USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 575 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 39 HIS : no HE2:sc= 1.15 K(o=0.56,f=-4.5!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.592 K(o=0.56,f=-1.5) USER MOD Set 2.1: A 20 SER OG : rot -91:sc= 0.634 USER MOD Set 2.2: A 33 THR OG1 : rot 91:sc= 1.79 USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 0.433 (180deg=0.344) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0671 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 120:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.322 X(o=-0.32,f=-0.55) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 0.708 (180deg=0.51) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0808 F(o=-0.74,f=-0.081) USER MOD Single : A 55 THR OG1 : rot 16:sc= 0.6 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -87:sc= 1.27 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00658 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -152:sc= 0.309 USER MOD Single : A 80 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.489 -8.701 -11.423 1.00 0.00 N ATOM 66 CA LYS A 5 1.266 -8.993 -10.232 1.00 0.00 C ATOM 67 C LYS A 5 0.263 -9.256 -9.103 1.00 0.00 C ATOM 68 O LYS A 5 0.164 -8.521 -8.127 1.00 0.00 O ATOM 69 CB LYS A 5 2.332 -7.911 -9.994 1.00 0.00 C ATOM 70 CG LYS A 5 3.727 -8.303 -10.511 1.00 0.00 C ATOM 71 CD LYS A 5 4.749 -7.187 -10.248 1.00 0.00 C ATOM 72 CE LYS A 5 4.915 -6.282 -11.478 1.00 0.00 C ATOM 73 NZ LYS A 5 5.477 -4.969 -11.110 1.00 0.00 N ATOM 0 HA LYS A 5 1.875 -9.893 -10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.018 -6.988 -10.482 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.394 -7.701 -8.926 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.054 -9.222 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.677 -8.510 -11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.427 -6.590 -9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.711 -7.626 -9.985 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.567 -6.768 -12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.948 -6.143 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.781 -4.468 -11.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.753 -4.407 -10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.294 -5.105 -10.481 1.00 0.00 H new ATOM 87 N TYR A 6 -0.552 -10.296 -9.281 1.00 0.00 N ATOM 88 CA TYR A 6 -1.531 -10.694 -8.283 1.00 0.00 C ATOM 89 C TYR A 6 -0.815 -11.353 -7.101 1.00 0.00 C ATOM 90 O TYR A 6 -0.324 -12.471 -7.234 1.00 0.00 O ATOM 91 CB TYR A 6 -2.578 -11.613 -8.914 1.00 0.00 C ATOM 92 CG TYR A 6 -3.566 -10.883 -9.804 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.555 -10.064 -9.230 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.504 -11.021 -11.202 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.501 -9.421 -10.046 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.445 -10.373 -12.021 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.447 -9.576 -11.440 1.00 0.00 C ATOM 98 OH TYR A 6 -6.371 -8.956 -12.226 1.00 0.00 O ATOM 0 H TYR A 6 -0.549 -10.880 -10.117 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.059 -9.818 -7.905 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -2.071 -12.380 -9.500 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.124 -12.126 -8.122 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.587 -9.929 -8.159 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.730 -11.628 -11.649 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.270 -8.807 -9.600 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.398 -10.487 -13.094 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.193 -9.164 -13.167 1.00 0.00 H new ATOM 108 N TYR A 7 -0.744 -10.663 -5.960 1.00 0.00 N ATOM 109 CA TYR A 7 -0.019 -11.108 -4.776 1.00 0.00 C ATOM 110 C TYR A 7 -1.000 -11.551 -3.693 1.00 0.00 C ATOM 111 O TYR A 7 -2.051 -10.935 -3.513 1.00 0.00 O ATOM 112 CB TYR A 7 0.861 -9.967 -4.263 1.00 0.00 C ATOM 113 CG TYR A 7 2.038 -9.623 -5.154 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.055 -10.573 -5.362 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.162 -8.336 -5.710 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.168 -10.254 -6.157 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.298 -8.004 -6.466 1.00 0.00 C ATOM 118 CZ TYR A 7 4.284 -8.973 -6.717 1.00 0.00 C ATOM 119 OH TYR A 7 5.366 -8.657 -7.485 1.00 0.00 O ATOM 0 H TYR A 7 -1.201 -9.760 -5.835 1.00 0.00 H new ATOM 0 HA TYR A 7 0.612 -11.958 -5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.243 -9.077 -4.141 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.237 -10.233 -3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.979 -11.550 -4.909 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.383 -7.604 -5.555 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.934 -10.994 -6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.414 -7.003 -6.855 1.00 0.00 H new ATOM 0 HH TYR A 7 5.693 -9.463 -7.937 1.00 0.00 H new ATOM 129 N THR A 8 -0.669 -12.627 -2.977 1.00 0.00 N ATOM 130 CA THR A 8 -1.514 -13.188 -1.938 1.00 0.00 C ATOM 131 C THR A 8 -1.306 -12.457 -0.613 1.00 0.00 C ATOM 132 O THR A 8 -0.268 -11.835 -0.375 1.00 0.00 O ATOM 133 CB THR A 8 -1.164 -14.676 -1.781 1.00 0.00 C ATOM 134 OG1 THR A 8 0.242 -14.800 -1.706 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.674 -15.499 -2.965 1.00 0.00 C ATOM 0 H THR A 8 0.206 -13.135 -3.109 1.00 0.00 H new ATOM 0 HA THR A 8 -2.561 -13.074 -2.219 1.00 0.00 H new ATOM 0 HB THR A 8 -1.641 -15.053 -0.876 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.482 -15.745 -1.604 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.409 -16.546 -2.821 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.758 -15.405 -3.034 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.219 -15.133 -3.885 1.00 0.00 H new ATOM 143 N LEU A 9 -2.301 -12.574 0.271 1.00 0.00 N ATOM 144 CA LEU A 9 -2.303 -11.941 1.574 1.00 0.00 C ATOM 145 C LEU A 9 -1.046 -12.334 2.338 1.00 0.00 C ATOM 146 O LEU A 9 -0.320 -11.459 2.785 1.00 0.00 O ATOM 147 CB LEU A 9 -3.550 -12.352 2.367 1.00 0.00 C ATOM 148 CG LEU A 9 -4.882 -11.758 1.886 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.902 -10.226 1.937 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.277 -12.237 0.488 1.00 0.00 C ATOM 0 H LEU A 9 -3.140 -13.124 0.088 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.319 -10.859 1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.630 -13.439 2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.403 -12.067 3.409 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.624 -12.131 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.868 -9.863 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.741 -9.894 2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.112 -9.830 1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.226 -11.784 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.507 -11.947 -0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.379 -13.322 0.491 1.00 0.00 H new ATOM 162 N GLU A 10 -0.781 -13.636 2.482 1.00 0.00 N ATOM 163 CA GLU A 10 0.363 -14.116 3.244 1.00 0.00 C ATOM 164 C GLU A 10 1.664 -13.490 2.727 1.00 0.00 C ATOM 165 O GLU A 10 2.488 -13.018 3.510 1.00 0.00 O ATOM 166 CB GLU A 10 0.410 -15.650 3.210 1.00 0.00 C ATOM 167 CG GLU A 10 1.325 -16.183 4.318 1.00 0.00 C ATOM 168 CD GLU A 10 1.445 -17.700 4.282 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.378 -18.350 4.265 1.00 0.00 O ATOM 170 OE2 GLU A 10 2.601 -18.175 4.275 1.00 0.00 O ATOM 0 H GLU A 10 -1.352 -14.377 2.075 1.00 0.00 H new ATOM 0 HA GLU A 10 0.253 -13.808 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.595 -16.053 3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.771 -15.987 2.238 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.315 -15.739 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.937 -15.874 5.288 1.00 0.00 H new ATOM 177 N GLU A 11 1.838 -13.468 1.402 1.00 0.00 N ATOM 178 CA GLU A 11 3.027 -12.909 0.784 1.00 0.00 C ATOM 179 C GLU A 11 3.142 -11.422 1.128 1.00 0.00 C ATOM 180 O GLU A 11 4.136 -10.988 1.707 1.00 0.00 O ATOM 181 CB GLU A 11 3.007 -13.202 -0.723 1.00 0.00 C ATOM 182 CG GLU A 11 4.351 -12.889 -1.393 1.00 0.00 C ATOM 183 CD GLU A 11 4.581 -13.787 -2.602 1.00 0.00 C ATOM 184 OE1 GLU A 11 5.064 -14.917 -2.375 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.257 -13.335 -3.719 1.00 0.00 O ATOM 0 H GLU A 11 1.158 -13.837 0.737 1.00 0.00 H new ATOM 0 HA GLU A 11 3.928 -13.380 1.178 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.759 -14.251 -0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.222 -12.612 -1.196 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.372 -11.844 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.160 -13.026 -0.675 1.00 0.00 H new ATOM 192 N ILE A 12 2.104 -10.632 0.841 1.00 0.00 N ATOM 193 CA ILE A 12 2.133 -9.202 1.137 1.00 0.00 C ATOM 194 C ILE A 12 2.360 -8.967 2.640 1.00 0.00 C ATOM 195 O ILE A 12 3.143 -8.108 3.034 1.00 0.00 O ATOM 196 CB ILE A 12 0.853 -8.518 0.633 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.603 -8.753 -0.865 