 O GLU A 48 10.209 -3.646 -4.592 1.00 0.00 O ATOM 751 CB GLU A 48 11.782 -6.653 -4.221 1.00 0.00 C ATOM 752 CG GLU A 48 13.199 -7.247 -4.230 1.00 0.00 C ATOM 753 CD GLU A 48 14.145 -6.473 -5.142 1.00 0.00 C ATOM 754 OE1 GLU A 48 13.990 -6.618 -6.373 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.998 -5.746 -4.589 1.00 0.00 O ATOM 0 H GLU A 48 12.523 -6.194 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 48 12.467 -4.602 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.124 -7.296 -3.637 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.390 -6.635 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.596 -7.248 -3.215 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.153 -8.286 -4.556 1.00 0.00 H new ATOM 762 N LEU A 49 9.386 -5.114 -3.104 1.00 0.00 N ATOM 763 CA LEU A 49 8.013 -4.659 -3.178 1.00 0.00 C ATOM 764 C LEU A 49 7.873 -3.186 -2.810 1.00 0.00 C ATOM 765 O LEU A 49 7.447 -2.372 -3.628 1.00 0.00 O ATOM 766 CB LEU A 49 7.158 -5.580 -2.296 1.00 0.00 C ATOM 767 CG LEU A 49 5.706 -5.119 -2.145 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.982 -5.053 -3.496 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.966 -6.094 -1.224 1.00 0.00 C ATOM 0 H LEU A 49 9.525 -5.879 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 49 7.658 -4.721 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.168 -6.584 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.613 -5.646 -1.308 1.00 0.00 H new ATOM 0 HG LEU A 49 5.713 -4.115 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.955 -4.722 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.496 -4.349 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.979 -6.041 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.931 -5.773 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.991 -7.094 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.450 -6.110 -0.247 1.00 0.00 H new ATOM 781 N PHE A 50 8.230 -2.830 -1.578 1.00 0.00 N ATOM 782 CA PHE A 50 8.133 -1.476 -1.096 1.00 0.00 C ATOM 783 C PHE A 50 8.969 -0.562 -1.982 1.00 0.00 C ATOM 784 O PHE A 50 8.573 0.568 -2.223 1.00 0.00 O ATOM 785 CB PHE A 50 8.628 -1.446 0.352 1.00 0.00 C ATOM 786 CG PHE A 50 8.925 -0.053 0.832 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.888 0.782 1.270 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.194 0.479 0.558 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.159 2.136 1.533 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.443 1.847 0.746 1.00 0.00 C ATOM 791 CZ PHE A 50 9.433 2.670 1.272 1.00 0.00 C ATOM 0 H PHE A 50 8.596 -3.487 -0.889 1.00 0.00 H new ATOM 0 HA PHE A 50 7.102 -1.125 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.875 -1.897 0.999 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.528 -2.055 0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.891 0.389 1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.982 -0.167 0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.384 2.770 1.938 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.405 2.265 0.488 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.635 3.711 1.475 1.00 0.00 H new ATOM 801 N GLU A 51 10.118 -1.025 -2.473 1.00 0.00 N ATOM 802 CA GLU A 51 10.976 -0.188 -3.303 1.00 0.00 C ATOM 803 C GLU A 51 10.290 0.100 -4.632 1.00 0.00 C ATOM 804 O GLU A 51 10.329 1.235 -5.097 1.00 0.00 O ATOM 805 CB GLU A 51 12.372 -0.794 -3.497 1.00 0.00 C ATOM 806 CG GLU A 51 13.241 -0.698 -2.230 1.00 0.00 C ATOM 807 CD GLU A 51 13.574 0.737 -1.830 1.00 0.00 C ATOM 808 OE1 GLU A 51 13.973 1.506 -2.730 1.00 0.00 O ATOM 809 OE2 GLU A 51 13.433 1.033 -0.623 1.00 0.00 O ATOM 0 H GLU A 51 10.472 -1.968 -2.311 1.00 0.00 H new ATOM 0 HA GLU A 51 11.132 0.757 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.273 -1.840 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.875 -0.283 -4.318 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.722 -1.186 -1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.169 -1.247 -2.392 1.00 0.00 H new ATOM 816 N GLU A 52 9.638 -0.900 -5.236 1.00 0.00 N ATOM 817 CA GLU A 52 8.901 -0.672 -6.470 1.00 0.00 C ATOM 818 C GLU A 52 7.833 0.374 -6.165 1.00 0.00 C ATOM 819 O GLU A 52 7.625 1.326 -6.909 1.00 0.00 O ATOM 820 CB GLU A 52 8.265 -1.991 -6.940 1.00 0.00 C ATOM 821 CG GLU A 52 7.131 -1.793 -7.963 1.00 0.00 C ATOM 822 CD GLU A 52 7.573 -1.049 -9.223 1.00 0.00 C ATOM 823 OE1 GLU A 52 8.703 -1.320 -9.681 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.759 -0.237 -9.714 1.00 0.00 O ATOM 0 H GLU A 52 9.609 -1.860 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 52 9.554 -0.319 -7.268 