USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 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= -1.17 K(o=-0.87,f=-4.6!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.297 K(o=-0.87,f=-2.8) USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 71 SER OG : rot -70:sc= 1.26 USER MOD Set 3.1: A 15 HIS : no HE2:sc= 0.0405 K(o=0.082,f=-0.44) USER MOD Set 3.2: A 20 SER OG : rot 180:sc= 0.041 USER MOD Set 4.1: A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -145:sc= 1.24 (180deg=1.12) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -50:sc= -0.678 USER MOD Single : A 26 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.063) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 98:sc= 1.28 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.463 K(o=-0.46,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot 80:sc= 1.61 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 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 -114:sc= 1.24 USER MOD Single : A 80 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.309 -8.471 -11.360 1.00 0.00 N ATOM 66 CA LYS A 5 1.089 -8.747 -10.164 1.00 0.00 C ATOM 67 C LYS A 5 0.143 -9.170 -9.037 1.00 0.00 C ATOM 68 O LYS A 5 -0.048 -8.484 -8.041 1.00 0.00 O ATOM 69 CB LYS A 5 1.995 -7.543 -9.920 1.00 0.00 C ATOM 70 CG LYS A 5 3.228 -7.586 -10.835 1.00 0.00 C ATOM 71 CD LYS A 5 4.499 -7.951 -10.059 1.00 0.00 C ATOM 72 CE LYS A 5 5.094 -6.726 -9.336 1.00 0.00 C ATOM 73 NZ LYS A 5 6.568 -6.743 -9.347 1.00 0.00 N ATOM 0 HA LYS A 5 1.767 -9.596 -10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.438 -6.623 -10.097 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.312 -7.528 -8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.066 -8.314 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.360 -6.615 -11.313 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.270 -8.729 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.239 -8.364 -10.745 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.738 -5.814 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.739 -6.705 -8.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.929 -5.903 -8.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.909 -7.601 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.908 -6.737 -10.330 1.00 0.00 H new ATOM 87 N TYR A 6 -0.497 -10.320 -9.238 1.00 0.00 N ATOM 88 CA TYR A 6 -1.418 -10.893 -8.273 1.00 0.00 C ATOM 89 C TYR A 6 -0.659 -11.507 -7.094 1.00 0.00 C ATOM 90 O TYR A 6 0.014 -12.517 -7.291 1.00 0.00 O ATOM 91 CB TYR A 6 -2.272 -11.957 -8.963 1.00 0.00 C ATOM 92 CG TYR A 6 -3.382 -11.426 -9.851 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.348 -10.544 -9.325 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.557 -11.953 -11.143 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.449 -10.155 -10.106 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.638 -11.536 -11.938 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.583 -10.632 -11.419 1.00 0.00 C ATOM 98 OH TYR A 6 -6.618 -10.201 -12.193 1.00 0.00 O ATOM 0 H TYR A 6 -0.387 -10.881 -10.083 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.061 -10.103 -7.884 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.619 -12.588 -9.565 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.715 -12.595 -8.198 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.241 -10.166 -8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -2.858 -12.681 -11.526 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.193 -9.488 -9.696 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.743 -11.909 -12.946 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.566 -10.626 -13.075 1.00 0.00 H new ATOM 108 N TYR A 7 -0.801 -10.946 -5.886 1.00 0.00 N ATOM 109 CA TYR A 7 -0.084 -11.389 -4.690 1.00 0.00 C ATOM 110 C TYR A 7 -1.028 -11.831 -3.568 1.00 0.00 C ATOM 111 O TYR A 7 -2.095 -11.250 -3.384 1.00 0.00 O ATOM 112 CB TYR A 7 0.764 -10.229 -4.186 1.00 0.00 C ATOM 113 CG TYR A 7 1.962 -9.903 -5.047 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.019 -10.824 -5.122 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.080 -8.647 -5.667 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.188 -10.502 -5.827 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.264 -8.313 -6.344 1.00 0.00 C ATOM 118 CZ TYR A 7 4.309 -9.250 -6.448 1.00 0.00 C ATOM 119 OH TYR A 7 5.476 -8.919 -7.078 1.00 0.00 O ATOM 0 H TYR A 7 -1.427 -10.160 -5.713 1.00 0.00 H new ATOM 0 HA TYR A 7 0.526 -12.250 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.135 -9.342 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.110 -10.460 -3.178 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.932 -11.784 -4.635 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.263 -7.942 -5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.994 -11.217 -5.892 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.373 -7.334 -6.786 1.00 0.00 H new ATOM 0 HH TYR A 7 5.903 -9.731 -7.424 1.00 0.00 H new ATOM 129 N THR A 8 -0.635 -12.859 -2.809 1.00 0.00 N ATOM 130 CA THR A 8 -1.418 -13.434 -1.726 1.00 0.00 C ATOM 131 C THR A 8 -1.276 -12.625 -0.433 1.00 0.00 C ATOM 132 O THR A 8 -0.403 -11.771 -0.298 1.00 0.00 O ATOM 133 CB THR A 8 -0.916 -14.864 -1.488 1.00 0.00 C ATOM 134 OG1 THR A 8 0.489 -14.812 -1.361 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.268 -15.800 -2.645 1.00 0.00 C ATOM 0 H THR A 8 0.264 -13.323 -2.940 1.00 0.00 H new ATOM 0 HA THR A 8 -2.471 -13.424 -2.006 1.00 0.00 H new ATOM 0 HB THR A 8 -1.395 -15.254 -0.590 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.837 -15.715 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.892 -16.800 -2.431 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.351 -15.837 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.813 -15.430 -3.564 1.00 0.00 H new ATOM 143 N LEU A 9 -2.126 -12.920 0.553 1.00 0.00 N ATOM 144 CA LEU A 9 -2.232 -12.127 1.760 1.00 0.00 C ATOM 145 C LEU A 9 -0.957 -12.255 2.579 1.00 0.00 C ATOM 146 O LEU A 9 -0.265 -11.261 2.766 1.00 0.00 O ATOM 147 CB LEU A 9 -3.460 -12.553 2.572 1.00 0.00 C ATOM 148 CG LEU A 9 -4.812 -12.216 1.925 1.00 0.00 C ATOM 149 CD1 LEU A 9 -4.982 -10.713 1.672 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.063 -13.002 0.634 1.00 0.00 C ATOM 0 H LEU A 9 -2.758 -13.720 0.528 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.359 -11.079 1.489 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.412 -13.629 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.413 -12.076 3.551 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.563 -12.523 2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.954 -10.529 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.919 -10.175 2.618 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.194 -10.365 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.033 -12.723 0.221 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.281 -12.772 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.054 -14.070 0.851 1.00 0.00 H new ATOM 162 N GLU A 10 -0.632 -13.467 3.049 1.00 0.00 N ATOM 163 CA GLU A 10 0.543 -13.688 3.881 1.00 0.00 C ATOM 164 C GLU A 10 1.788 -13.067 3.239 1.00 0.00 C ATOM 165 O GLU A 10 2.561 -12.391 3.915 1.00 0.00 O ATOM 166 CB GLU A 10 0.752 -15.184 4.182 1.00 0.00 C ATOM 167 CG GLU A 10 1.861 -15.267 5.243 1.00 0.00 C ATOM 168 CD GLU A 10 2.330 -16.649 5.648 1.00 0.00 C ATOM 169 OE1 GLU A 10 1.812 -17.643 5.100 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.249 -16.640 6.504 1.00 0.00 O ATOM 0 H GLU A 10 -1.175 -14.310 2.862 1.00 0.00 H new ATOM 0 HA GLU A 10 0.373 -13.190 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.169 -15.638 4.548 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.038 -15.725 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.724 -14.712 4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.511 -14.753 6.138 1.00 0.00 H new ATOM 177 N GLU A 11 1.970 -13.292 1.935 1.00 0.00 N ATOM 178 CA GLU A 11 3.085 -12.737 1.189 1.00 0.00 C ATOM 179 C GLU A 11 3.108 -11.217 1.336 1.00 0.00 C ATOM 180 O GLU A 11 4.094 -10.640 1.789 1.00 0.00 O ATOM 181 CB GLU A 11 2.992 -13.189 -0.273 1.00 0.00 C ATOM 182 CG GLU A 11 4.212 -12.731 -1.083 1.00 0.00 C ATOM 183 CD GLU A 11 4.549 -13.717 -2.193 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.835 -14.882 -1.841 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.514 -13.291 -3.365 1.00 0.00 O ATOM 0 H GLU A 11 1.343 -13.867 1.372 1.00 0.00 H new ATOM 0 HA GLU A 11 4.030 -13.106 1.588 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.914 -14.275 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.084 -12.786 -0.722 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.016 -11.750 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.070 -12.622 -0.420 1.00 0.00 H new ATOM 192 N ILE A 12 2.002 -10.549 1.019 1.00 0.00 N ATOM 193 CA ILE A 12 1.922 -9.107 1.194 1.00 0.00 C ATOM 194 C ILE A 12 2.199 -8.708 2.651 1.00 0.00 C ATOM 195 O ILE A 12 2.916 -7.743 2.911 1.00 0.00 O ATOM 196 CB ILE A 12 0.566 -8.617 0.673 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.415 -8.857 -0.839 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.396 -7.130 0.963 1.00 0.00 C ATOM 199 CD1 ILE A 12 1.344 -7.991 -1.668 1.00 0.00 C ATOM 0 H ILE A 12 1.158 -10.981 0.643 1.00 0.00 H new ATOM 0 HA ILE A 12 2.699 -8.614 0.609 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.205 -9.188 1.190 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.613 -9.906 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.616 -8.660 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.571 -6.794 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.447 -6.961 2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.191 -6.570 0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.192 -8.204 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.130 -6.940 -1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.378 -8.206 -1.399 1.00 0.00 H new ATOM 211 N GLN A 13 1.688 -9.485 3.604 1.00 0.00 N ATOM 212 CA GLN A 13 1.882 -9.294 5.031 1.00 0.00 C ATOM 213 C GLN A 13 3.335 -9.543 5.469 1.00 0.00 C ATOM 214 O GLN A 13 3.675 -9.263 6.618 1.00 0.00 O ATOM 215 CB GLN A 13 0.876 -10.179 5.790 1.00 0.00 C ATOM 216 CG GLN A 13 -0.090 -9.344 6.640 1.00 0.00 C ATOM 217 CD GLN A 13 -1.316 -10.146 7.063 1.00 0.00 C ATOM 218 OE1 GLN A 13 -2.135 -10.515 6.229 1.00 0.00 O ATOM 219 NE2 GLN A 13 -1.464 -10.428 8.354 1.00 0.00 N ATOM 0 H GLN A 13 1.106 -10.295 3.390 1.00 0.00 H new ATOM 0 HA GLN A 13 1.692 -8.249 5.277 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.309 -10.777 5.077 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.416 -10.875 6.432 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.429 -8.980 7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.407 -8.468 6.074 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.768 -10.110 9.029 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.273 -10.963 8.670 1.00 0.00 H new ATOM 228 N LYS A 14 4.200 -10.045 4.580 1.00 0.00 N ATOM 229 CA LYS A 14 5.621 -10.211 4.846 1.00 0.00 C ATOM 230 C LYS A 14 6.354 -8.890 4.577 1.00 0.00 C ATOM 231 O LYS A 14 7.251 -8.522 5.332 1.00 0.00 O ATOM 232 CB LYS A 14 6.174 -11.402 4.029 1.00 0.00 C ATOM 233 CG LYS A 14 6.674 -12.559 4.905 1.00 0.00 C ATOM 234 CD LYS A 14 5.509 -13.254 5.634 1.00 0.00 C ATOM 235 CE LYS A 14 6.009 -14.385 6.548 1.00 0.00 C ATOM 236 NZ LYS A 14 4.960 -14.879 7.470 1.00 0.00 N ATOM 0 H LYS A 14 3.923 -10.349 3.647 1.00 0.00 H new ATOM 0 HA LYS A 14 5.788 -10.454 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.394 -11.770 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.992 -11.053 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.203 -13.284 4.286 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.389 -12.182 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.961 -12.522 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.810 -13.659 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.367 -15.212 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.859 -14.028 7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.392 -15.143 8.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.255 -14.131 7.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.495 -15.711 7.053 1.00 0.00 H new ATOM 250 N HIS A 15 5.964 -8.157 3.528 1.00 0.00 N ATOM 251 CA HIS A 15 6.628 -6.920 3.121 1.00 0.00 C ATOM 252 C HIS A 15 6.149 -5.733 3.971 1.00 0.00 C ATOM 253 O HIS A 15 5.295 -4.952 3.542 1.00 0.00 O ATOM 254 CB HIS A 15 6.382 -6.686 1.624 1.00 0.00 C ATOM 255 CG HIS A 15 7.151 -7.620 0.721 1.00 0.00 C ATOM 256 ND1 HIS A 15 8.259 -7.299 -0.036 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.883 -8.946 0.513 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.644 -8.415 -0.678 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.840 -9.445 -0.376 1.00 0.00 N ATOM 0 H HIS A 15 5.173 -8.410 2.936 1.00 0.00 H new ATOM 0 HA HIS A 15 7.701 -7.011 3.287 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.317 -6.795 1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.650 -5.658 1.379 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.704 -6.383 -0.097 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.075 -9.508 0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.489 -8.475 -1.348 1.00 0.00 H new ATOM 267 N LYS A 16 6.720 -5.572 5.171 1.00 0.00 N ATOM 268 CA LYS A 16 6.387 -4.454 6.057 1.00 0.00 C ATOM 269 C LYS A 16 7.545 -4.053 6.976 1.00 0.00 C ATOM 270 O LYS A 16 7.344 -3.617 8.114 1.00 0.00 O ATOM 271 CB LYS A 16 5.111 -4.773 6.838 1.00 0.00 C ATOM 272 CG LYS A 16 5.133 -6.182 7.444 1.00 0.00 C ATOM 273 CD LYS A 16 4.248 -6.217 8.693 1.00 0.00 C ATOM 274 CE LYS A 16 5.010 -5.674 9.917 1.00 0.00 C ATOM 275 NZ LYS A 16 4.246 -4.638 10.646 1.00 0.00 N ATOM 0 H LYS A 16 7.420 -6.209 5.551 1.00 0.00 H new ATOM 0 HA LYS A 16 6.203 -3.579 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.983 -4.040 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.250 -4.678 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.778 -6.909 6.713 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.154 -6.462 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.350 -5.623 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.923 -7.239 8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.237 -6.497 10.594 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.963 -5.257 9.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.801 -4.305 11.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.051 -3.839 10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.348 -5.041 10.981 1.00 0.00 H new ATOM 334 N SER A 20 11.182 -2.250 2.848 1.00 0.00 N ATOM 335 CA SER A 20 10.279 -3.179 2.180 1.00 0.00 C ATOM 336 C SER A 20 8.849 -2.971 2.691 1.00 0.00 C ATOM 337 O SER A 20 8.220 -3.911 3.167 1.00 0.00 O ATOM 338 CB SER A 20 10.761 -4.624 2.384 1.00 0.00 C ATOM 339 OG SER A 20 10.161 -5.460 1.410 1.00 0.00 O ATOM 0 HA SER A 20 10.279 -2.985 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.847 -4.672 2.302 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.501 -4.968 3.385 1.00 0.00 H new ATOM 0 HG SER A 20 10.468 -6.382 1.537 1.00 0.00 H new ATOM 345 N THR A 21 8.332 -1.741 2.615 1.00 0.00 N ATOM 346 CA THR A 21 7.028 -1.371 3.121 1.00 0.00 C ATOM 347 C THR A 21 5.998 -1.386 1.988 1.00 0.00 C ATOM 348 O THR A 21 5.975 -0.476 1.154 1.00 0.00 O ATOM 349 CB THR A 21 7.156 0.014 3.758 1.00 0.00 C ATOM 350 OG1 THR A 21 8.080 -0.045 4.831 1.00 0.00 O ATOM 351 CG2 THR A 21 5.799 0.423 4.309 1.00 0.00 C ATOM 0 H THR A 21 8.831 -0.962 2.186 1.00 0.00 H new ATOM 0 HA THR A 21 6.681 -2.083 3.870 1.00 0.00 H new ATOM 0 HB THR A 21 7.499 0.732 3.013 1.00 0.00 H new ATOM 0 HG1 THR A 21 7.849 -0.792 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.874 1.409 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.071 0.454 3.498 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.477 -0.301 5.058 1.00 0.00 H new ATOM 359 N TRP A 22 5.125 -2.396 1.979 1.00 0.00 N ATOM 360 CA TRP A 22 4.033 -2.508 1.022 1.00 0.00 C ATOM 361 C TRP A 22 2.691 -2.240 1.695 1.00 0.00 C ATOM 362 O TRP A 22 2.566 -2.381 2.907 1.00 0.00 O ATOM 363 CB TRP A 22 4.042 -3.911 0.438 1.00 0.00 C ATOM 364 CG TRP A 22 5.120 -4.214 -0.555 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.265 -3.535 -0.787 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.069 -5.247 -1.564 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.892 -4.060 -1.899 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.202 -5.134 -2.412 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.108 -6.211 -1.891 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.377 -5.957 -3.534 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.270 -7.051 -3.003 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.414 -6.939 -3.816 1.00 0.00 C ATOM 0 H TRP A 22 5.161 -3.166 2.647 1.00 0.00 H new ATOM 0 HA TRP A 22 4.170 -1.768 0.234 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.126 -4.622 1.260 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.078 -4.088 -0.040 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.632 -2.710 -0.195 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.760 -3.696 -2.292 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.226 -6.310 -1.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.240 -5.837 -4.