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.991 -7.008 0.853 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.885 -8.618 -1.203 1.00 0.00 C ATOM 0 H ILE A 12 1.240 -10.958 0.407 1.00 0.00 H new ATOM 0 HA ILE A 12 2.971 -8.749 0.607 1.00 0.00 H new ATOM 0 HB ILE A 12 0.016 -8.944 1.186 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.179 -8.036 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.954 -9.747 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.090 -6.505 0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.127 -6.806 1.915 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.854 -6.637 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.033 -8.789 -2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.455 -9.353 -0.635 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.227 -7.616 -0.946 1.00 0.00 H new ATOM 211 N GLN A 13 1.716 -9.763 3.490 1.00 0.00 N ATOM 212 CA GLN A 13 1.848 -9.707 4.939 1.00 0.00 C ATOM 213 C GLN A 13 3.286 -10.006 5.379 1.00 0.00 C ATOM 214 O GLN A 13 3.694 -9.593 6.464 1.00 0.00 O ATOM 215 CB GLN A 13 0.857 -10.696 5.573 1.00 0.00 C ATOM 216 CG GLN A 13 0.642 -10.454 7.073 1.00 0.00 C ATOM 217 CD GLN A 13 0.578 -11.761 7.854 1.00 0.00 C ATOM 218 OE1 GLN A 13 -0.482 -12.178 8.302 1.00 0.00 O ATOM 219 NE2 GLN A 13 1.728 -12.399 8.053 1.00 0.00 N ATOM 0 H GLN A 13 1.068 -10.486 3.177 1.00 0.00 H new ATOM 0 HA GLN A 13 1.615 -8.698 5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.101 -10.622 5.058 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.221 -11.712 5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.453 -9.838 7.462 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.282 -9.896 7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 13 2.593 -12.023 7.665 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.745 -13.264 8.593 1.00 0.00 H new ATOM 228 N LYS A 14 4.054 -10.731 4.558 1.00 0.00 N ATOM 229 CA LYS A 14 5.461 -10.998 4.809 1.00 0.00 C ATOM 230 C LYS A 14 6.235 -9.682 4.650 1.00 0.00 C ATOM 231 O LYS A 14 7.165 -9.412 5.407 1.00 0.00 O ATOM 232 CB LYS A 14 5.966 -12.085 3.837 1.00 0.00 C ATOM 233 CG LYS A 14 6.872 -13.166 4.457 1.00 0.00 C ATOM 234 CD LYS A 14 6.100 -14.476 4.736 1.00 0.00 C ATOM 235 CE LYS A 14 6.990 -15.728 4.657 1.00 0.00 C ATOM 236 NZ LYS A 14 7.904 -15.867 5.809 1.00 0.00 N ATOM 0 H LYS A 14 3.706 -11.149 3.695 1.00 0.00 H new ATOM 0 HA LYS A 14 5.613 -11.374 5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.102 -12.575 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.512 -11.599 3.029 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.704 -13.372 3.784 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.299 -12.792 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.648 -14.421 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.285 -14.571 4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.356 -16.613 4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.576 -15.692 3.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.476 -16.728 5.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.531 -15.039 5.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.349 -15.932 6.686 1.00 0.00 H new ATOM 250 N HIS A 15 5.822 -8.833 3.700 1.00 0.00 N ATOM 251 CA HIS A 15 6.370 -7.496 3.484 1.00 0.00 C ATOM 252 C HIS A 15 5.843 -6.514 4.545 1.00 0.00 C ATOM 253 O HIS A 15 5.307 -5.450 4.227 1.00 0.00 O ATOM 254 CB HIS A 15 6.054 -7.043 2.048 1.00 0.00 C ATOM 255 CG HIS A 15 6.926 -7.680 1.000 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.031 -7.097 0.425 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.758 -8.913 0.428 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.527 -7.970 -0.468 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.791 -9.093 -0.499 1.00 0.00 N ATOM 0 H HIS A 15 5.077 -9.068 3.045 1.00 0.00 H new ATOM 0 HA HIS A 15 7.454 -7.517 3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.011 -7.272 1.827 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.163 -5.960 1.987 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.971 -9.618 0.652 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.400 -7.793 -1.079 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.953 -9.914 -1.082 1.00 0.00 H new ATOM 267 N LYS A 16 6.038 -6.864 5.821 1.00 0.00 N ATOM 268 CA LYS A 16 5.766 -6.030 6.978 1.00 0.00 C ATOM 269 C LYS A 16 6.985 -6.108 7.900 1.00 0.00 C ATOM 270 O LYS A 16 6.894 -6.621 9.015 1.00 0.00 O ATOM 271 CB LYS A 16 4.490 -6.512 7.688 1.00 0.00 C ATOM 272 CG LYS A 16 4.058 -5.485 8.747 1.00 0.00 C ATOM 273 CD LYS A 16 3.243 -6.100 9.889 1.00 0.00 C ATOM 274 CE LYS A 16 1.812 -6.452 9.449 1.00 0.00 C ATOM 275 NZ LYS A 16 1.512 -7.885 9.616 1.00 0.00 N ATOM 0 H LYS A 16 6.407 -7.780 6.078 1.00 0.00 H new ATOM 0 HA LYS A 16 5.596 -4.994 6.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.691 -6.655 6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.669 -7.479 8.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.945 -5.004 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.467 -4.705 8.267 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.743 -6.999 10.249 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.204 -5.401 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.101 -5.864 10.029 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.677 -6.174 8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.537 -8.074 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.173 -8.447 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.614 -8.147 10.617 1.00 0.00 H new ATOM 334 N SER A 20 11.311 -3.053 2.793 1.00 0.00 N ATOM 335 CA SER A 20 10.304 -2.753 1.775 1.00 0.00 C ATOM 336 C SER A 20 8.909 -2.747 2.397 1.00 0.00 C ATOM 337 O SER A 20 8.449 -3.760 2.924 1.00 0.00 O ATOM 338 CB SER A 20 10.389 -3.661 0.538 1.00 0.00 C ATOM 339 OG SER A 20 9.548 -3.202 -0.505 1.00 0.00 O ATOM 0 HA SER A 20 10.518 -1.753 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.419 -3.700 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.108 -4.678 0.812 1.00 0.00 H new ATOM 0 HG SER A 20 8.670 -3.630 -0.430 1.00 0.00 H new ATOM 345 N THR A 21 8.254 -1.588 2.349 1.00 0.00 N ATOM 346 CA THR A 21 6.980 -1.327 2.971 1.00 0.00 C ATOM 347 C THR A 21 5.915 -1.380 1.883 1.00 0.00 C ATOM 348 O THR A 21 5.749 -0.423 1.124 1.00 0.00 O ATOM 349 CB THR A 21 7.068 0.050 3.631 1.00 0.00 C ATOM 350 OG1 THR A 21 8.045 -0.015 4.653 1.00 0.00 O ATOM 351 CG2 THR A 21 5.713 0.449 4.204 1.00 0.00 C ATOM 0 H THR A 21 8.622 -0.778 1.851 1.00 0.00 H new ATOM 0 HA THR A 21 6.721 -2.060 3.735 1.00 0.00 H new ATOM 0 HB THR A 21 7.350 0.804 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.759 0.629 4.464 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.790 1.431 4.671 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.975 0.485 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.403 -0.284 4.949 1.00 0.00 H new ATOM 359 N TRP A 22 5.203 -2.504 1.814 1.00 0.00 N ATOM 360 CA TRP A 22 4.093 -2.677 0.895 1.00 0.00 C ATOM 361 C TRP A 22 2.785 -2.366 1.609 1.00 0.00 C ATOM 362 O TRP A 22 2.678 -2.502 2.826 1.00 0.00 O ATOM 363 CB TRP A 22 4.079 -4.100 0.359 1.00 0.00 C ATOM 364 CG TRP A 22 5.157 -4.445 -0.624 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.336 -3.811 -0.819 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.108 -5.497 -1.622 1.00 0.00 C ATOM 367 NE1 TRP A 22 7.022 -4.411 -1.853 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.306 -5.463 -2.391 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.141 -6.459 -1.967 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.538 -6.361 -3.444 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.372 -7.384 -3.000 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.569 -7.336 -3.737 1.00 0.00 C ATOM 0 H TRP A 22 5.385 -3.320 2.399 1.00 0.00 H new ATOM 0 HA TRP A 22 4.209 -1.991 0.056 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.152 -4.785 1.203 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.113 -4.279 -0.114 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.687 -2.963 -0.250 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.942 -4.116 -2.180 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.205 -6.487 -1.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.449 -6.304 -4.