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.037 -2.621 -7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.874 -2.526 -6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.733 -2.767 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.318 -1.242 -7.491 1.00 0.00 H new ATOM 831 N LEU A 53 7.148 0.161 -5.046 1.00 0.00 N ATOM 832 CA LEU A 53 6.077 1.009 -4.575 1.00 0.00 C ATOM 833 C LEU A 53 6.525 2.432 -4.225 1.00 0.00 C ATOM 834 O LEU A 53 5.790 3.371 -4.498 1.00 0.00 O ATOM 835 CB LEU A 53 5.402 0.298 -3.397 1.00 0.00 C ATOM 836 CG LEU A 53 4.293 -0.626 -3.912 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.005 -1.688 -2.856 1.00 0.00 C ATOM 838 CD2 LEU A 53 3.012 0.153 -4.239 1.00 0.00 C ATOM 0 H LEU A 53 7.334 -0.631 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 53 5.362 1.156 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.139 -0.280 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.985 1.033 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 53 4.633 -1.095 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.217 -2.351 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.909 -2.267 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.683 -1.206 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.249 -0.536 -4.601 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.651 0.654 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.224 0.896 -5.008 1.00 0.00 H new ATOM 850 N ASP A 54 7.700 2.639 -3.630 1.00 0.00 N ATOM 851 CA ASP A 54 8.195 3.954 -3.237 1.00 0.00 C ATOM 852 C ASP A 54 8.742 4.671 -4.476 1.00 0.00 C ATOM 853 O ASP A 54 9.908 5.057 -4.519 1.00 0.00 O ATOM 854 CB ASP A 54 9.264 3.777 -2.141 1.00 0.00 C ATOM 855 CG ASP A 54 9.739 5.095 -1.527 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.181 6.152 -1.892 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.667 5.044 -0.690 1.00 0.00 O ATOM 0 H ASP A 54 8.345 1.882 -3.404 1.00 0.00 H new ATOM 0 HA ASP A 54 7.396 4.570 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.861 3.143 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.122 3.253 -2.563 1.00 0.00 H new ATOM 862 N LYS A 55 7.895 4.854 -5.492 1.00 0.00 N ATOM 863 CA LYS A 55 8.284 5.450 -6.764 1.00 0.00 C ATOM 864 C LYS A 55 8.857 6.850 -6.561 1.00 0.00 C ATOM 865 O LYS A 55 9.841 7.222 -7.192 1.00 0.00 O ATOM 866 CB LYS A 55 7.101 5.458 -7.745 1.00 0.00 C ATOM 867 CG LYS A 55 6.623 4.031 -8.047 1.00 0.00 C ATOM 868 CD LYS A 55 5.406 3.986 -8.978 1.00 0.00 C ATOM 869 CE LYS A 55 5.718 4.510 -10.383 1.00 0.00 C ATOM 870 NZ LYS A 55 4.578 4.304 -11.292 1.00 0.00 N ATOM 0 H LYS A 55 6.911 4.589 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 55 9.072 4.838 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.280 6.038 -7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.397 5.949 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.440 3.469 -8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.374 3.532 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.046 2.960 -9.049 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.600 4.578 -8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.960 5.572 -10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.598 4.001 -10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.817 4.668 -12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.364 3.288 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.746 4.810 -10.926 1.00 0.00 H new ATOM 884 N ASN A 56 8.238 7.629 -5.675 1.00 0.00 N ATOM 885 CA ASN A 56 8.681 8.981 -5.373 1.00 0.00 C ATOM 886 C ASN A 56 9.932 9.005 -4.486 1.00 0.00 C ATOM 887 O ASN A 56 10.517 10.071 -4.328 1.00 0.00 O ATOM 888 CB ASN A 56 7.534 9.825 -4.799 1.00 0.00 C ATOM 889 CG ASN A 56 7.155 9.469 -3.366 1.00 0.00 C ATOM 890 OD1 ASN A 56 7.497 8.415 -2.850 1.00 0.00 O ATOM 891 ND2 ASN A 56 6.432 10.347 -2.688 1.00 0.00 N ATOM 0 H ASN A 56 7.415 7.336 -5.148 1.00 0.00 H new ATOM 0 HA ASN A 56 8.979 9.442 -6.315 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.817 10.877 -4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.657 9.707 -5.435 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.156 10.146 -1.727 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.151 11.224 -3.127 1.00 0.00 H new ATOM 898 N GLY A 57 10.360 7.871 -3.912 1.00 0.00 N ATOM 899 CA GLY A 57 11.551 7.799 -3.082 1.00 0.00 C ATOM 900 C GLY A 57 11.430 8.729 -1.883 1.00 0.00 C ATOM 901 O GLY A 57 12.234 9.648 -1.741 1.00 0.00 O ATOM 0 H GLY A 57 9.880 6.977 -4.017 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.700 6.775 