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.514 -7.786 -3.236 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.550 -7.606 -4.654 1.00 0.00 H new ATOM 383 N VAL A 23 1.676 -1.879 0.910 1.00 0.00 N ATOM 384 CA VAL A 23 0.336 -1.549 1.388 1.00 0.00 C ATOM 385 C VAL A 23 -0.684 -2.033 0.358 1.00 0.00 C ATOM 386 O VAL A 23 -0.355 -2.186 -0.816 1.00 0.00 O ATOM 387 CB VAL A 23 0.190 -0.027 1.604 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.546 0.410 3.026 1.00 0.00 C ATOM 389 CG2 VAL A 23 1.054 0.785 0.639 1.00 0.00 C ATOM 0 H VAL A 23 1.767 -1.806 -0.103 1.00 0.00 H new ATOM 0 HA VAL A 23 0.163 -2.041 2.345 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.865 0.173 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.424 1.489 3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.113 -0.090 3.736 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.581 0.143 3.241 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.915 1.849 0.833 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.103 0.524 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.762 0.562 -0.387 1.00 0.00 H new ATOM 399 N ILE A 24 -1.925 -2.268 0.795 1.00 0.00 N ATOM 400 CA ILE A 24 -3.032 -2.664 -0.055 1.00 0.00 C ATOM 401 C ILE A 24 -4.194 -1.711 0.181 1.00 0.00 C ATOM 402 O ILE A 24 -4.588 -1.505 1.330 1.00 0.00 O ATOM 403 CB ILE A 24 -3.394 -4.134 0.170 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.833 -4.461 1.597 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.173 -4.990 -0.142 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.327 -4.784 1.675 1.00 0.00 C ATOM 0 H ILE A 24 -2.186 -2.183 1.778 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.751 -2.592 -1.106 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.240 -4.342 -0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.258 -5.310 1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.610 -3.616 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.416 -6.041 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.876 -4.836 -1.180 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.352 -4.706 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.597 -5.011 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.903 -3.926 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.546 -5.646 1.045 1.00 0.00 H new ATOM 418 N LEU A 25 -4.663 -1.071 -0.895 1.00 0.00 N ATOM 419 CA LEU A 25 -5.698 -0.052 -0.848 1.00 0.00 C ATOM 420 C LEU A 25 -6.775 -0.462 -1.853 1.00 0.00 C ATOM 421 O LEU A 25 -6.550 -0.374 -3.058 1.00 0.00 O ATOM 422 CB LEU A 25 -5.140 1.349 -1.153 1.00 0.00 C ATOM 423 CG LEU A 25 -3.754 1.659 -0.559 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.406 3.102 -0.891 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.675 1.553 0.960 1.00 0.00 C ATOM 0 H LEU A 25 -4.322 -1.256 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.117 0.014 0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.087 1.471 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.848 2.091 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.078 0.919 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.426 3.344 -0.479 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.387 3.232 -1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.155 3.766 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.663 1.788 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.376 2.256 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.930 0.539 1.268 1.00 0.00 H new ATOM 437 N HIS A 26 -7.931 -0.935 -1.380 1.00 0.00 N ATOM 438 CA HIS A 26 -9.022 -1.398 -2.239 1.00 0.00 C ATOM 439 C HIS A 26 -8.550 -2.531 -3.160 1.00 0.00 C ATOM 440 O HIS A 26 -8.595 -2.392 -4.383 1.00 0.00 O ATOM 441 CB HIS A 26 -9.611 -0.240 -3.065 1.00 0.00 C ATOM 442 CG HIS A 26 -10.089 0.928 -2.249 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.397 1.219 -1.937 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.306 1.943 -1.769 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.399 2.384 -1.266 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.148 2.863 -1.153 1.00 0.00 N ATOM 0 H HIS A 26 -8.137 -1.008 -0.384 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.810 -1.786 -1.593 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.855 0.109 -3.768 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.445 -0.619 -3.656 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.232 2.016 -1.853 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.281 2.867 -0.873 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.870 3.734 -0.702 1.00 0.00 H new ATOM 454 N HIS A 27 -8.091 -3.646 -2.575 1.00 0.00 N ATOM 455 CA HIS A 27 -7.525 -4.819 -3.252 1.00 0.00 C ATOM 456 C HIS A 27 -6.171 -4.535 -3.909 1.00 0.00 C ATOM 457 O HIS A 27 -5.218 -5.286 -3.723 1.00 0.00 O ATOM 458 CB HIS A 27 -8.489 -5.455 -4.271 1.00 0.00 C ATOM 459 CG HIS A 27 -9.566 -6.318 -3.668 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.923 -6.141 -3.816 1.00 0.00 N ATOM 461 CD2 HIS A 27 -9.373 -7.523 -3.047 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.530 -7.214 -3.283 1.00 0.00 C ATOM 463 NE2 HIS A 27 -10.627 -8.087 -2.813 1.00 0.00 N ATOM 0 H HIS A 27 -8.106 -3.759 -1.561 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.363 -5.544 -2.454 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.961 -4.660 -4.849 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.910 -6.057 -4.971 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.420 -7.959 -2.785 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.600 -7.355 -3.239 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.819 -8.986 -2.371 1.00 0.00 H new ATOM 471 N LYS A 28 -6.094 -3.490 -4.728 1.00 0.00 N ATOM 472 CA LYS A 28 -4.878 -3.090 -5.409 1.00 0.00 C ATOM 473 C LYS A 28 -3.723 -2.950 -4.410 1.00 0.00 C ATOM 474 O LYS A 28 -3.901 -2.393 -3.323 1.00 0.00 O ATOM 475 CB LYS A 28 -5.159 -1.800 -6.179 1.00 0.00 C ATOM 476 CG LYS A 28 -6.008 -2.126 -7.414 1.00 0.00 C ATOM 477 CD LYS A 28 -6.503 -0.848 -8.105 1.00 0.00 C ATOM 478 CE LYS A 28 -6.999 -1.171 -9.522 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.275 -1.913 -9.514 1.00 0.00 N ATOM 0 H LYS A 28 -6.892 -2.890 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.567 -3.853 -6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.682 -1.088 -5.541 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.223 -1.330 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.420 -2.717 -8.116 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.862 -2.737 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.308 -0.400 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.697 -0.115 -8.152 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.124 -0.244 -10.081 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.243 -1.758 -10.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.569 -2.108 -10.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.151 -2.811 -9.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.005 -1.344 -9.040 1.00 0.00 H new ATOM 493 N VAL A 29 -2.557 -3.492 -4.776 1.00 0.00 N ATOM 494 CA VAL A 29 -1.359 -3.505 -3.956 1.00 0.00 C ATOM 495 C VAL A 29 -0.395 -2.439 -4.478 1.00 0.00 C ATOM 496 O VAL A 29 -0.110 -2.355 -5.679 1.00 0.00 O ATOM 497 CB VAL A 29 -0.728 -4.910 -3.914 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.514 -4.908 -3.008 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.736 -5.958 -3.414 1.00 0.00 C ATOM 0 H VAL A 29 -2.425 -3.946 -5.680 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.611 -3.263 -2.924 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.434 -5.175 -4.929 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.951 -5.907 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.246 -4.200 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.227 -4.616 -1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.262 -6.939 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.066 -5.695 -2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.596 -5.984 -4.083 1.00 0.00 H new ATOM 509 N TYR A 30 0.103 -1.628 -3.546 1.00 0.00 N ATOM 510 CA TYR A 30 0.986 -0.508 -3.781 1.00 0.00 C ATOM 511 C TYR A 30 2.270 -0.744 -2.992 1.00 0.00 C ATOM 512 O TYR A 30 2.228 -1.301 -1.890 1.00 0.00 O ATOM 513 CB TYR A 30 0.281 0.778 -3.340 1.00 0.00 C ATOM 514 CG TYR A 30 -1.044 1.004 -4.034 1.00 0.00 C ATOM 515 CD1 TYR A 30 -2.213 0.399 -3.543 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.086 1.709 -5.244 1.00 0.00 C ATOM 517 CE1 TYR A 30 -3.427 0.560 -4.226 1.00 0.00 C ATOM 518 CE2 TYR A 30 -2.300 1.846 -5.943 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.478 1.299 -5.416 1.00 0.00 C ATOM 520 OH TYR A 30 -4.658 1.427 -6.084 1.00 0.00 O ATOM 0 H TYR A 30 -0.116 -1.749 -2.557 1.00 0.00 H new ATOM 0 HA TYR A 30 1.236 -0.410 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.117 0.743 -2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.935 1.628 -3.536 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.177 -0.191 -2.639 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.184 2.149 -5.642 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.328 0.112 -3.833 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.324 2.373 -6.886 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.521 1.970 -6.888 1.00 0.00 H new ATOM 530 N ASP A 31 3.404 -0.332 -3.558 1.00 0.00 N ATOM 531 CA ASP A 31 4.692 -0.394 -2.882 1.00 0.00 C ATOM 532 C ASP A 31 5.124 1.032 -2.590 1.00 0.00 C ATOM 533 O ASP A 31 5.284 1.821 -3.522 1.00 0.00 O ATOM 534 CB ASP A 31 5.728 -1.111 -3.748 1.00 0.00 C ATOM 535 CG ASP A 31 7.055 -1.295 -3.025 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.242 -0.645 -1.976 1.00 0.00 O ATOM 537 OD2 ASP A 31 7.856 -2.141 -3.477 1.00 0.00 O ATOM 0 H ASP A 31 3.452 0.055 -4.501 1.00 0.00 H new ATOM 0 HA ASP A 31 4.606 -0.961 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.340 -2.085 -4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.891 -0.541 -4.663 1.00 0.00 H new ATOM 542 N LEU A 32 5.293 1.363 -1.308 1.00 0.00 N ATOM 543 CA LEU A 32 