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.629 -8.133 -3.228 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.744 -8.049 -4.529 1.00 0.00 H new ATOM 383 N VAL A 23 1.786 -1.961 0.832 1.00 0.00 N ATOM 384 CA VAL A 23 0.470 -1.577 1.310 1.00 0.00 C ATOM 385 C VAL A 23 -0.532 -1.868 0.191 1.00 0.00 C ATOM 386 O VAL A 23 -0.174 -1.807 -0.987 1.00 0.00 O ATOM 387 CB VAL A 23 0.449 -0.090 1.709 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.983 0.166 3.121 1.00 0.00 C ATOM 389 CG2 VAL A 23 1.253 0.770 0.734 1.00 0.00 C ATOM 0 H VAL A 23 1.877 -1.890 -0.181 1.00 0.00 H new ATOM 0 HA VAL A 23 0.205 -2.145 2.202 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.604 0.190 1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.940 1.233 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.374 -0.376 3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.016 -0.177 3.187 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.213 1.812 1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.290 0.434 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.830 0.678 -0.266 1.00 0.00 H new ATOM 399 N ILE A 24 -1.774 -2.197 0.563 1.00 0.00 N ATOM 400 CA ILE A 24 -2.885 -2.414 -0.344 1.00 0.00 C ATOM 401 C ILE A 24 -3.966 -1.396 -0.036 1.00 0.00 C ATOM 402 O ILE A 24 -4.395 -1.297 1.117 1.00 0.00 O ATOM 403 CB ILE A 24 -3.427 -3.844 -0.279 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.933 -4.244 1.107 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.355 -4.799 -0.798 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.460 -4.208 1.216 1.00 0.00 C ATOM 0 H ILE A 24 -2.033 -2.322 1.542 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.532 -2.281 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.309 -3.901 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.580 -5.248 1.341 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.504 -3.574 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.729 -5.822 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.108 -4.544 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.462 -4.714 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.760 -4.501 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.816 -3.198 1.011 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.893 -4.899 0.492 1.00 0.00 H new ATOM 418 N LEU A 25 -4.345 -0.598 -1.033 1.00 0.00 N ATOM 419 CA LEU A 25 -5.362 0.428 -0.868 1.00 0.00 C ATOM 420 C LEU A 25 -6.426 0.181 -1.933 1.00 0.00 C ATOM 421 O LEU A 25 -6.197 0.462 -3.109 1.00 0.00 O ATOM 422 CB LEU A 25 -4.782 1.854 -0.896 1.00 0.00 C ATOM 423 CG LEU A 25 -3.365 2.018 -0.312 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.091 3.494 -0.101 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.114 1.404 1.067 1.00 0.00 C ATOM 0 H LEU A 25 -3.954 -0.648 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.814 0.358 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.770 2.200 -1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.458 2.511 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.734 1.506 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.091 3.623 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.160 4.017 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.825 3.905 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.082 1.588 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.788 1.856 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.294 0.330 1.025 1.00 0.00 H new ATOM 437 N HIS A 26 -7.560 -0.393 -1.518 1.00 0.00 N ATOM 438 CA HIS A 26 -8.679 -0.731 -2.400 1.00 0.00 C ATOM 439 C HIS A 26 -8.284 -1.808 -3.417 1.00 0.00 C ATOM 440 O HIS A 26 -8.321 -1.575 -4.624 1.00 0.00 O ATOM 441 CB HIS A 26 -9.250 0.508 -3.114 1.00 0.00 C ATOM 442 CG HIS A 26 -9.703 1.611 -2.199 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.011 1.971 -1.966 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.900 2.553 -1.612 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.993 3.102 -1.245 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.730 3.495 -1.012 1.00 0.00 N ATOM 0 H HIS A 26 -7.728 -0.640 -0.543 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.467 -1.134 -1.764 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.490 0.904 -3.788 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.093 0.198 -3.731 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.820 2.563 -1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.873 3.625 -0.900 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.436 4.324 -0.495 1.00 0.00 H new ATOM 454 N HIS A 27 -7.943 -3.005 -2.925 1.00 0.00 N ATOM 455 CA HIS A 27 -7.619 -4.168 -3.753 1.00 0.00 C ATOM 456 C HIS A 27 -6.575 -3.831 -4.822 1.00 0.00 C ATOM 457 O HIS A 27 -6.745 -4.144 -5.998 1.00 0.00 O ATOM 458 CB HIS A 27 -8.894 -4.764 -4.372 1.00 0.00 C ATOM 459 CG HIS A 27 -9.812 -5.407 -3.366 1.00 0.00 C ATOM 460 ND1 HIS A 27 -11.133 -5.089 -3.143 1.00 0.00 N ATOM 461 CD2 HIS A 27 -9.510 -6.498 -2.598 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.612 -5.973 -2.250 1.00 0.00 C ATOM 463 NE2 HIS A 27 -10.657 -6.844 -1.885 1.00 0.00 N ATOM 0 H HIS A 27 -7.884 -3.194 -1.924 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.174 -4.925 -3.107 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.437 -3.976 -4.894 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.612 -5.506 -5.119 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.555 -7.001 -2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.626 -5.981 -1.877 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.752 -7.609 -1.217 1.00 0.00 H new ATOM 471 N LYS A 28 -5.476 -3.201 -4.406 1.00 0.00 N ATOM 472 CA LYS A 28 -4.433 -2.763 -5.314 1.00 0.00 C ATOM 473 C LYS A 28 -3.154 -2.640 -4.498 1.00 0.00 C ATOM 474 O LYS A 28 -3.179 -1.933 -3.492 1.00 0.00 O ATOM 475 CB LYS A 28 -4.860 -1.418 -5.923 1.00 0.00 C ATOM 476 CG LYS A 28 -4.140 -1.139 -7.244 1.00 0.00 C ATOM 477 CD LYS A 28 -4.778 -1.924 -8.397 1.00 0.00 C ATOM 478 CE LYS A 28 -6.083 -1.317 -8.927 1.00 0.00 C ATOM 479 NZ LYS A 28 -6.674 -2.197 -9.959 1.00 0.00 N ATOM 0 H LYS A 28 -5.290 -2.983 -3.427 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.266 -3.462 -6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.937 -1.420 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.648 -0.615 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.176 -0.072 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.088 -1.411 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.062 -1.990 -9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.974 -2.943 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.788 -1.181 -8.107 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.889 -0.330 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.490 -1.722 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.963 -2.402 -10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.985 -3.087 -9.520 1.00 0.00 H new ATOM 493 N VAL A 29 -2.083 -3.349 -4.882 1.00 0.00 N ATOM 494 CA VAL A 29 -0.849 -3.422 -4.110 1.00 0.00 C ATOM 495 C VAL A 29 0.113 -2.355 -4.636 1.00 0.00 C ATOM 496 O VAL A 29 0.416 -2.307 -5.833 1.00 0.00 O ATOM 497 CB VAL A 29 -0.209 -4.826 -4.175 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.930 -4.908 -3.147 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.166 -5.992 -3.880 1.00 0.00 C ATOM 0 H VAL A 29 -2.056 -3.890 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.074 -3.237 -3.060 1.00 0.00 H new ATOM 0 HB VAL A 29 0.128 -4.937 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.386 -5.897 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.681 -4.152 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.531 -4.733 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.623 -6.935 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.574 -5.882 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.980 -5.987 -4.605 1.00 0.00 H new ATOM 509 N TYR A 30 0.596 -1.501 -3.734 1.00 0.00 N ATOM 510 CA TYR A 30 1.525 -0.432 -4.047 1.00 0.00 C ATOM 511 C TYR A 30 2.823 -0.697 -3.289 1.00 0.00 C ATOM 512 O TYR A 30 2.776 -0.935 -2.079 1.00 0.00 O ATOM 513 CB TYR A 30 0.899 0.909 -3.655 1.00 0.00 C ATOM 514 CG TYR A 30 -0.484 1.124 -4.237 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.633 1.516 -5.575 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.624 0.841 -3.470 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.914 1.733 -6.115 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.900 1.113 -3.986 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.047 1.583 -5.299 1.00 0.00 C ATOM 520 OH TYR A 30 -4.283 1.904 -5.777 1.00 0.00 O ATOM 0 H TYR A 30 0.343 -1.540 -2.747 1.00 0.00 H new ATOM 0 HA TYR A 30 1.744 -0.394 -5.114 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.841 0.970 -2.568 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.553 1.716 -3.985 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.241 1.652 -6.195 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.520 0.414 -2.483 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.025 2.014 -7.152 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.773 0.960 -3.369 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.955 1.739 -5.083 1.00 0.00 H new ATOM 530 N ASP A 31 3.965 -0.665 -3.987 1.00 0.00 N ATOM 531 CA ASP A 31 5.260 -0.651 -3.319 1.00 0.00 C ATOM 532 C ASP A 31 5.622 0.809 -3.154 1.00 0.00 C ATOM 533 O ASP A 31 5.850 1.510 -4.139 1.00 0.00 O ATOM 534 CB ASP A 31 6.364 -1.379 -4.090 1.00 0.00 C ATOM 535 CG ASP A 31 7.710 -1.315 -3.356 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.752 -0.848 -2.190 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.695 -1.769 -3.972 1.00 0.00 O ATOM 0 H ASP A 31 4.013 -0.649 -5.006 1.00 0.00 H new ATOM 0 HA ASP A 31 5.180 -1.184 -2.371 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.079 -2.421 -4.236 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.469 -0.936 -5.080 1.00 0.00 H new ATOM 542 N LEU A 32 5.610 1.271 -1.911 1.00 0.00 N ATOM 