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.427 8.069 -3.671 1.00 0.00 H new ATOM 905 N ASP A 58 10.437 8.500 -1.015 1.00 0.00 N ATOM 906 CA ASP A 58 10.203 9.354 0.150 1.00 0.00 C ATOM 907 C ASP A 58 10.312 8.570 1.455 1.00 0.00 C ATOM 908 O ASP A 58 9.987 9.094 2.517 1.00 0.00 O ATOM 909 CB ASP A 58 8.864 10.103 0.020 1.00 0.00 C ATOM 910 CG ASP A 58 7.619 9.228 0.144 1.00 0.00 C ATOM 911 OD1 ASP A 58 7.778 8.005 0.332 1.00 0.00 O ATOM 912 OD2 ASP A 58 6.512 9.803 0.042 1.00 0.00 O ATOM 0 H ASP A 58 9.780 7.724 -1.101 1.00 0.00 H new ATOM 0 HA ASP A 58 10.990 10.107 0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.823 10.878 0.786 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.840 10.608 -0.946 1.00 0.00 H new ATOM 917 N GLY A 59 10.750 7.311 1.387 1.00 0.00 N ATOM 918 CA GLY A 59 10.889 6.472 2.567 1.00 0.00 C ATOM 919 C GLY A 59 9.567 5.795 2.925 1.00 0.00 C ATOM 920 O GLY A 59 9.540 4.913 3.782 1.00 0.00 O ATOM 0 H GLY A 59 11.015 6.852 0.516 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.652 5.714 2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.230 7.076 3.408 1.00 0.00 H new ATOM 924 N GLU A 60 8.471 6.183 2.269 1.00 0.00 N ATOM 925 CA GLU A 60 7.157 5.621 2.446 1.00 0.00 C ATOM 926 C GLU A 60 6.614 5.243 1.058 1.00 0.00 C ATOM 927 O GLU A 60 7.356 5.121 0.092 1.00 0.00 O ATOM 928 CB GLU A 60 6.302 6.691 3.145 1.00 0.00 C ATOM 929 CG GLU A 60 7.007 7.335 4.353 1.00 0.00 C ATOM 930 CD GLU A 60 6.041 8.157 5.199 1.00 0.00 C ATOM 931 OE1 GLU A 60 5.376 7.534 6.054 1.00 0.00 O ATOM 932 OE2 GLU A 60 5.964 9.384 4.960 1.00 0.00 O ATOM 0 H GLU A 60 8.490 6.929 1.574 1.00 0.00 H new ATOM 0 HA GLU A 60 7.153 4.719 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.044 7.468 2.426 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.366 6.240 3.476 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.458 6.556 4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.818 7.974 4.003 1.00 0.00 H new ATOM 939 N VAL A 61 5.306 5.074 0.971 1.00 0.00 N ATOM 940 CA VAL A 61 4.485 4.815 -0.196 1.00 0.00 C ATOM 941 C VAL A 61 3.356 5.835 -0.012 1.00 0.00 C ATOM 942 O VAL A 61 3.284 6.474 1.033 1.00 0.00 O ATOM 943 CB VAL A 61 3.973 3.353 -0.185 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.175 2.974 -1.441 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.139 2.372 -0.050 1.00 0.00 C ATOM 0 H VAL A 61 4.731 5.121 1.812 1.00 0.00 H new ATOM 0 HA VAL A 61 4.999 4.917 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 61 3.305 3.288 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.848 1.937 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.304 3.624 -1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.806 3.092 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.757 1.351 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.821 2.500 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.671 2.565 0.881 1.00 0.00 H new ATOM 955 N SER A 62 2.455 6.012 -0.968 1.00 0.00 N ATOM 956 CA SER A 62 1.324 6.918 -0.841 1.00 0.00 C ATOM 957 C SER A 62 0.229 6.372 -1.739 1.00 0.00 C ATOM 958 O SER A 62 0.499 5.466 -2.528 1.00 0.00 O ATOM 959 CB SER A 62 1.686 8.360 -1.208 1.00 0.00 C ATOM 960 OG SER A 62 1.973 8.452 -2.582 1.00 0.00 O ATOM 0 H SER A 62 2.490 5.525 -1.863 1.00 0.00 H new ATOM 0 HA SER A 62 0.994 6.964 0.197 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.861 9.026 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.548 8.686 -0.626 1.00 0.00 H new ATOM 0 HG SER A 62 2.895 8.160 -2.744 1.00 0.00 H new ATOM 966 N PHE A 63 -0.989 6.903 -1.629 1.00 0.00 N ATOM 967 CA PHE A 63 -2.092 6.449 -2.459 1.00 0.00 C ATOM 968 C PHE A 63 -1.685 6.483 -3.932 1.00 0.00 C ATOM 969 O PHE A 63 -1.986 5.550 -4.670 1.00 0.00 O ATOM 970 CB PHE A 63 -3.373 7.202 -2.129 1.00 0.00 C ATOM 971 CG PHE A 63 -4.587 6.764 -2.925 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.342 5.666 -2.474 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.875 7.341 -4.176 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.444 5.213 -3.221 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.954 6.860 -4.941 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.793 5.859 -4.417 1.00 0.00 C ATOM 0 H PHE A 63 -1.231 7.646 -0.973 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.323 5.407 -2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.588 7.079 -1.067 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.208 8.266 -2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.075 5.170 -1.553 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.268 8.153 -4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.021 4.369 -2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.138 7.258 -5.928 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.702 5.589 -4.933 1.00 0.00 H new ATOM 986 N GLU A 64 -0.970 7.543 -4.325 1.00 0.00 N ATOM 987 CA GLU A 64 -0.443 7.760 -5.665 1.00 0.00 C ATOM 988 C GLU A 64 0.204 6.476 -6.198 1.00 0.00 C ATOM 989 O GLU A 64 -0.330 5.819 -7.090 1.00 0.00 O ATOM 990 CB GLU A 64 0.565 8.926 -5.614 1.00 0.00 C ATOM 991 CG GLU A 64 0.899 9.449 -7.016 1.00 0.00 C ATOM 992 CD GLU A 64 1.963 10.539 -6.954 1.00 0.00 C ATOM 993 OE1 GLU A 64 1.585 11.682 -6.616 1.00 0.00 O ATOM 994 OE2 GLU A 64 3.135 10.207 -7.238 1.00 0.00 O ATOM 0 H GLU A 64 -0.736 8.302 -3.686 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.250 8.020 -6.350 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.154 9.736 -5.012 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.479 8.595 -5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.251 8.628 -7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.003 9.842 -7.486 1.00 0.00 H new ATOM 1001 N GLU A 65 1.362 6.115 -5.640 1.00 0.00 N ATOM 1002 CA GLU A 65 2.099 4.926 -6.042 1.00 0.00 C ATOM 1003 C GLU A 65 1.241 3.684 -5.801 1.00 0.00 C ATOM 1004 O GLU A 65 1.221 2.775 -6.626 1.00 0.00 O ATOM 1005 CB GLU A 65 3.417 4.742 -5.271 1.00 0.00 C ATOM 1006 CG GLU A 65 3.748 5.721 -4.137 1.00 0.00 C ATOM 1007 CD GLU A 65 4.522 6.955 -4.578 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.702 6.788 -4.952 1.00 0.00 O ATOM 1009 OE2 GLU A 65 3.926 8.048 -4.494 1.00 0.00 O ATOM 0 H GLU A 65 1.812 6.645 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 65 2.337 5.056 -7.098 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.417 3.736 -4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.232 4.785 -5.994 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.818 6.039 -3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.327 5.196 -3.377 1.00 0.00 H new ATOM 1016 N PHE A 66 0.545 3.636 -4.660 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.291 2.502 -4.287 1.00 0.00 C ATOM 1018 C PHE A 66 -1.266 2.110 -5.402 1.00 0.00 C ATOM 1019 O PHE A 66 -1.601 0.930 -5.508 1.00 0.00 O ATOM 1020 CB PHE A 66 -0.968 2.798 -2.947 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.094 1.875 -2.538 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.839 0.518 -2.278 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.401 2.378 -2.414 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.907 -0.351 -1.998 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.452 1.526 -2.036 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.207 0.157 -1.841 1.00 0.00 C ATOM 0 H PHE A 66 0.549 4.388 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 66 0.333 1.618 -4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.206 2.772 -2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.357 3.816 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.826 0.144 -2.293 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.597 3.422 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.728 -1.412 -1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.447 1.923 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.017 -0.504 -1.571 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.700 3.045 -6.263 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.566 2.669 -7.381 1.00 0.00 C ATOM 1038 C GLN A 67 -1.955 1.552 -8.235 1.00 0.00 C ATOM 1039 O GLN A 67 -2.683 0.749 -8.812 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.091 3.861 -8.202 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.734 4.959 -7.356 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.732 4.342 -6.388 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.867 4.048 -6.738 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.319 4.120 -5.154 1.00 0.00 N ATOM 0 H GLN A 67 -1.471 4.037 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.465 2.250 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.266 4.290 -8.770 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.821 3.498 -8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.967 5.503 -6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.236 5.681 -8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.369 4.372 -4.881 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.950 3.696 -4.474 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.624 1.461 -8.291 1.00 0.00 N ATOM 1054 CA VAL A 68 0.041 0.381 -9.001 1.00 0.00 C ATOM 1055 C VAL A 68 -0.390 -0.946 -8.364 1.00 0.00 C ATOM 1056 O VAL