5.754 2.678 -0.905 1.00 0.00 C ATOM 544 C LEU A 32 7.145 2.600 -0.273 1.00 0.00 C ATOM 545 O LEU A 32 7.572 3.538 0.394 1.00 0.00 O ATOM 546 CB LEU A 32 4.735 3.316 0.038 1.00 0.00 C ATOM 547 CG LEU A 32 3.305 3.420 -0.527 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.506 4.294 0.439 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.172 3.955 -1.962 1.00 0.00 C ATOM 0 H LEU A 32 5.114 0.727 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 32 5.843 3.311 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.704 2.738 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.080 4.316 0.300 1.00 0.00 H new ATOM 0 HG LEU A 32 2.924 2.402 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.483 4.395 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.497 3.832 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.967 5.280 0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.120 3.981 -2.245 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.587 4.962 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.715 3.302 -2.645 1.00 0.00 H new ATOM 561 N THR A 33 7.893 1.526 -0.526 1.00 0.00 N ATOM 562 CA THR A 33 9.248 1.318 -0.034 1.00 0.00 C ATOM 563 C THR A 33 10.172 2.503 -0.323 1.00 0.00 C ATOM 564 O THR A 33 10.982 2.880 0.525 1.00 0.00 O ATOM 565 CB THR A 33 9.774 0.014 -0.641 1.00 0.00 C ATOM 566 OG1 THR A 33 9.006 -1.042 -0.109 1.00 0.00 O ATOM 567 CG2 THR A 33 11.243 -0.221 -0.321 1.00 0.00 C ATOM 0 H THR A 33 7.557 0.752 -1.099 1.00 0.00 H new ATOM 0 HA THR A 33 9.228 1.241 1.053 1.00 0.00 H new ATOM 0 HB THR A 33 9.689 0.071 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.298 -1.283 -0.742 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.569 -1.158 -0.773 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.838 0.601 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.376 -0.274 0.760 1.00 0.00 H new ATOM 575 N LYS A 34 10.075 3.082 -1.522 1.00 0.00 N ATOM 576 CA LYS A 34 10.835 4.265 -1.893 1.00 0.00 C ATOM 577 C LYS A 34 9.996 5.541 -1.797 1.00 0.00 C ATOM 578 O LYS A 34 10.408 6.578 -2.306 1.00 0.00 O ATOM 579 CB LYS A 34 11.387 4.087 -3.306 1.00 0.00 C ATOM 580 CG LYS A 34 12.426 2.962 -3.404 1.00 0.00 C ATOM 581 CD LYS A 34 13.386 3.330 -4.549 1.00 0.00 C ATOM 582 CE LYS A 34 13.986 2.144 -5.312 1.00 0.00 C ATOM 583 NZ LYS A 34 14.897 1.318 -4.495 1.00 0.00 N ATOM 0 H LYS A 34 9.463 2.738 -2.262 1.00 0.00 H new ATOM 0 HA LYS A 34 11.659 4.377 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.564 3.875 -3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.840 5.023 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.969 2.857 -2.465 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.941 2.006 -3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.853 3.964 -5.258 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.201 3.926 -4.139 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.177 1.517 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.528 2.518 -6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.267 0.535 -5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.688 1.903 -4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.379 0.933 -3.679 1.00 0.00 H new ATOM 597 N PHE A 35 8.837 5.475 -1.141 1.00 0.00 N ATOM 598 CA PHE A 35 7.957 6.614 -0.938 1.00 0.00 C ATOM 599 C PHE A 35 7.758 6.893 0.554 1.00 0.00 C ATOM 600 O PHE A 35 7.083 7.851 0.905 1.00 0.00 O ATOM 601 CB PHE A 35 6.644 6.355 -1.676 1.00 0.00 C ATOM 602 CG PHE A 35 5.610 7.460 -1.608 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.898 8.751 -2.087 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.354 7.194 -1.042 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.921 9.759 -2.017 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.358 8.175 -1.038 1.00 0.00 C ATOM 607 CZ PHE A 35 3.646 9.469 -1.498 1.00 0.00 C ATOM 0 H PHE A 35 8.482 4.611 -0.731 1.00 0.00 H new ATOM 0 HA PHE A 35 8.407 7.517 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.872 6.163 -2.724 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.199 5.444 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.869 8.967 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.155 6.226 -0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.149 10.757 -2.362 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.367 7.937 -0.681 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.891 10.240 -1.454 1.00 0.00 H new ATOM 617 N LEU A 36 8.357 6.090 1.439 1.00 0.00 N ATOM 618 CA LEU A 36 8.184 6.209 2.873 1.00 0.00 C ATOM 619 C LEU A 36 8.422 7.648 3.340 1.00 0.00 C ATOM 620 O LEU A 36 7.501 8.310 3.807 1.00 0.00 O ATOM 621 CB LEU A 36 9.131 5.227 3.583 1.00 0.00 C ATOM 622 CG LEU A 36 8.634 3.777 3.665 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.636 2.916 4.453 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.240 3.699 4.305 1.00 0.00 C ATOM 0 H LEU A 36 8.982 5.332 1.166 1.00 0.00 H new ATOM 0 HA LEU A 36 7.155 5.956 3.130 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.091 5.236 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.311 5.589 4.595 1.00 0.00 H new ATOM 0 HG LEU A 36 8.556 3.389 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.272 1.890 4.504 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.604 2.933 3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.743 3.314 5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.917 2.659 4.348 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.280 4.109 5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.533 4.274 3.707 1.00 0.00 H new ATOM 636 N GLU A 37 9.652 8.145 3.206 1.00 0.00 N ATOM 637 CA GLU A 37 9.963 9.503 3.631 1.00 0.00 C ATOM 638 C GLU A 37 9.347 10.531 2.675 1.00 0.00 C ATOM 639 O GLU A 37 8.804 11.539 3.119 1.00 0.00 O ATOM 640 CB GLU A 37 11.480 9.662 3.794 1.00 0.00 C ATOM 641 CG GLU A 37 11.830 11.038 4.381 1.00 0.00 C ATOM 642 CD GLU A 37 12.954 10.944 5.404 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.070 10.577 4.982 1.00 0.00 O ATOM 644 OE2 GLU A 37 12.668 11.227 6.588 1.00 0.00 O ATOM 0 H GLU A 37 10.439 7.631 2.810 1.00 0.00 H new ATOM 0 HA GLU A 37 9.513 9.693 4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.864 8.877 4.445 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.968 9.541 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.125 11.712 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.946 11.469 4.850 1.00 0.00 H new ATOM 651 N GLU A 38 9.420 10.273 1.362 1.00 0.00 N ATOM 652 CA GLU A 38 8.875 11.170 0.345 1.00 0.00 C ATOM 653 C GLU A 38 7.404 11.520 0.613 1.00 0.00 C ATOM 654 O GLU A 38 6.988 12.649 0.364 1.00 0.00 O ATOM 655 CB GLU A 38 9.035 10.553 -1.054 1.00 0.00 C ATOM 656 CG GLU A 38 10.317 10.964 -1.800 1.00 0.00 C ATOM 657 CD GLU A 38 10.010 11.454 -3.214 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.186 12.386 -3.324 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.596 10.882 -4.158 1.00 0.00 O ATOM 0 H GLU A 38 9.859 9.436 0.980 1.00 0.00 H new ATOM 0 HA GLU A 38 9.443 12.099 0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.019 9.467 -0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.173 10.834 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.826 11.751 -1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.999 10.115 -1.848 1.00 0.00 H new ATOM 666 N HIS A 39 6.611 10.556 1.086 1.00 0.00 N ATOM 667 CA HIS A 39 5.202 10.736 1.403 1.00 0.00 C ATOM 668 C HIS A 39 4.977 12.000 2.244 1.00 0.00 C ATOM 669 O HIS A 39 5.401 12.033 3.402 1.00 0.00 O ATOM 670 CB HIS A 39 4.675 9.487 2.115 1.00 0.00 C ATOM 671 CG HIS A 39 3.272 9.616 2.645 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.938 9.695 3.971 1.00 0.00 N ATOM 673 CD2 HIS A 39 2.107 9.573 1.930 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.597 9.698 4.051 1.00 0.00 C ATOM 675 NE2 HIS A 39 1.037 9.584 2.830 1.00 0.00 N ATOM 0 H HIS A 39 6.944 9.608 1.262 1.00 0.00 H new ATOM 0 HA HIS A 39 4.645 10.871 0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.712 8.646 1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.342 9.248 2.943 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.589 9.743 4.755 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.027 9.537 0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 39 1.040 9.781 4.973 1.00 0.00 H new ATOM 683 N PRO A 40 4.291 13.025 1.699 1.00 0.00 N ATOM 684 CA PRO A 40 4.037 14.279 2.390 1.00 0.00 C ATOM 685 C PRO A 40 3.016 14.038 3.502 1.00 0.00 C ATOM 686 O PRO A 40 1.826 14.314 3.363 1.00 0.00 O ATOM 687 CB PRO A 40 3.557 15.266 1.324 1.00 0.00 C ATOM 688 CG PRO A 40 2.988 14.382 0.220 1.00 0.00 C ATOM 689 CD PRO A 40 3.704 13.042 0.368 1.00 0.00 C ATOM 0 HA PRO A 40 4.921 14.690 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.801 15.943 1.721 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.376 15.884 0.956 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.909 14.265 0.326 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.167 14.817 -0.763 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.006 12.214 0.243 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.473 12.928 -0.396 1.00 0.00 H new ATOM 697 N GLY A 