543 CA LEU A 32 6.004 2.621 -1.608 1.00 0.00 C ATOM 544 C LEU A 32 7.507 2.623 -1.354 1.00 0.00 C ATOM 545 O LEU A 32 8.272 2.849 -2.285 1.00 0.00 O ATOM 546 CB LEU A 32 5.140 3.140 -0.455 1.00 0.00 C ATOM 547 CG LEU A 32 3.650 3.308 -0.836 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.991 4.187 0.226 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.430 3.939 -2.217 1.00 0.00 C ATOM 0 H LEU A 32 5.329 0.720 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 32 5.832 3.315 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.217 2.452 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.533 4.100 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 32 3.209 2.312 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.937 4.323 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.080 3.708 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.486 5.158 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.361 4.024 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.883 4.930 -2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.890 3.312 -2.981 1.00 0.00 H new ATOM 561 N THR A 33 7.923 2.377 -0.109 1.00 0.00 N ATOM 562 CA THR A 33 9.285 2.241 0.379 1.00 0.00 C ATOM 563 C THR A 33 10.112 3.511 0.140 1.00 0.00 C ATOM 564 O THR A 33 10.431 4.258 1.059 1.00 0.00 O ATOM 565 CB THR A 33 9.903 0.966 -0.213 1.00 0.00 C ATOM 566 OG1 THR A 33 9.069 -0.156 0.040 1.00 0.00 O ATOM 567 CG2 THR A 33 11.285 0.719 0.401 1.00 0.00 C ATOM 0 H THR A 33 7.248 2.258 0.647 1.00 0.00 H new ATOM 0 HA THR A 33 9.280 2.128 1.463 1.00 0.00 H new ATOM 0 HB THR A 33 10.001 1.101 -1.290 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.443 -0.273 -0.705 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.716 -0.187 -0.025 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.936 1.566 0.185 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.188 0.602 1.480 1.00 0.00 H new ATOM 575 N LYS A 34 10.421 3.790 -1.118 1.00 0.00 N ATOM 576 CA LYS A 34 11.142 4.975 -1.550 1.00 0.00 C ATOM 577 C LYS A 34 10.249 6.223 -1.568 1.00 0.00 C ATOM 578 O LYS A 34 10.726 7.307 -1.891 1.00 0.00 O ATOM 579 CB LYS A 34 11.738 4.714 -2.936 1.00 0.00 C ATOM 580 CG LYS A 34 12.540 3.402 -2.998 1.00 0.00 C ATOM 581 CD LYS A 34 13.783 3.577 -3.879 1.00 0.00 C ATOM 582 CE LYS A 34 14.917 4.221 -3.060 1.00 0.00 C ATOM 583 NZ LYS A 34 15.851 4.999 -3.898 1.00 0.00 N ATOM 0 H LYS A 34 10.167 3.175 -1.891 1.00 0.00 H new ATOM 0 HA LYS A 34 11.939 5.175 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.935 4.680 -3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.387 5.546 -3.211 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.838 3.102 -1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.914 2.604 -3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.105 2.610 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.545 4.201 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.486 4.874 -2.300 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.469 3.441 -2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.594 5.411 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.285 4.374 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.333 5.761 -4.380 1.00 0.00 H new ATOM 597 N PHE A 35 8.965 6.073 -1.226 1.00 0.00 N ATOM 598 CA PHE A 35 7.984 7.151 -1.177 1.00 0.00 C ATOM 599 C PHE A 35 7.734 7.569 0.272 1.00 0.00 C ATOM 600 O PHE A 35 7.089 8.583 0.520 1.00 0.00 O ATOM 601 CB PHE A 35 6.695 6.672 -1.856 1.00 0.00 C ATOM 602 CG PHE A 35 5.479 7.567 -1.692 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.429 8.830 -2.301 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.399 7.147 -0.898 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.277 9.626 -2.193 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.215 7.898 -0.850 1.00 0.00 C ATOM 607 CZ PHE A 35 3.157 9.146 -1.491 1.00 0.00 C ATOM 0 H PHE A 35 8.572 5.168 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 35 8.357 8.027 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.892 6.554 -2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.449 5.684 -1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.282 9.192 -2.856 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.481 6.239 -0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.251 10.605 -2.648 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.352 7.518 -0.323 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.254 9.736 -1.445 1.00 0.00 H new ATOM 617 N LEU A 36 8.245 6.797 1.237 1.00 0.00 N ATOM 618 CA LEU A 36 8.017 7.019 2.653 1.00 0.00 C ATOM 619 C LEU A 36 8.250 8.493 3.037 1.00 0.00 C ATOM 620 O LEU A 36 7.393 9.107 3.665 1.00 0.00 O ATOM 621 CB LEU A 36 8.921 6.058 3.441 1.00 0.00 C ATOM 622 CG LEU A 36 8.499 4.569 3.515 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.441 3.809 4.458 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.054 4.387 3.986 1.00 0.00 C ATOM 0 H LEU A 36 8.837 5.989 1.044 1.00 0.00 H new ATOM 0 HA LEU A 36 6.976 6.812 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.919 6.102 3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.002 6.434 4.461 1.00 0.00 H new ATOM 0 HG LEU A 36 8.566 4.168 2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.140 2.762 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.462 3.876 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.390 4.248 5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.813 3.324 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.939 4.816 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.379 4.891 3.294 1.00 0.00 H new ATOM 636 N GLU A 37 9.385 9.077 2.630 1.00 0.00 N ATOM 637 CA GLU A 37 9.669 10.490 2.847 1.00 0.00 C ATOM 638 C GLU A 37 8.806 11.399 1.964 1.00 0.00 C ATOM 639 O GLU A 37 8.305 12.412 2.444 1.00 0.00 O ATOM 640 CB GLU A 37 11.161 10.758 2.610 1.00 0.00 C ATOM 641 CG GLU A 37 11.949 10.680 3.923 1.00 0.00 C ATOM 642 CD GLU A 37 13.444 10.854 3.691 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.796 11.772 2.919 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.207 10.059 4.280 1.00 0.00 O ATOM 0 H GLU A 37 10.128 8.578 2.142 1.00 0.00 H new ATOM 0 HA GLU A 37 9.417 10.727 3.880 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.556 10.031 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.290 11.743 2.162 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.594 11.451 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.764 9.719 4.402 1.00 0.00 H new ATOM 651 N GLU A 38 8.663 11.072 0.673 1.00 0.00 N ATOM 652 CA GLU A 38 7.899 11.901 -0.257 1.00 0.00 C ATOM 653 C GLU A 38 6.483 12.154 0.259 1.00 0.00 C ATOM 654 O GLU A 38 5.984 13.272 0.150 1.00 0.00 O ATOM 655 CB GLU A 38 7.788 11.232 -1.632 1.00 0.00 C ATOM 656 CG GLU A 38 8.841 11.642 -2.666 1.00 0.00 C ATOM 657 CD GLU A 38 8.248 11.589 -4.077 1.00 0.00 C ATOM 658 OE1 GLU A 38 7.473 10.638 -4.345 1.00 0.00 O ATOM 659 OE2 GLU A 38 8.544 12.527 -4.846 1.00 0.00 O ATOM 0 H GLU A 38 9.069 10.236 0.252 1.00 0.00 H new ATOM 0 HA GLU A 38 8.436 12.846 -0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.844 10.152 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.802 11.450 -2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.198 12.649 -2.452 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.703 10.978 -2.601 1.00 0.00 H new ATOM 666 N HIS A 39 5.826 11.092 0.734 1.00 0.00 N ATOM 667 CA HIS A 39 4.441 11.087 1.175 1.00 0.00 C ATOM 668 C HIS A 39 4.114 12.356 1.971 1.00 0.00 C ATOM 669 O HIS A 39 4.576 12.472 3.109 1.00 0.00 O ATOM 670 CB HIS A 39 4.197 9.828 2.015 1.00 0.00 C ATOM 671 CG HIS A 39 2.788 9.693 2.540 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.453 9.437 3.846 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.623 9.746 1.825 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.119 9.339 3.914 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.562 9.509 2.704 1.00 0.00 N ATOM 0 H HIS A 39 6.269 10.178 0.823 1.00 0.00 H new ATOM 0 HA HIS A 39 3.781 11.076 0.307 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.432 8.952 1.411 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.888 9.829 2.858 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.104 9.339 4.625 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.538 9.938 0.766 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.565 9.149 4.821 1.00 0.00 H new ATOM 683 N PRO A 40 3.337 13.302 1.406 1.00 0.00 N ATOM 684 CA PRO A 40 3.023 14.563 2.062 1.00 0.00 C ATOM 685 C PRO A 40 2.062 14.290 3.221 1.00 0.00 C ATOM 686 O PRO A 40 0.853 14.483 3.119 1.00 0.00 O ATOM 687 CB PRO A 40 2.453 15.483 0.976 1.00 0.00 C ATOM 688 CG PRO A 40 1.955 14.534 -0.109 1.00 0.00 C ATOM 689 CD PRO A 40 2.763 13.249 0.070 1.00 0.00 C ATOM 0 HA PRO A 40 3.889 15.054 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.643 16.101 1.365 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.215 16.161 0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.887 14.344 -0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.107 14.958 -1.101 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.126 12.372 -0.044 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.545 