A 68 -0.686 -1.899 -9.075 1.00 0.00 O ATOM 1057 CB VAL A 68 1.567 0.576 -8.988 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.287 -0.601 -9.660 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.946 1.864 -9.733 1.00 0.00 C ATOM 0 H VAL A 68 0.010 2.127 -7.850 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.251 0.376 -10.051 1.00 0.00 H new ATOM 0 HB VAL A 68 1.876 0.637 -7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.363 -0.432 -9.634 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.052 -1.523 -9.128 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.958 -0.685 -10.696 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.029 1.989 -9.716 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.604 1.801 -10.766 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.474 2.718 -9.247 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.462 -1.026 -7.032 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.890 -2.252 -6.370 1.00 0.00 C ATOM 1071 C LEU A 69 -2.401 -2.421 -6.537 1.00 0.00 C ATOM 1072 O LEU A 69 -2.863 -3.536 -6.773 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.461 -2.287 -4.905 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.606 -3.729 -4.386 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.750 -4.312 -3.997 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -1.632 -3.803 -3.262 1.00 0.00 C ATOM 0 H LEU A 69 -0.230 -0.260 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.395 -3.099 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.571 -1.951 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.076 -1.608 -4.314 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.987 -4.353 -5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.617 -5.331 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.406 -4.319 -4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.196 -3.702 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.716 -4.832 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.315 -3.165 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.601 -3.465 -3.631 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.175 -1.329 -6.444 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.619 -1.383 -6.702 1.00 0.00 C ATOM 1090 C VAL A 70 -4.842 -2.023 -8.077 1.00 0.00 C ATOM 1091 O VAL A 70 -5.796 -2.768 -8.274 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.281 0.004 -6.615 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.773 -0.065 -6.969 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.136 0.594 -5.206 1.00 0.00 C ATOM 0 H VAL A 70 -2.826 -0.404 -6.193 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.094 -1.988 -5.929 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.771 0.644 -7.335 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.210 0.931 -6.898 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.889 -0.440 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.281 -0.735 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.612 1.574 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.614 -0.068 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.079 0.695 -4.961 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.957 -1.756 -9.037 1.00 0.00 N ATOM 1105 CA LYS A 71 -4.011 -2.402 -10.325 1.00 0.00 C ATOM 1106 C LYS A 71 -3.483 -3.841 -10.194 1.00 0.00 C ATOM 1107 O LYS A 71 -4.080 -4.763 -10.749 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.212 -1.569 -11.342 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.227 -2.149 -12.764 1.00 0.00 C ATOM 1110 CD LYS A 71 -4.641 -2.376 -13.316 1.00 0.00 C ATOM 1111 CE LYS A 71 -5.513 -1.112 -13.344 1.00 0.00 C ATOM 1112 NZ LYS A 71 -4.883 -0.023 -14.112 1.00 0.00 N ATOM 0 H LYS A 71 -3.192 -1.089 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.037 -2.464 -10.687 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.617 -0.557 -11.368 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.179 -1.490 -11.002 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.690 -1.473 -13.429 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.687 -3.096 -12.768 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.565 -2.775 -14.328 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.138 -3.134 -12.711 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.483 -1.350 -13.781 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.697 -0.776 -12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.533 0.787 -14.