41 3.516 13.484 4.601 1.00 0.00 N ATOM 698 CA GLY A 41 2.738 12.996 5.720 1.00 0.00 C ATOM 699 C GLY A 41 3.631 12.173 6.643 1.00 0.00 C ATOM 700 O GLY A 41 3.436 12.199 7.855 1.00 0.00 O ATOM 0 H GLY A 41 4.519 13.360 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.305 13.833 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.909 12.387 5.361 1.00 0.00 H new ATOM 704 N GLY A 42 4.615 11.450 6.085 1.00 0.00 N ATOM 705 CA GLY A 42 5.557 10.683 6.881 1.00 0.00 C ATOM 706 C GLY A 42 5.744 9.263 6.410 1.00 0.00 C ATOM 707 O GLY A 42 4.963 8.778 5.594 1.00 0.00 O ATOM 0 H GLY A 42 4.770 11.387 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.523 11.189 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.216 10.670 7.916 1.00 0.00 H new ATOM 711 N GLU A 43 6.713 8.580 7.028 1.00 0.00 N ATOM 712 CA GLU A 43 6.971 7.177 6.786 1.00 0.00 C ATOM 713 C GLU A 43 6.190 6.318 7.795 1.00 0.00 C ATOM 714 O GLU A 43 5.625 5.293 7.430 1.00 0.00 O ATOM 715 CB GLU A 43 8.487 6.904 6.947 1.00 0.00 C ATOM 716 CG GLU A 43 8.836 5.425 7.234 1.00 0.00 C ATOM 717 CD GLU A 43 10.315 5.069 7.076 1.00 0.00 C ATOM 718 OE1 GLU A 43 11.030 5.834 6.394 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.689 4.002 7.610 1.00 0.00 O ATOM 0 H GLU A 43 7.340 8.999 7.715 1.00 0.00 H new ATOM 0 HA GLU A 43 6.652 6.921 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.000 7.217 6.038 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.872 7.521 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.526 5.185 8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.252 4.793 6.565 1.00 0.00 H new ATOM 726 N GLU A 44 6.197 6.680 9.086 1.00 0.00 N ATOM 727 CA GLU A 44 5.723 5.793 10.152 1.00 0.00 C ATOM 728 C GLU A 44 4.250 5.436 9.964 1.00 0.00 C ATOM 729 O GLU A 44 3.880 4.265 9.990 1.00 0.00 O ATOM 730 CB GLU A 44 5.975 6.414 11.532 1.00 0.00 C ATOM 731 CG GLU A 44 6.087 5.322 12.604 1.00 0.00 C ATOM 732 CD GLU A 44 6.370 5.932 13.968 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.397 6.424 14.579 1.00 0.00 O ATOM 734 OE2 GLU A 44 7.558 5.920 14.356 1.00 0.00 O ATOM 0 H GLU A 44 6.528 7.587 9.416 1.00 0.00 H new ATOM 0 HA GLU A 44 6.293 4.866 10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.891 7.004 11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.163 7.096 11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.162 4.747 12.642 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.883 4.626 12.339 1.00 0.00 H new ATOM 741 N VAL A 45 3.419 6.450 9.698 1.00 0.00 N ATOM 742 CA VAL A 45 2.040 6.262 9.285 1.00 0.00 C ATOM 743 C VAL A 45 1.960 5.223 8.161 1.00 0.00 C ATOM 744 O VAL A 45 1.061 4.386 8.157 1.00 0.00 O ATOM 745 CB VAL A 45 1.412 7.622 8.922 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.363 8.529 10.158 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.113 8.366 7.774 1.00 0.00 C ATOM 0 H VAL A 45 3.695 7.429 9.766 1.00 0.00 H new ATOM 0 HA VAL A 45 1.450 5.860 10.109 1.00 0.00 H new ATOM 0 HB VAL A 45 0.408 7.389 8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.917 9.487 9.889 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.762 8.054 10.934 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.374 8.691 10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.603 9.311 7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.150 8.561 8.046 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.083 7.754 6.872 1.00 0.00 H new ATOM 757 N LEU A 46 2.941 5.220 7.251 1.00 0.00 N ATOM 758 CA LEU A 46 3.041 4.197 6.230 1.00 0.00 C ATOM 759 C LEU A 46 3.409 2.829 6.785 1.00 0.00 C ATOM 760 O LEU A 46 2.758 1.829 6.478 1.00 0.00 O ATOM 761 CB LEU A 46 3.802 4.654 4.976 1.00 0.00 C ATOM 762 CG LEU A 46 2.911 5.455 4.009 1.00 0.00 C ATOM 763 CD1 LEU A 46 1.754 4.615 3.448 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.263 6.666 4.656 1.00 0.00 C ATOM 0 H LEU A 46 3.677 5.925 7.210 1.00 0.00 H new ATOM 0 HA LEU A 46 2.032 4.039 5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.653 5.267 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.202 3.782 4.459 1.00 0.00 H new ATOM 0 HG LEU A 46 3.599 5.763 3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.156 5.226 2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.155 3.759 2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.129 4.263 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.649 7.186 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.637 6.343 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.037 7.340 5.024 1.00 0.00 H new ATOM 776 N ARG A 47 4.415 2.787 7.644 1.00 0.00 N ATOM 777 CA ARG A 47 4.950 1.552 8.189 1.00 0.00 C ATOM 778 C ARG A 47 4.089 0.950 9.313 1.00 0.00 C ATOM 779 O ARG A 47 4.433 -0.112 9.831 1.00 0.00 O ATOM 780 CB ARG A 47 6.421 1.793 8.571 1.00 0.00 C ATOM 781 CG ARG A 47 7.362 0.758 7.936 1.00 0.00 C ATOM 782 CD ARG A 47 7.761 -0.334 8.925 1.00 0.00 C ATOM 783 NE ARG A 47 8.753 0.188 9.874 1.00 0.00 N ATOM 784 CZ ARG A 47 9.531 -0.572 10.656 1.00 0.00 C ATOM 785 NH1 ARG A 47 9.350 -1.898 10.678 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.485 0.001 11.399 1.00 0.00 N ATOM 0 H ARG A 47 4.889 3.623 7.986 1.00 0.00 H new ATOM 0 HA ARG A 47 4.915 0.774 7.427 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.718 2.793 8.255 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.524 1.758 9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 47 6.874 0.305 7.073 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.257 1.259 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.882 -0.688 9.463 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.173 -1.189 8.389 1.00 0.00 H new ATOM 0 HE ARG A 47 8.857 1.200 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.624 -2.323 10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.938 -2.483 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.617 1.012 11.368 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.080 -0.573 11.996 1.00 0.00 H new ATOM 800 N GLU A 48 2.963 1.585 9.659 1.00 0.00 N ATOM 801 CA GLU A 48 2.018 1.101 10.653 1.00 0.00 C ATOM 802 C GLU A 48 1.058 0.073 10.043 1.00 0.00 C ATOM 803 O GLU A 48 0.961 -1.049 10.536 1.00 0.00 O ATOM 804 CB GLU A 48 1.285 2.304 11.273 1.00 0.00 C ATOM 805 CG GLU A 48 1.877 2.660 12.644 1.00 0.00 C ATOM 806 CD GLU A 48 1.462 1.652 13.710 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.321 1.792 14.199 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.279 0.751 14.001 1.00 0.00 O ATOM 0 H GLU A 48 2.683 2.472 9.240 1.00 0.00 H new ATOM 0 HA GLU A 48 2.549 0.580 11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.359 3.163 10.606 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.225 2.074 11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.964 2.691 12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.547 3.657 12.936 1.00 0.00 H new ATOM 815 N GLN A 49 0.347 0.443 8.970 1.00 0.00 N ATOM 816 CA GLN A 49 -0.645 -0.438 8.349 1.00 0.00 C ATOM 817 C GLN A 49 -0.041 -1.297 7.236 1.00 0.00 C ATOM 818 O GLN A 49 -0.620 -2.301 6.829 1.00 0.00 O ATOM 819 CB GLN A 49 -1.845 0.363 7.820 1.00 0.00 C ATOM 820 CG GLN A 49 -3.119 0.145 8.658 1.00 0.00 C ATOM 821 CD GLN A 49 -3.548 -1.321 8.811 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.086 -2.212 8.102 1.00 0.00 O ATOM 823 NE2 GLN A 49 -4.427 -1.600 9.766 1.00 0.00 N ATOM 0 H GLN A 49 0.443 1.350 8.514 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.995 -1.114 9.129 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.595 1.424 7.815 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.041 0.077 6.787 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.961 0.568 9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.937 0.702 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.803 -0.851 10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.726 -2.563 9.918 1.00 0.00 H new ATOM 832 N ALA A 50 1.107 -0.883 6.703 1.00 0.00 N ATOM 833 CA ALA A 50 1.839 -1.669 5.726 1.00 0.00 C ATOM 834 C ALA A 50 1.887 -3.166 6.047 1.00 0.00 C ATOM 835 O ALA A 50 2.076 -3.566 7.196 1.00 0.00 O ATOM 836 CB ALA A 50 3.247 -1.117 5.592 1.00 0.00 C ATOM 0 H ALA A 50 1.550 0.005 6.939 1.00 0.00 H new ATOM 0 HA ALA A 50 1.299 -1.583 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.800 -1.705 4.859 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.201 -0.078 5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.752 -1.171 6.556 1.00 0.00 H new ATOM 842 N GLY A 51 1.729 -3.979 4.999 1.00 0.00 N ATOM 843 CA GLY A 51 1.558 -5.416 5.090 1.00 0.00 C ATOM 844 C GLY A 51 0.372 -5.752 5.992 1.00 0.00 C ATOM 845 O GLY A 51 0.549 -6.348 7.053 1.00 0.00 O ATOM 0 H GLY A 51 1.717 -3.637 4.038 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.398 -5.834 4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.465 -5.873 5.485 1.00 0.00 H new ATOM 849 N GLY A 52 -0.835 -5.382 5.557 1.00 0.00 N ATOM 850 CA GLY A 52 -2.072 -5.634 6.285 1.00 0.00 C ATOM 851 C GLY A 52 -3.241 -5.067 5.488 1.00 0.00 C ATOM 852 O GLY A 52 -3.544 -5.606 4.427 1.00 0.00 O ATOM 0 H GLY A 52 -0.978 -4.891 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.206 -6.705 6.440 