13.175 -0.685 1.00 0.00 H new ATOM 697 N GLY A 41 2.634 13.792 4.314 1.00 0.00 N ATOM 698 CA GLY A 41 1.930 13.209 5.436 1.00 0.00 C ATOM 699 C GLY A 41 2.905 12.449 6.333 1.00 0.00 C ATOM 700 O GLY A 41 2.778 12.522 7.553 1.00 0.00 O ATOM 0 H GLY A 41 3.646 13.787 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.432 13.991 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.153 12.534 5.076 1.00 0.00 H new ATOM 704 N GLY A 42 3.896 11.749 5.754 1.00 0.00 N ATOM 705 CA GLY A 42 4.970 11.154 6.541 1.00 0.00 C ATOM 706 C GLY A 42 5.340 9.731 6.180 1.00 0.00 C ATOM 707 O GLY A 42 4.570 9.013 5.546 1.00 0.00 O ATOM 0 H GLY A 42 3.968 11.587 4.750 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.858 11.778 6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.682 11.179 7.592 1.00 0.00 H new ATOM 711 N GLU A 43 6.480 9.298 6.715 1.00 0.00 N ATOM 712 CA GLU A 43 6.873 7.909 6.689 1.00 0.00 C ATOM 713 C GLU A 43 6.054 7.137 7.730 1.00 0.00 C ATOM 714 O GLU A 43 5.379 6.173 7.383 1.00 0.00 O ATOM 715 CB GLU A 43 8.389 7.816 6.933 1.00 0.00 C ATOM 716 CG GLU A 43 8.895 6.374 7.103 1.00 0.00 C ATOM 717 CD GLU A 43 8.870 5.844 8.532 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.996 6.674 9.455 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.731 4.609 8.665 1.00 0.00 O ATOM 0 H GLU A 43 7.152 9.910 7.178 1.00 0.00 H new ATOM 0 HA GLU A 43 6.670 7.457 5.718 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.913 8.280 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.641 8.389 7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.290 5.717 6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.917 6.318 6.729 1.00 0.00 H new ATOM 726 N GLU A 44 6.097 7.557 8.998 1.00 0.00 N ATOM 727 CA GLU A 44 5.599 6.754 10.115 1.00 0.00 C ATOM 728 C GLU A 44 4.157 6.302 9.877 1.00 0.00 C ATOM 729 O GLU A 44 3.876 5.106 9.893 1.00 0.00 O ATOM 730 CB GLU A 44 5.742 7.517 11.440 1.00 0.00 C ATOM 731 CG GLU A 44 5.560 6.578 12.642 1.00 0.00 C ATOM 732 CD GLU A 44 5.608 7.343 13.957 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.725 7.761 14.329 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.525 7.518 14.555 1.00 0.00 O ATOM 0 H GLU A 44 6.477 8.461 9.277 1.00 0.00 H new ATOM 0 HA GLU A 44 6.210 5.854 10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.724 7.988 11.488 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.003 8.317 11.484 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.606 6.057 12.557 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.341 5.818 12.633 1.00 0.00 H new ATOM 741 N VAL A 45 3.253 7.247 9.594 1.00 0.00 N ATOM 742 CA VAL A 45 1.861 6.952 9.292 1.00 0.00 C ATOM 743 C VAL A 45 1.747 5.881 8.204 1.00 0.00 C ATOM 744 O VAL A 45 0.891 5.007 8.266 1.00 0.00 O ATOM 745 CB VAL A 45 1.110 8.241 8.915 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.096 9.236 10.082 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.650 8.937 7.657 1.00 0.00 C ATOM 0 H VAL A 45 3.475 8.242 9.570 1.00 0.00 H new ATOM 0 HA VAL A 45 1.390 6.544 10.186 1.00 0.00 H new ATOM 0 HB VAL A 45 0.094 7.918 8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.558 10.137 9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.600 8.783 10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.120 9.496 10.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.067 9.836 7.460 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.694 9.208 7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.573 8.261 6.806 1.00 0.00 H new ATOM 757 N LEU A 46 2.628 5.927 7.208 1.00 0.00 N ATOM 758 CA LEU A 46 2.647 4.974 6.118 1.00 0.00 C ATOM 759 C LEU A 46 3.120 3.616 6.650 1.00 0.00 C ATOM 760 O LEU A 46 2.495 2.585 6.395 1.00 0.00 O ATOM 761 CB LEU A 46 3.557 5.562 5.025 1.00 0.00 C ATOM 762 CG LEU A 46 3.317 5.060 3.603 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.635 3.557 3.509 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.891 5.411 3.157 1.00 0.00 C ATOM 0 H LEU A 46 3.355 6.639 7.141 1.00 0.00 H new ATOM 0 HA LEU A 46 1.662 4.802 5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.441 6.646 5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.593 5.351 5.292 1.00 0.00 H new ATOM 0 HG LEU A 46 3.993 5.561 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.460 3.211 2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.678 3.389 3.775 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.992 3.005 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.728 5.049 2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.173 4.941 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.758 6.492 3.183 1.00 0.00 H new ATOM 776 N ARG A 47 4.214 3.617 7.418 1.00 0.00 N ATOM 777 CA ARG A 47 4.848 2.419 7.957 1.00 0.00 C ATOM 778 C ARG A 47 4.238 1.974 9.299 1.00 0.00 C ATOM 779 O ARG A 47 4.885 1.224 10.034 1.00 0.00 O ATOM 780 CB ARG A 47 6.366 2.658 8.090 1.00 0.00 C ATOM 781 CG ARG A 47 7.243 1.555 7.476 1.00 0.00 C ATOM 782 CD ARG A 47 6.857 0.093 7.784 1.00 0.00 C ATOM 783 NE ARG A 47 7.903 -0.614 8.533 1.00 0.00 N ATOM 784 CZ ARG A 47 8.173 -0.434 9.837 1.00 0.00 C ATOM 785 NH1 ARG A 47 7.402 0.361 10.589 1.00 0.00 N ATOM 786 NH2 ARG A 47 9.223 -1.062 10.378 1.00 0.00 N ATOM 0 H ARG A 47 4.693 4.477 7.687 1.00 0.00 H new ATOM 0 HA ARG A 47 4.666 1.603 7.258 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.614 3.608 7.616 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.614 2.755 9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.240 1.684 6.394 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.268 1.712 7.813 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.930 0.077 8.357 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.663 -0.434 6.850 1.00 0.00 H new ATOM 0 HE ARG A 47 8.468 -1.294 8.025 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.601 0.837 10.173 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.615 0.491 11.578 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.807 -1.668 9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.440 -0.935 11.367 1.00 0.00 H new ATOM 800 N GLU A 48 3.010 2.396 9.613 1.00 0.00 N ATOM 801 CA GLU A 48 2.287 2.001 10.815 1.00 0.00 C ATOM 802 C GLU A 48 1.658 0.623 10.613 1.00 0.00 C ATOM 803 O GLU A 48 1.755 -0.255 11.469 1.00 0.00 O ATOM 804 CB GLU A 48 1.214 3.061 11.115 1.00 0.00 C ATOM 805 CG GLU A 48 1.616 4.015 12.249 1.00 0.00 C ATOM 806 CD GLU A 48 1.011 3.561 13.570 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.179 3.885 13.776 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.724 2.861 14.319 1.00 0.00 O ATOM 0 H GLU A 48 2.482 3.037 9.021 1.00 0.00 H new ATOM 0 HA GLU A 48 2.969 1.936 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.020 3.640 10.212 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.282 2.562 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.702 4.051 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.281 5.026 12.017 1.00 0.00 H new ATOM 815 N GLN A 49 0.991 0.443 9.472 1.00 0.00 N ATOM 816 CA GLN A 49 0.295 -0.788 9.129 1.00 0.00 C ATOM 817 C GLN A 49 1.172 -1.611 8.189 1.00 0.00 C ATOM 818 O GLN A 49 1.590 -2.720 8.527 1.00 0.00 O ATOM 819 CB GLN A 49 -1.072 -0.429 8.529 1.00 0.00 C ATOM 820 CG GLN A 49 -2.075 0.070 9.583 1.00 0.00 C ATOM 821 CD GLN A 49 -2.635 -1.038 10.480 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.885 -1.473 11.489 1.00 0.00 O flip ATOM 823 NE2 GLN A 49 -3.772 -1.464 10.312 1.00 0.00 N flip ATOM 0 H GLN A 49 0.921 1.162 8.752 1.00 0.00 H new ATOM 0 HA GLN A 49 0.110 -1.405 10.008 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.939 0.340 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.485 -1.305 8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.588 0.819 10.208 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.902 0.567 9.076 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.335 -1.121 9.534 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.155 -2.161 10.950 1.00 0.00 H new ATOM 832 N ALA A 50 1.514 -1.033 7.033 1.00 0.00 N ATOM 833 CA ALA A 50 2.282 -1.708 6.001 1.00 0.00 C ATOM 834 C ALA A 50 1.573 -3.006 5.586 1.00 0.00 C ATOM 835 O ALA A 50 0.345 -3.083 5.624 1.00 0.00 O ATOM 836 CB ALA A 50 3.723 -1.906 6.492 1.00 0.00 C ATOM 0 H ALA A 50 1.260 -0.075 6.793 1.00 0.00 H new ATOM 0 HA ALA A 50 2.343 -1.102 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.304 -2.412 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.171 -0.936 6.705 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.719 -2.511 7.399 1.00 0.00 H new ATOM 842 N GLY A 51 2.350 -4.005 5.163 1.00 0.00 N ATOM 843 CA GLY A 51 1.973 -5.414 5.094 1.00 0.00 C ATOM 844 C GLY A 51 0.691 -5.710 4.330 1.00 0.00 C ATOM 845 O GLY A 51 0.089 -6.762 4.523 1.00 0.00 O ATOM 0 H GLY A 51 3.305 -3.843 4.844 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.789 -5.969 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.866 -5.794 6.110 1.00 0.00 H new ATOM 849 N GLY A 52 0.287 -4.812 3.434 1.00 0.00 N ATOM 850 CA GLY A 52 -0.984 -4.956 2.756 1.00 0.00 C ATOM 851 C GLY A 52 -2.157 -4.936 3.729 1.00 0.00 C ATOM 852 O GLY A 52 -3.050 -5.775 3.615 1.00 0.00 