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.002 0.269 -13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.668 -0.356 -15.074 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.370 -4.064 -9.476 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.750 -5.372 -9.392 1.00 0.00 C ATOM 1128 C LYS A 72 -2.615 -6.459 -8.777 1.00 0.00 C ATOM 1129 O LYS A 72 -2.492 -7.630 -9.118 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.309 -5.286 -8.897 1.00 0.00 C ATOM 1131 CG LYS A 72 0.102 -6.037 -7.624 1.00 0.00 C ATOM 1132 CD LYS A 72 0.322 -7.533 -7.889 1.00 0.00 C ATOM 1133 CE LYS A 72 1.328 -8.123 -6.895 1.00 0.00 C ATOM 1134 NZ LYS A 72 1.466 -9.579 -7.075 1.00 0.00 N ATOM 0 H LYS A 72 -1.887 -3.340 -8.945 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.670 -5.742 -10.414 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.334 -5.636 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.080 -4.232 -8.742 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.017 -5.600 -7.224 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.669 -5.912 -6.864 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.627 -8.064 -7.810 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.684 -7.677 -8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.298 -7.644 -7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.004 -7.909 -5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.153 -9.950 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.544 -10.036 -6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.798 -9.780 -8.040 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.526 -6.088 -7.888 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.446 -7.082 -7.339 1.00 0.00 C ATOM 1150 C ILE A 73 -5.267 -7.722 -8.471 1.00 0.00 C ATOM 1151 O ILE A 73 -5.717 -8.855 -8.337 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.391 -6.494 -6.293 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.019 -5.188 -6.772 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.685 -6.273 -4.952 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.431 -5.005 -6.226 1.00 0.00 C ATOM 0 H ILE A 73 -3.649 -5.138 -7.538 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.837 -7.837 -6.842 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.186 -7.225 -6.147 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.397 -4.349 -6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.046 -5.176 -7.862 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.390 -5.854 -4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.309 -7.225 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.853 -5.583 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.843 -4.064 -6.590 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.060 -5.830 -6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.401 -4.990 -5.137 1.00 0.00 H new ATOM 1167 N SER A 74 -5.429 -7.021 -9.599 1.00 0.00 N ATOM 1168 CA SER A 74 -6.108 -7.511 -10.785 1.00 0.00 C ATOM 1169 C SER A 74 -4.998 -7.854 -11.778 1.00 0.00 C ATOM 1170 O SER A 74 -5.063 -7.493 -12.951 1.00 0.00 O ATOM 1171 CB SER A 74 -7.038 -6.421 -11.326 1.00 0.00 C ATOM 1172 OG SER A 74 -7.958 -6.033 -10.324 1.00 0.00 O ATOM 0 H SER A 74 -5.078 -6.069 -9.706 1.00 0.00 H new ATOM 0 HA SER A 74 -6.729 -8.385 -10.588 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.454 -5.559 -11.649 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.574 -6.789 -12.201 1.00 0.00 H new ATOM 0 HG SER A 74 -8.549 -5.335 -10.675 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.950 -8.522 -11.294 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.764 -8.894 -12.047 1.00 0.00 C ATOM 1180 C GLN A 75 -2.150 -10.153 -11.435 1.00 0.00 C ATOM 1181 O GLN A 75 -2.649 -10.672 -10.437 1.00 0.00 O ATOM 1182 CB GLN A 75 -1.778 -7.712 -11.999 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.861 -7.619 -13.213 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.538 -7.005 -14.444 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -0.887 -6.770 -15.452 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.835 -6.724 -14.417 1.00 0.00 N ATOM 0 H GLN A 75 -3.909 -8.830 -10.322 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.011 -9.113 -13.086 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.343 -6.784 -11.912 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.167 -7.799 -11.101 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.013 -7.022 -12.953 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.502 -8.617 -13.465 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.382 -6.919 -13.578 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.285 -6.314 -15.235 1.00 0.00 H new TER 1195 GLN A 75