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.029 -5.172 7.271 1.00 0.00 H new ATOM 856 N ASP A 53 -3.827 -3.948 5.933 1.00 0.00 N ATOM 857 CA ASP A 53 -4.796 -3.189 5.150 1.00 0.00 C ATOM 858 C ASP A 53 -4.665 -1.704 5.438 1.00 0.00 C ATOM 859 O ASP A 53 -5.122 -1.224 6.472 1.00 0.00 O ATOM 860 CB ASP A 53 -6.254 -3.594 5.394 1.00 0.00 C ATOM 861 CG ASP A 53 -7.126 -2.597 4.627 1.00 0.00 C ATOM 862 OD1 ASP A 53 -6.774 -2.364 3.449 1.00 0.00 O ATOM 863 OD2 ASP A 53 -8.016 -1.951 5.220 1.00 0.00 O ATOM 0 H ASP A 53 -3.638 -3.546 6.851 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.560 -3.416 4.110 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.435 -4.612 5.048 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.488 -3.573 6.458 1.00 0.00 H new ATOM 868 N ALA A 54 -4.108 -0.943 4.498 1.00 0.00 N ATOM 869 CA ALA A 54 -4.103 0.489 4.662 1.00 0.00 C ATOM 870 C ALA A 54 -5.382 1.104 4.094 1.00 0.00 C ATOM 871 O ALA A 54 -5.544 2.309 4.254 1.00 0.00 O ATOM 872 CB ALA A 54 -2.833 1.070 4.048 1.00 0.00 C ATOM 0 H ALA A 54 -3.670 -1.290 3.645 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.094 0.740 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.831 2.153 4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.961 0.646 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.798 0.827 2.986 1.00 0.00 H new ATOM 878 N THR A 55 -6.278 0.339 3.448 1.00 0.00 N ATOM 879 CA THR A 55 -7.531 0.878 2.930 1.00 0.00 C ATOM 880 C THR A 55 -8.252 1.677 4.013 1.00 0.00 C ATOM 881 O THR A 55 -8.483 2.871 3.818 1.00 0.00 O ATOM 882 CB THR A 55 -8.453 -0.212 2.349 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.762 -1.054 1.452 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.618 0.431 1.592 1.00 0.00 C ATOM 0 H THR A 55 -6.150 -0.658 3.275 1.00 0.00 H new ATOM 0 HA THR A 55 -7.277 1.543 2.104 1.00 0.00 H new ATOM 0 HB THR A 55 -8.818 -0.803 3.189 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.247 -1.717 1.957 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.263 -0.349 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.193 1.059 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.230 1.042 0.777 1.00 0.00 H new ATOM 892 N GLU A 56 -8.568 1.040 5.149 1.00 0.00 N ATOM 893 CA GLU A 56 -9.228 1.717 6.263 1.00 0.00 C ATOM 894 C GLU A 56 -8.571 3.072 6.564 1.00 0.00 C ATOM 895 O GLU A 56 -9.244 4.095 6.523 1.00 0.00 O ATOM 896 CB GLU A 56 -9.299 0.782 7.486 1.00 0.00 C ATOM 897 CG GLU A 56 -10.678 0.101 7.558 1.00 0.00 C ATOM 898 CD GLU A 56 -10.665 -1.231 8.301 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.923 -1.323 9.302 1.00 0.00 O ATOM 900 OE2 GLU A 56 -11.438 -2.117 7.875 1.00 0.00 O ATOM 0 H GLU A 56 -8.374 0.053 5.316 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.256 1.948 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.516 0.027 7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.119 1.351 8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.381 0.774 8.049 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.047 -0.061 6.545 1.00 0.00 H new ATOM 907 N ASN A 57 -7.260 3.103 6.808 1.00 0.00 N ATOM 908 CA ASN A 57 -6.536 4.329 7.161 1.00 0.00 C ATOM 909 C ASN A 57 -6.582 5.373 6.039 1.00 0.00 C ATOM 910 O ASN A 57 -6.863 6.551 6.255 1.00 0.00 O ATOM 911 CB ASN A 57 -5.068 3.991 7.472 1.00 0.00 C ATOM 912 CG ASN A 57 -4.710 4.240 8.930 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.462 3.303 9.680 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.654 5.504 9.342 1.00 0.00 N ATOM 0 H ASN A 57 -6.666 2.275 6.767 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.026 4.755 8.037 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.880 2.945 7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.418 4.589 6.834 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.399 5.715 10.307 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.866 6.262 8.693 1.00 0.00 H new ATOM 921 N PHE A 58 -6.232 4.934 4.833 1.00 0.00 N ATOM 922 CA PHE A 58 -6.186 5.739 3.626 1.00 0.00 C ATOM 923 C PHE A 58 -7.525 6.453 3.417 1.00 0.00 C ATOM 924 O PHE A 58 -7.537 7.660 3.154 1.00 0.00 O ATOM 925 CB PHE A 58 -5.817 4.816 2.459 1.00 0.00 C ATOM 926 CG PHE A 58 -5.797 5.462 1.091 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.732 6.302 0.716 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.818 5.171 0.167 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.714 6.889 -0.560 1.00 0.00 C ATOM 930 CE2 PHE A 58 -6.787 5.738 -1.117 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.738 6.603 -1.479 1.00 0.00 C ATOM 0 H PHE A 58 -5.962 3.964 4.668 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.432 6.522 3.701 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.833 4.391 2.654 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.524 3.987 2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.928 6.496 1.410 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.626 4.511 0.446 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.913 7.560 -0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.568 5.510 -1.827 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.720 7.047 -2.463 1.00 0.00 H new ATOM 941 N GLU A 59 -8.627 5.709 3.574 1.00 0.00 N ATOM 942 CA GLU A 59 -9.995 6.196 3.435 1.00 0.00 C ATOM 943 C GLU A 59 -10.440 6.999 4.664 1.00 0.00 C ATOM 944 O GLU A 59 -11.221 7.935 4.523 1.00 0.00 O ATOM 945 CB GLU A 59 -10.953 5.024 3.169 1.00 0.00 C ATOM 946 CG GLU A 59 -10.986 4.615 1.683 1.00 0.00 C ATOM 947 CD GLU A 59 -11.744 5.601 0.784 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.409 6.497 1.342 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.670 5.437 -0.456 1.00 0.00 O ATOM 0 H GLU A 59 -8.583 4.718 3.809 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.024 6.873 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.651 4.168 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.958 5.300 3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.963 4.520 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.448 3.631 1.597 1.00 0.00 H new ATOM 956 N ASP A 60 -9.945 6.659 5.861 1.00 0.00 N ATOM 957 CA ASP A 60 -10.248 7.376 7.099 1.00 0.00 C ATOM 958 C ASP A 60 -10.013 8.872 6.896 1.00 0.00 C ATOM 959 O ASP A 60 -10.869 9.704 7.184 1.00 0.00 O ATOM 960 CB ASP A 60 -9.374 6.846 8.246 1.00 0.00 C ATOM 961 CG ASP A 60 -9.861 7.318 9.609 1.00 0.00 C ATOM 962 OD1 ASP A 60 -11.052 7.082 9.902 1.00 0.00 O ATOM 963 OD2 ASP A 60 -9.022 7.880 10.345 1.00 0.00 O ATOM 0 H ASP A 60 -9.315 5.868 5.995 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.294 7.214 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.369 5.756 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.345 7.173 8.097 1.00 0.00 H new ATOM 968 N VAL A 61 -8.842 9.196 6.340 1.00 0.00 N ATOM 969 CA VAL A 61 -8.521 10.548 5.903 1.00 0.00 C ATOM 970 C VAL A 61 -9.152 10.832 4.535 1.00 0.00 C ATOM 971 O VAL A 61 -9.566 11.959 4.271 1.00 0.00 O ATOM 972 CB VAL A 61 -6.997 10.755 5.912 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.618 12.161 5.425 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.439 10.569 7.330 1.00 0.00 C ATOM 0 H VAL A 61 -8.092 8.523 6.182 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.947 11.270 6.599 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.569 10.014 5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.534 12.273 5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.979 12.303 4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.071 12.907 6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.359 10.719 7.319 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.899 11.295 8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.662 9.561 7.679 1.00 0.00 H new ATOM 984 N GLY A 62 -9.185 9.845 3.634 1.00 0.00 N ATOM 985 CA GLY A 62 -9.801 9.971 2.318 1.00 0.00 C ATOM 986 C GLY A 62 -8.736 10.237 1.260 1.00 0.00 C ATOM 987 O GLY A 62 -8.771 9.645 0.184 1.00 0.00 O ATOM 0 H GLY A 62 -8.778 8.925 3.805 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.345 9.059 2.075 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.528 10.783 2.325 1.00 0.00 H new ATOM 991 N HIS A 63 -7.796 11.130 1.594 1.00 0.00 N ATOM 992 CA HIS A 63 -6.774 11.674 0.707 1.00 0.00 C ATOM 993 C HIS A 63 -7.387 12.533 -0.406 1.00 0.00 C ATOM 994 O HIS A 63 -8.575 12.437 -0.712 1.00 0.00 O ATOM 995 CB HIS A 63 -5.863 10.581 0.127 1.00 0.00 C ATOM 996 CG HIS A 63 -4.837 10.040 1.086 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.058 9.200 2.155 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.491 10.265 0.998 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.852 8.946 2.703 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.859 9.558 2.022 1.00 0.00 N ATOM 0 H HIS A 63 -7.729 11.508 2.539 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.147 12.322 1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.485 9.756 -0.221 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.348 10.982 -0.746 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -5.959 8.840 2.471 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.001 10.884 0.262 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.699 