O ATOM 0 H GLY A 52 0.822 -3.986 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.101 -4.151 2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.993 -5.892 2.197 1.00 0.00 H new ATOM 856 N ASP A 53 -2.205 -3.947 4.623 1.00 0.00 N ATOM 857 CA ASP A 53 -3.385 -3.734 5.452 1.00 0.00 C ATOM 858 C ASP A 53 -3.595 -2.258 5.803 1.00 0.00 C ATOM 859 O ASP A 53 -4.011 -1.922 6.908 1.00 0.00 O ATOM 860 CB ASP A 53 -3.386 -4.701 6.657 1.00 0.00 C ATOM 861 CG ASP A 53 -2.094 -4.727 7.479 1.00 0.00 C ATOM 862 OD1 ASP A 53 -1.720 -3.662 8.006 1.00 0.00 O ATOM 863 OD2 ASP A 53 -1.503 -5.827 7.599 1.00 0.00 O ATOM 0 H ASP A 53 -1.445 -3.287 4.788 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.272 -3.987 4.871 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.211 -4.432 7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.585 -5.709 6.292 1.00 0.00 H new ATOM 868 N ALA A 54 -3.402 -1.351 4.830 1.00 0.00 N ATOM 869 CA ALA A 54 -3.546 0.072 5.078 1.00 0.00 C ATOM 870 C ALA A 54 -4.917 0.625 4.673 1.00 0.00 C ATOM 871 O ALA A 54 -5.219 1.746 5.074 1.00 0.00 O ATOM 872 CB ALA A 54 -2.409 0.827 4.384 1.00 0.00 C ATOM 0 H ALA A 54 -3.147 -1.589 3.871 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.482 0.225 6.155 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.516 1.896 4.569 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.452 0.484 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.449 0.639 3.311 1.00 0.00 H new ATOM 878 N THR A 55 -5.730 -0.089 3.873 1.00 0.00 N ATOM 879 CA THR A 55 -6.985 0.454 3.342 1.00 0.00 C ATOM 880 C THR A 55 -7.825 1.147 4.426 1.00 0.00 C ATOM 881 O THR A 55 -8.176 2.312 4.240 1.00 0.00 O ATOM 882 CB THR A 55 -7.805 -0.602 2.579 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.045 -1.224 1.561 1.00 0.00 O ATOM 884 CG2 THR A 55 -8.982 0.045 1.840 1.00 0.00 C ATOM 0 H THR A 55 -5.535 -1.047 3.582 1.00 0.00 H new ATOM 0 HA THR A 55 -6.702 1.219 2.619 1.00 0.00 H new ATOM 0 HB THR A 55 -8.129 -1.318 3.335 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.093 -1.043 1.706 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.545 -0.723 1.309 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.634 0.541 2.559 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.605 0.777 1.126 1.00 0.00 H new ATOM 892 N GLU A 56 -8.109 0.470 5.551 1.00 0.00 N ATOM 893 CA GLU A 56 -8.808 1.072 6.688 1.00 0.00 C ATOM 894 C GLU A 56 -8.262 2.474 6.982 1.00 0.00 C ATOM 895 O GLU A 56 -9.011 3.443 7.050 1.00 0.00 O ATOM 896 CB GLU A 56 -8.672 0.190 7.947 1.00 0.00 C ATOM 897 CG GLU A 56 -9.790 -0.851 8.110 1.00 0.00 C ATOM 898 CD GLU A 56 -9.588 -2.081 7.236 1.00 0.00 C ATOM 899 OE1 GLU A 56 -8.559 -2.755 7.444 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.455 -2.322 6.372 1.00 0.00 O ATOM 0 H GLU A 56 -7.859 -0.509 5.693 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.863 1.150 6.424 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.712 -0.326 7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.658 0.833 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.843 -1.159 9.154 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.747 -0.390 7.864 1.00 0.00 H new ATOM 907 N ASN A 57 -6.945 2.575 7.152 1.00 0.00 N ATOM 908 CA ASN A 57 -6.275 3.787 7.603 1.00 0.00 C ATOM 909 C ASN A 57 -6.277 4.853 6.501 1.00 0.00 C ATOM 910 O ASN A 57 -6.539 6.029 6.740 1.00 0.00 O ATOM 911 CB ASN A 57 -4.853 3.410 8.039 1.00 0.00 C ATOM 912 CG ASN A 57 -4.309 4.357 9.103 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.367 5.571 8.962 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.759 3.805 10.182 1.00 0.00 N ATOM 0 H ASN A 57 -6.304 1.801 6.976 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.805 4.223 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.851 2.391 8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.193 3.423 7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.373 4.397 10.917 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.724 2.790 10.274 1.00 0.00 H new ATOM 921 N PHE A 58 -6.008 4.434 5.263 1.00 0.00 N ATOM 922 CA PHE A 58 -6.077 5.303 4.098 1.00 0.00 C ATOM 923 C PHE A 58 -7.466 5.936 3.974 1.00 0.00 C ATOM 924 O PHE A 58 -7.555 7.138 3.713 1.00 0.00 O ATOM 925 CB PHE A 58 -5.703 4.511 2.839 1.00 0.00 C ATOM 926 CG PHE A 58 -5.859 5.271 1.532 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.800 6.037 1.010 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.064 5.180 0.813 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.911 6.622 -0.264 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.197 5.809 -0.434 1.00 0.00 C ATOM 931 CZ PHE A 58 -6.108 6.500 -0.992 1.00 0.00 C ATOM 0 H PHE A 58 -5.735 3.476 5.045 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.361 6.117 4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.668 4.182 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.320 3.614 2.796 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.899 6.176 1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.893 4.622 1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.077 7.165 -0.683 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.136 5.762 -0.965 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.190 6.936 -1.977 1.00 0.00 H new ATOM 941 N GLU A 59 -8.524 5.132 4.154 1.00 0.00 N ATOM 942 CA GLU A 59 -9.912 5.564 4.008 1.00 0.00 C ATOM 943 C GLU A 59 -10.428 6.312 5.235 1.00 0.00 C ATOM 944 O GLU A 59 -11.277 7.186 5.085 1.00 0.00 O ATOM 945 CB GLU A 59 -10.838 4.390 3.663 1.00 0.00 C ATOM 946 CG GLU A 59 -10.782 4.016 2.175 1.00 0.00 C ATOM 947 CD GLU A 59 -11.337 5.116 1.264 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.560 5.073 1.014 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.542 5.965 0.799 1.00 0.00 O ATOM 0 H GLU A 59 -8.432 4.149 4.409 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.923 6.266 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.560 3.523 4.263 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.862 4.648 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.749 3.807 1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.348 3.098 2.014 1.00 0.00 H new ATOM 956 N ASP A 60 -9.912 6.005 6.430 1.00 0.00 N ATOM 957 CA ASP A 60 -10.159 6.798 7.633 1.00 0.00 C ATOM 958 C ASP A 60 -9.994 8.288 7.309 1.00 0.00 C ATOM 959 O ASP A 60 -10.842 9.114 7.635 1.00 0.00 O ATOM 960 CB ASP A 60 -9.193 6.347 8.735 1.00 0.00 C ATOM 961 CG ASP A 60 -9.524 6.982 10.078 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.305 6.352 10.823 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.957 8.062 10.347 1.00 0.00 O ATOM 0 H ASP A 60 -9.310 5.197 6.588 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.178 6.646 7.988 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.230 5.262 8.828 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.173 6.608 8.452 1.00 0.00 H new ATOM 968 N VAL A 61 -8.922 8.604 6.575 1.00 0.00 N ATOM 969 CA VAL A 61 -8.659 9.931 6.035 1.00 0.00 C ATOM 970 C VAL A 61 -9.379 10.153 4.692 1.00 0.00 C ATOM 971 O VAL A 61 -9.847 11.257 4.419 1.00 0.00 O ATOM 972 CB VAL A 61 -7.139 10.117 5.923 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.770 11.466 5.289 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.496 10.024 7.311 1.00 0.00 C ATOM 0 H VAL A 61 -8.200 7.924 6.337 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.060 10.688 6.709 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.763 9.323 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.685 11.555 5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.195 11.525 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.168 12.276 5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.418 10.157 7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.906 10.802 7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.706 9.046 7.745 1.00 0.00 H new ATOM 984 N GLY A 62 -9.426 9.145 3.818 1.00 0.00 N ATOM 985 CA GLY A 62 -10.161 9.183 2.555 1.00 0.00 C ATOM 986 C GLY A 62 -9.228 9.438 1.373 1.00 0.00 C ATOM 987 O GLY A 62 -9.253 8.700 0.387 1.00 0.00 O ATOM 0 H GLY A 62 -8.943 8.260 3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.685 8.239 2.409 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.919 9.965 2.597 1.00 0.00 H new ATOM 991 N HIS A 63 -8.423 10.500 1.475 1.00 0.00 N ATOM 992 CA HIS A 63 -7.471 10.961 0.464 1.00 0.00 C ATOM 993 C HIS A 63 -8.134 11.498 -0.818 1.00 0.00 C ATOM 994 O HIS A 63 -9.141 10.980 -1.302 1.00 0.00 O ATOM 995 CB HIS A 63 -6.443 9.880 0.107 1.00 0.00 C ATOM 996 CG HIS A 63 -5.381 9.611 1.140 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.502 8.834 2.270 1.00 0.00 N ATOM 998 CD2 HIS A 63 -4.054 9.911 0.983 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.263 8.695 2.781 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.336 9.315 2.017 1.00 0.00 N ATOM 0 H HIS A 63 -8.419 11.090 2.307 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.957 11.800 0.932 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.977 8.950 -0.087 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.952 10.166 -0.823 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.364 8.440 2.648 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.634 10.510 0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -4.038 8.155 3.689 1.00 0.00 H new ATOM 1008 N SER A 64 -7.528 12.543 -1.391 1.00 0.00 N ATOM 1009 CA SER A 64 -7.956 13.174 -2.634 1.00 0.00 C ATOM 1010 C SER A 64 -7.563 12.354 -3.869 1.00 0.00 C ATOM 1011 O SER A 64 -6.806 11.384 -3.784 1.00 0.00 O ATOM 1012 CB SER A 64 -7.353 14.582 -2.686 1.00 0.00 C ATOM 1013 OG SER A 64 -7.715 15.264 -1.503 1.00 0.00 O ATOM 0 H SER A 64 -6.701 12.983 -0.987 1.00 0.00 H new ATOM 0 HA SER A 64 -9.044 13.230 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.268 14.527 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.719 15.119 -3.561 1.00 0.00 H new ATOM 0 HG SER A 64 -7.336 16.168 -1.517 1.00 0.00 H new ATOM 1019 N THR A 65 -8.078 12.766 -5.034 1.00 0.00 N ATOM 1020 CA THR A 65 -7.796 12.114 -6.306 1.00 0.00 C ATOM 1021 C THR A 65 -6.289 12.082 -6.567 1.00 0.00 C ATOM 1022 O THR A 65 -5.757 11.040 -6.932 1.00 0.00 O ATOM 1023 CB THR A 65 -8.619 12.752 -7.440 1.00 0.00 C ATOM 1024 OG1 THR A 65 -8.627 11.917 -8.578 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.175 14.166 -7.826 1.00 0.00 C ATOM 0 H THR A 65 -8.705 13.566 -5.114 1.00 0.00 H new ATOM 0 HA THR A 65 -8.114 11.072 -6.264 1.00 0.00 H new ATOM 0 HB THR A 65 -9.629 12.854 -7.043 1.00 0.00 H new ATOM 0 HG1 THR A 65 -7.846 12.117 -9.136 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.808 14.539 -8.631 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.263 14.824 -6.961 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.138 14.143 -8.161 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.597 13.193 -6.291 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.155 13.356 -6.393 1.00 0.00 C ATOM 1035 C ASP A 66 -3.435 12.127 -5.854 1.00 0.00 C ATOM 1036 O ASP A 66 -2.646 11.495 -6.553 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.732 14.600 -5.596 1.00 0.00 C ATOM 1038 CG ASP A 66 -4.517 15.839 -6.000 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -5.756 15.788 -5.804 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -3.875 16.791 -6.493 1.00 0.00 O ATOM 0 H ASP A 66 -6.060 14.045 -5.974 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.884 13.478 -7.442 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.875 14.413 -4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.668 14.781 -5.747 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.733 11.775 -4.600 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.190 10.594 -3.965 1.00 0.00 C ATOM 1047 C ALA A 67 -3.517 9.365 -4.796 1.00 0.00 C ATOM 1048 O ALA A 67 -2.603 8.665 -5.204 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.751 10.449 -2.554 1.00 0.00 C ATOM 0 H ALA A 67 -4.362 12.311 -4.002 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.107 10.693 -3.896 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.335 9.556 -2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.483 11.326 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.836 10.361 -2.601 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.805 9.115 -5.050 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.277 7.936 -5.771 1.00 0.00 C ATOM 1057 C ARG A 68 -4.521 7.748 -7.095 1.00 0.00 C ATOM 1058 O ARG A 68 -4.133 6.635 -7.451 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.800 8.003 -5.963 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.456 7.850 -4.584 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.966 8.102 -4.576 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.477 8.047 -3.192 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.710 8.404 -2.796 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.589 8.843 -3.705 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.060 8.307 -1.510 1.00 0.00 N ATOM 0 H ARG A 68 -5.558 9.737 -4.755 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.063 7.051 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.086 8.951 -6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.135 7.213 -6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.265 6.843 -4.213 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.980 8.541 -3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.183 9.076 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.471 7.356 -5.189 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.838 7.708 -2.473 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.320 8.904 -4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.528 9.117 -3.416 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.390 7.961 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -11.998 8.579 -1.215 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.301 8.843 -7.819 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.551 8.865 -9.059 1.00 0.00 C ATOM 1081 C GLU A 69 -2.063 8.613 -8.795 1.00 0.00 C ATOM 1082 O GLU A 69 -1.440 7.807 -9.483 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.801 10.201 -9.766 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.265 10.295 -10.221 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.606 11.694 -10.707 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.998 12.102 -11.719 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.472 12.319 -10.057 1.00 0.00 O ATOM 0 H GLU A 69 -4.652 9.761 -7.546 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.888 8.063 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.568 11.026 -9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.138 10.295 -10.626 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.446 9.576 -11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.922 10.025 -9.395 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.478 9.261 -7.786 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.087 9.020 -7.425 1.00 0.00 C ATOM 1096 C LEU A 70 0.112 7.531 -7.094 1.00 0.00 C ATOM 1097 O LEU A 70 1.089 6.927 -7.529 1.00 0.00 O ATOM 1098 CB LEU A 70 0.354 9.968 -6.289 1.00 0.00 C ATOM 1099 CG LEU A 70 1.826 10.429 -6.374 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.794 9.299 -6.709 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.981 11.553 -7.408 1.00 0.00 C ATOM 0 H LEU A 70 -1.949 9.956 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 70 0.562 9.247 -8.271 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.290 10.847 -6.296 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.198 9.467 -5.334 1.00 0.00 H new ATOM 0 HG LEU A 70 2.084 10.793 -5.380 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.810 9.691 -6.753 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.735 8.529 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.529 8.867 -7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.025 11.864 -7.453 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.667 11.192 -8.387 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.362 12.402 -7.118 1.00 0.00 H new ATOM 1113 N SER A 71 -0.838 6.900 -6.397 1.00 0.00 N ATOM 1114 CA SER A 71 -0.817 5.471 -6.128 1.00 0.00 C ATOM 1115 C SER A 71 -0.532 4.675 -7.401 1.00 0.00 C ATOM 1116 O SER A 71 0.274 3.752 -7.378 1.00 0.00 O ATOM 1117 CB SER A 71 -2.144 5.021 -5.508 1.00 0.00 C ATOM 1118 OG SER A 71 -2.640 5.995 -4.616 1.00 0.00 O ATOM 0 H SER A 71 -1.648 7.378 -6.003 1.00 0.00 H new ATOM 0 HA SER A 71 -0.013 5.276 -5.418 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.875 4.838 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.002 4.078 -4.980 1.00 0.00 H new ATOM 0 HG SER A 71 -3.488 5.687 -4.234 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.157 5.033 -8.526 1.00 0.00 N ATOM 1125 CA LYS A 72 -0.928 4.347 -9.786 1.00 0.00 C ATOM 1126 C LYS A 72 0.557 4.346 -10.160 1.00 0.00 C ATOM 1127 O LYS A 72 1.098 3.309 -10.523 1.00 0.00 O ATOM 1128 CB LYS A 72 -1.837 4.926 -10.876 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.008 3.971 -11.160 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.237 4.727 -11.684 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.453 3.794 -11.829 1.00 0.00 C ATOM 1132 NZ LYS A 72 -5.680 3.363 -13.224 1.00 0.00 N ATOM 0 H LYS A 72 -1.828 5.799 -8.582 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.199 3.297 -9.677 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.219 5.897 -10.562 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.263 5.089 -11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.700 3.224 -11.891 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.271 3.435 -10.248 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.482 5.542 -11.003 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.005 5.177 -12.649 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.308 2.915 -11.201 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.343 4.305 -11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.510 2.737 -13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.847 4.197 -13.