8.330 3.577 1.00 0.00 H new ATOM 1008 N SER A 64 -6.564 13.388 -1.020 1.00 0.00 N ATOM 1009 CA SER A 64 -6.970 14.147 -2.193 1.00 0.00 C ATOM 1010 C SER A 64 -6.873 13.273 -3.446 1.00 0.00 C ATOM 1011 O SER A 64 -6.212 12.232 -3.463 1.00 0.00 O ATOM 1012 CB SER A 64 -6.104 15.402 -2.338 1.00 0.00 C ATOM 1013 OG SER A 64 -6.306 16.268 -1.239 1.00 0.00 O ATOM 0 H SER A 64 -5.607 13.568 -0.717 1.00 0.00 H new ATOM 0 HA SER A 64 -8.007 14.459 -2.071 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.053 15.121 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.351 15.917 -3.266 1.00 0.00 H new ATOM 0 HG SER A 64 -5.745 17.065 -1.343 1.00 0.00 H new ATOM 1019 N THR A 65 -7.523 13.724 -4.518 1.00 0.00 N ATOM 1020 CA THR A 65 -7.576 12.994 -5.779 1.00 0.00 C ATOM 1021 C THR A 65 -6.170 12.846 -6.384 1.00 0.00 C ATOM 1022 O THR A 65 -5.857 11.817 -6.979 1.00 0.00 O ATOM 1023 CB THR A 65 -8.650 13.604 -6.708 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.551 12.598 -7.128 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.107 14.335 -7.938 1.00 0.00 C ATOM 0 H THR A 65 -8.029 14.610 -4.534 1.00 0.00 H new ATOM 0 HA THR A 65 -7.904 11.968 -5.613 1.00 0.00 H new ATOM 0 HB THR A 65 -9.148 14.363 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.230 12.991 -7.715 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.938 14.726 -8.525 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.468 15.159 -7.619 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.527 13.641 -8.547 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.293 13.832 -6.166 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.887 13.750 -6.538 1.00 0.00 C ATOM 1035 C ASP A 66 -3.271 12.445 -6.036 1.00 0.00 C ATOM 1036 O ASP A 66 -2.679 11.681 -6.796 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.133 14.959 -5.965 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.351 16.204 -6.810 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.532 16.602 -6.915 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.338 16.733 -7.313 1.00 0.00 O ATOM 0 H ASP A 66 -5.547 14.715 -5.722 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.806 13.762 -7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.467 15.147 -4.945 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.068 14.734 -5.915 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.427 12.156 -4.742 1.00 0.00 N ATOM 1046 CA ALA A 67 -2.874 10.941 -4.163 1.00 0.00 C ATOM 1047 C ALA A 67 -3.464 9.693 -4.825 1.00 0.00 C ATOM 1048 O ALA A 67 -2.769 8.689 -4.965 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.119 10.914 -2.657 1.00 0.00 C ATOM 0 H ALA A 67 -3.931 12.748 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.799 10.939 -4.345 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.700 10.000 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.641 11.778 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.191 10.945 -2.462 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.738 9.740 -5.234 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.376 8.628 -5.930 1.00 0.00 C ATOM 1057 C ARG A 68 -4.637 8.337 -7.234 1.00 0.00 C ATOM 1058 O ARG A 68 -4.220 7.204 -7.459 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.862 8.902 -6.206 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.690 9.073 -4.926 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.222 7.732 -4.395 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.691 7.753 -4.294 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.495 6.680 -4.202 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.981 5.446 -4.248 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.814 6.852 -4.080 1.00 0.00 N ATOM 0 H ARG A 68 -5.347 10.546 -5.091 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.322 7.754 -5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.953 9.803 -6.813 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.274 8.080 -6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.077 9.548 -4.160 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.528 9.742 -5.124 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.910 6.924 -5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.789 7.526 -3.416 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.141 8.668 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -8.975 5.316 -4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.595 4.635 -4.178 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.206 7.794 -4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.430 6.042 -4.010 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.461 9.329 -8.107 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.748 9.066 -9.353 1.00 0.00 C ATOM 1081 C GLU A 69 -2.289 8.685 -9.075 1.00 0.00 C ATOM 1082 O GLU A 69 -1.754 7.767 -9.698 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.915 10.214 -10.353 1.00 0.00 C ATOM 1084 CG GLU A 69 -3.397 11.563 -9.854 1.00 0.00 C ATOM 1085 CD GLU A 69 -3.657 12.634 -10.900 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.829 13.061 -10.980 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -2.697 12.957 -11.631 1.00 0.00 O ATOM 0 H GLU A 69 -4.789 10.287 -7.982 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.198 8.200 -9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.394 9.956 -11.275 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.972 10.313 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.890 11.828 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.329 11.498 -9.645 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.652 9.332 -8.094 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.286 9.008 -7.724 1.00 0.00 C ATOM 1096 C LEU A 70 -0.190 7.556 -7.234 1.00 0.00 C ATOM 1097 O LEU A 70 0.788 6.874 -7.530 1.00 0.00 O ATOM 1098 CB LEU A 70 0.224 10.025 -6.693 1.00 0.00 C ATOM 1099 CG LEU A 70 1.665 10.509 -6.941 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.682 9.368 -6.892 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.767 11.295 -8.258 1.00 0.00 C ATOM 0 H LEU A 70 -2.069 10.084 -7.545 1.00 0.00 H new ATOM 0 HA LEU A 70 0.362 9.079 -8.597 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.442 10.888 -6.691 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.169 9.578 -5.701 1.00 0.00 H new ATOM 0 HG LEU A 70 1.916 11.185 -6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.681 9.763 -7.073 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.651 8.895 -5.910 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.439 8.631 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.795 11.624 -8.407 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.467 10.655 -9.088 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.111 12.164 -8.215 1.00 0.00 H new ATOM 1113 N SER A 71 -1.213 7.047 -6.530 1.00 0.00 N ATOM 1114 CA SER A 71 -1.246 5.645 -6.124 1.00 0.00 C ATOM 1115 C SER A 71 -1.006 4.748 -7.334 1.00 0.00 C ATOM 1116 O SER A 71 -0.208 3.824 -7.269 1.00 0.00 O ATOM 1117 CB SER A 71 -2.535 5.271 -5.371 1.00 0.00 C ATOM 1118 OG SER A 71 -3.606 4.892 -6.208 1.00 0.00 O ATOM 0 H SER A 71 -2.024 7.589 -6.233 1.00 0.00 H new ATOM 0 HA SER A 71 -0.439 5.486 -5.409 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.317 4.452 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.847 6.121 -4.763 1.00 0.00 H new ATOM 0 HG SER A 71 -3.935 5.677 -6.694 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.643 5.045 -8.468 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.466 4.264 -9.682 1.00 0.00 C ATOM 1126 C LYS A 72 0.011 4.188 -10.085 1.00 0.00 C ATOM 1127 O LYS A 72 0.507 3.115 -10.403 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.388 4.804 -10.787 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.462 3.774 -11.184 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.026 2.935 -12.396 1.00 0.00 C ATOM 1131 CE LYS A 72 -3.794 3.400 -13.645 1.00 0.00 C ATOM 1132 NZ LYS A 72 -3.107 3.047 -14.905 1.00 0.00 N ATOM 0 H LYS A 72 -2.290 5.828 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.764 3.231 -9.501 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.870 5.719 -10.444 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.793 5.066 -11.662 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.664 3.115 -10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.394 4.291 -11.415 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.953 3.039 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.220 1.879 -12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.788 2.954 -13.641 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.930 4.481 -13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.669 3.384 -15.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.168 3.494 -14.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.000 2.014 -14.965 1.00 0.00 H new ATOM 1146 N THR A 73 0.740 5.299 -10.009 1.00 0.00 N ATOM 1147 CA THR A 73 2.188 5.318 -10.207 1.00 0.00 C ATOM 1148 C THR A 73 2.957 4.412 -9.221 1.00 0.00 C ATOM 1149 O THR A 73 4.067 3.989 -9.535 1.00 0.00 O ATOM 1150 CB THR A 73 2.651 6.785 -10.216 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.365 7.341 -11.483 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.132 6.984 -9.909 1.00 0.00 C ATOM 0 H THR A 73 0.341 6.216 -9.807 1.00 0.00 H new ATOM 0 HA THR A 73 2.429 4.873 -11.172 1.00 0.00 H new ATOM 0 HB THR A 73 2.107 7.285 -9.414 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.654 8.277 -11.502 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.370 8.047 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.355 6.588 -8.918 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.731 6.459 -10.652 1.00 0.00 H new ATOM 1160 N TYR A 74 2.388 4.082 -8.056 1.00 0.00 N ATOM 1161 CA TYR A 74 2.989 3.184 -7.069 1.00 0.00 C ATOM 1162 C TYR A 74 2.359 1.792 -7.094 1.00 0.00 C ATOM 1163 O TYR A 74 2.732 0.934 -6.290 1.00 0.00 O ATOM 1164 CB TYR A 74 2.828 3.778 -5.664 1.00 0.00 C ATOM 1165 CG TYR A 74 3.725 4.960 -5.379 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.122 4.810 -5.454 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.176 6.199 -5.006 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.955 5.932 -5.321 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.023 7.295 -4.766 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.398 7.186 -5.031 1.00 0.00 C ATOM 1171 OH TYR A 74 6.181 8.296 -5.109 1.00 0.00 O ATOM 0 H TYR A 74 1.477 4.441 -7.769 1.00 0.00 H new ATOM 0 HA TYR A 74 4.044 3.082 -7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.791 4.084 -5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.029 2.999 -4.928 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.553 3.833 -5.614 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.106 6.309 -4.904 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.023 5.830 -5.442 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.618 8.218 -4.379 1.00 0.00 H new ATOM 0 HH TYR A 74 6.291 8.682 -4.215 1.00 0.00 H new ATOM 1181 N ILE A 75 1.386 1.565 -7.980 1.00 0.00 N ATOM 1182 CA ILE A 75 0.704 0.290 -8.045 1.00 0.00 C ATOM 1183 C ILE A 75 1.709 -0.747 -8.517 1.00 0.00 C ATOM 1184 O ILE A 75 2.330 -0.587 -9.567 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.559 0.391 -8.914 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.612 -0.623 -8.437 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.302 0.188 -10.418 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -3.001 -0.269 -8.966 1.00 0.00 C ATOM 0 H ILE A 75 1.060 2.254 -8.658 1.00 0.00 H new ATOM 0 HA ILE A 75 0.338 -0.021 -7.066 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.921 1.412 -8.793 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.336 -1.623 -8.773 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.630 -0.647 -7.347 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.242 0.274 -10.963 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.394 0.947 -10.774 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.124 -0.801 -10.584 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.724 -1.004 -8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.285 0.721 -8.608 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.987 -0.271 -10.056 1.00 0.00 H new ATOM 1200 N ILE A 76 1.906 -1.792 -7.721 1.00 0.00 N ATOM 1201 CA ILE A 76 2.795 -2.870 -8.109 1.00 0.00 C ATOM 1202 C ILE A 76 1.984 -4.019 -8.675 1.00 0.00 C ATOM 1203 O ILE A 76 2.470 -4.687 -9.580 1.00 0.00 O ATOM 1204 CB ILE A 76 3.694 -3.307 -6.948 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.909 -3.396 -5.633 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.863 -2.317 -6.837 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.621 -4.294 -4.633 1.00 0.00 C ATOM 0 H ILE A 76 1.463 -1.911 -6.810 1.00 0.00 H new ATOM 0 HA ILE A 76 3.466 -2.511 -8.889 1.00 0.00 H new ATOM 0 HB ILE A 76 4.081 -4.307 -7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.787 -2.399 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.909 -3.784 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.514 -2.613 -6.014 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.431 -2.318 -7.768 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.475 -1.316 -6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.044 -4.340 -3.710 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.719 -5.296 -5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.611 -3.890 -4.422 1.00 0.00 H new ATOM 1219 N GLY A 77 0.775 -4.250 -8.154 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.034 -5.393 -8.519 1.00 0.00 C ATOM 1221 C GLY A 77 -1.357 -5.342 -7.770 1.00 0.00 C ATOM 1222 O GLY A 77 -1.770 -4.263 -7.346 1.00 0.00 O ATOM 0 H GLY A 77 0.337 -3.640 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.213 -5.396 -9.594 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.495 -6.316 -8.281 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.013 -6.492 -7.603 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.321 -6.593 -6.972 1.00 0.00 C ATOM 1228 C GLU A 78 -3.379 -7.839 -6.091 1.00 0.00 C ATOM 1229 O GLU A 78 -2.477 -8.673 -6.111 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.447 -6.576 -8.024 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.323 -5.399 -9.014 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.631 -4.994 -9.697 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.704 -5.461 -9.260 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.556 -4.127 -10.595 1.00 0.00 O ATOM 0 H GLU A 78 -1.640 -7.391 -7.909 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.475 -5.723 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.434 -7.514 -8.579 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.410 -6.519 -7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.925 -4.535 -8.482 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.596 -5.663 -9.781 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.426 -7.944 -5.278 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.607 -9.063 -4.366 1.00 0.00 C ATOM 1243 C LEU A 79 -4.966 -10.321 -5.170 1.00 0.00 C ATOM 1244 O LEU A 79 -5.685 -10.228 -6.164 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.691 -8.673 -3.352 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.465 -9.231 -1.938 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.070 -8.312 -0.859 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -6.067 -10.633 -1.839 1.00 0.00 C ATOM 0 H LEU A 79 -5.174 -7.252 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.693 -9.292 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.746 -7.586 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.657 -9.022 -3.718 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.391 -9.280 -1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.890 -8.741 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.605 -7.328 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.143 -8.217 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.906 -11.028 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.137 -10.585 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.588 -11.287 -2.568 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.436 -11.484 -4.776 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.576 -12.743 -5.500 1.00 0.00 C ATOM 1262 C HIS A 80 -6.033 -13.027 -5.897 1.00 0.00 C ATOM 1263 O HIS A 80 -6.935 -12.811 -5.085 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.001 -13.876 -4.638 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.525 -15.072 -5.415 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.052 -16.343 -5.369 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.474 -15.087 -6.294 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.350 -17.097 -6.232 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.388 -16.373 -6.832 1.00 0.00 N ATOM 0 H HIS A 80 -3.885 -11.573 -3.923 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.018 -12.673 -6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.169 -13.484 -4.053 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.764 -14.199 -3.930 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.828 -14.254 -6.529 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.534 -18.145 -6.419 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.728 -16.698 -7.538 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.290 -13.535 -7.117 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.639 -13.733 -7.599 1.00 0.00 C ATOM 1279 C PRO A 81 -8.362 -14.806 -6.790 1.00 0.00 C ATOM 1280 O PRO A 81 -9.588 -14.769 -6.731 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.544 -14.056 -9.091 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.121 -14.571 -9.278 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.333 -13.946 -8.128 1.00 0.00 C ATOM 0 HA PRO A 81 -8.242 -12.834 -7.469 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.279 -14.806 -9.383 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.730 -13.172 -9.701 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.085 -15.660 -9.238 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.715 -14.273 -10.245 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.623 -14.663 -7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.755 -13.091 -8.479 1.00 0.00 H new