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.844 2.851 -13.570 1.00 0.00 H new ATOM 1146 N THR A 73 1.250 5.470 -10.004 1.00 0.00 N ATOM 1147 CA THR A 73 2.698 5.526 -10.189 1.00 0.00 C ATOM 1148 C THR A 73 3.467 4.524 -9.297 1.00 0.00 C ATOM 1149 O THR A 73 4.584 4.148 -9.646 1.00 0.00 O ATOM 1150 CB THR A 73 3.149 6.989 -10.046 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.897 7.668 -11.260 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.612 7.177 -9.657 1.00 0.00 C ATOM 0 H THR A 73 0.828 6.363 -9.748 1.00 0.00 H new ATOM 0 HA THR A 73 2.951 5.191 -11.195 1.00 0.00 H new ATOM 0 HB THR A 73 2.571 7.402 -9.219 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.180 8.603 -11.177 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.834 8.241 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.797 6.698 -8.696 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.251 6.726 -10.416 1.00 0.00 H new ATOM 1160 N TYR A 74 2.890 4.056 -8.183 1.00 0.00 N ATOM 1161 CA TYR A 74 3.503 3.075 -7.287 1.00 0.00 C ATOM 1162 C TYR A 74 2.891 1.675 -7.420 1.00 0.00 C ATOM 1163 O TYR A 74 3.237 0.768 -6.659 1.00 0.00 O ATOM 1164 CB TYR A 74 3.378 3.578 -5.843 1.00 0.00 C ATOM 1165 CG TYR A 74 4.245 4.784 -5.529 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.631 4.710 -5.748 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.684 5.987 -5.058 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.416 5.871 -5.683 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.495 7.131 -4.909 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.844 7.096 -5.310 1.00 0.00 C ATOM 1171 OH TYR A 74 6.650 8.199 -5.332 1.00 0.00 O ATOM 0 H TYR A 74 1.965 4.357 -7.876 1.00 0.00 H new ATOM 0 HA TYR A 74 4.551 2.975 -7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.336 3.832 -5.647 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.642 2.768 -5.163 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.093 3.758 -5.967 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.634 6.033 -4.811 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.468 5.821 -5.922 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.081 8.035 -4.487 1.00 0.00 H new ATOM 0 HH TYR A 74 6.330 8.851 -4.674 1.00 0.00 H new ATOM 1181 N ILE A 75 1.968 1.488 -8.364 1.00 0.00 N ATOM 1182 CA ILE A 75 1.228 0.244 -8.519 1.00 0.00 C ATOM 1183 C ILE A 75 2.168 -0.865 -8.985 1.00 0.00 C ATOM 1184 O ILE A 75 2.684 -0.826 -10.100 1.00 0.00 O ATOM 1185 CB ILE A 75 0.010 0.479 -9.431 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.159 -0.471 -9.143 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.302 0.527 -10.940 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -0.819 -1.951 -9.275 1.00 0.00 C ATOM 0 H ILE A 75 1.714 2.203 -9.045 1.00 0.00 H new ATOM 0 HA ILE A 75 0.826 -0.095 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.289 1.491 -9.156 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.522 -0.284 -8.133 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.977 -0.237 -9.824 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.627 0.697 -11.485 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.000 1.338 -11.150 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.740 -0.420 -11.256 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.703 -2.549 -9.054 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.486 -2.159 -10.292 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.024 -2.206 -8.574 1.00 0.00 H new ATOM 1200 N ILE A 76 2.405 -1.861 -8.127 1.00 0.00 N ATOM 1201 CA ILE A 76 3.224 -3.001 -8.506 1.00 0.00 C ATOM 1202 C ILE A 76 2.367 -4.107 -9.096 1.00 0.00 C ATOM 1203 O ILE A 76 2.815 -4.727 -10.060 1.00 0.00 O ATOM 1204 CB ILE A 76 4.103 -3.510 -7.353 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.351 -3.538 -6.014 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.351 -2.620 -7.280 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.062 -4.386 -4.957 1.00 0.00 C ATOM 0 H ILE A 76 2.042 -1.896 -7.174 1.00 0.00 H new ATOM 0 HA ILE A 76 3.913 -2.659 -9.278 1.00 0.00 H new ATOM 0 HB ILE A 76 4.390 -4.543 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.240 -2.519 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.347 -3.930 -6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.994 -2.960 -6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.895 -2.679 -8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.052 -1.588 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.487 -4.371 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.150 -5.413 -5.313 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.057 -3.980 -4.773 1.00 0.00 H new ATOM 1219 N GLY A 77 1.185 -4.353 -8.521 1.00 0.00 N ATOM 1220 CA GLY A 77 0.309 -5.464 -8.848 1.00 0.00 C ATOM 1221 C GLY A 77 -0.956 -5.357 -7.995 1.00 0.00 C ATOM 1222 O GLY A 77 -1.220 -4.305 -7.409 1.00 0.00 O ATOM 0 H GLY A 77 0.805 -3.755 -7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.053 -5.445 -9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.813 -6.412 -8.659 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.750 -6.424 -7.922 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.076 -6.387 -7.319 1.00 0.00 C ATOM 1228 C GLU A 78 -3.218 -7.520 -6.304 1.00 0.00 C ATOM 1229 O GLU A 78 -2.305 -8.324 -6.132 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.154 -6.386 -8.419 1.00 0.00 C ATOM 1231 CG GLU A 78 -3.910 -5.234 -9.416 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.166 -4.693 -10.098 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.242 -4.715 -9.464 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.043 -4.019 -11.144 1.00 0.00 O ATOM 0 H GLU A 78 -1.488 -7.342 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.217 -5.462 -6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.144 -7.340 -8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.141 -6.282 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.420 -4.415 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.218 -5.579 -10.184 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.335 -7.555 -5.580 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.544 -8.520 -4.514 1.00 0.00 C ATOM 1243 C LEU A 79 -5.111 -9.804 -5.120 1.00 0.00 C ATOM 1244 O LEU A 79 -6.011 -9.727 -5.956 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.476 -7.887 -3.471 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.231 -8.448 -2.062 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.228 -7.307 -1.043 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -6.290 -9.484 -1.681 1.00 0.00 C ATOM 0 H LEU A 79 -5.117 -6.914 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.614 -8.784 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.329 -6.807 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.513 -8.065 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.260 -8.944 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.054 -7.710 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.437 -6.599 -1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.191 -6.797 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.087 -9.860 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.276 -9.021 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.263 -10.310 -2.391 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.563 -10.967 -4.752 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.930 -12.243 -5.357 1.00 0.00 C ATOM 1262 C HIS A 80 -6.455 -12.421 -5.432 1.00 0.00 C ATOM 1263 O HIS A 80 -7.141 -12.226 -4.425 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.265 -13.381 -4.572 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.208 -14.697 -5.304 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.828 -15.869 -4.931 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.399 -14.979 -6.373 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -4.427 -16.826 -5.786 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.562 -16.330 -6.684 1.00 0.00 N ATOM 0 H HIS A 80 -3.852 -11.046 -4.025 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.570 -12.263 -6.386 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.250 -13.081 -4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.805 -13.524 -3.636 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.751 -14.281 -6.883 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.756 -17.854 -5.754 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.112 -16.840 -7.444 1.00 0.00 H new ATOM 1277 N PRO A 81 -7.005 -12.811 -6.598 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.444 -12.848 -6.827 1.00 0.00 C ATOM 1279 C PRO A 81 -9.172 -13.893 -5.971 1.00 0.00 C ATOM 1280 O PRO A 81 -10.397 -13.982 -6.027 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.620 -13.091 -8.331 1.00 0.00 C ATOM 1282 CG PRO A 81 -7.334 -13.811 -8.730 1.00 0.00 C ATOM 1283 CD PRO A 81 -6.294 -13.180 -7.812 1.00 0.00 C ATOM 0 HA PRO A 81 -8.903 -11.908 -6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.501 -13.698 -8.539 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.742 -12.155 -8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.409 -14.888 -8.576 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.093 -13.655 -9.782 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.488 -13.881 -7.595 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.839 -12.306 -8.279 1.00 0.00 H new