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= 0.678 K(o=0.078,f=-5.7!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.599 K(o=0.078,f=-3.3!) USER MOD Set 2.1: A 15 HIS : no HE2:sc= 0.682 K(o=1.4,f=-4.6!) USER MOD Set 2.2: A 20 SER OG : rot 180:sc= 0.669 USER MOD Single : A 5 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00211) USER MOD Single : A 6 TYR OH : rot 77:sc= 0.61 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.119 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -139:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= 0.00738 X(o=0.0074,f=-0.098) USER MOD Single : A 27 HIS : no HD1:sc= -0.0292 X(o=-0.029,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 52:sc= 0.871 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0694 X(o=-0.069,f=-0.069) USER MOD Single : A 55 THR OG1 : rot 123:sc= 0.251 USER MOD Single : A 57 ASN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0968 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0309 USER MOD Single : A 72 LYS NZ :NH3+ 131:sc= 1.13 (180deg=0.768) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -133:sc= 1.36 USER MOD Single : A 80 HIS : no HD1:sc= -0.806 X(o=-0.81,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.625 -8.615 -11.169 1.00 0.00 N ATOM 66 CA LYS A 5 1.260 -8.700 -9.866 1.00 0.00 C ATOM 67 C LYS A 5 0.193 -9.064 -8.832 1.00 0.00 C ATOM 68 O LYS A 5 -0.021 -8.388 -7.829 1.00 0.00 O ATOM 69 CB LYS A 5 2.096 -7.438 -9.611 1.00 0.00 C ATOM 70 CG LYS A 5 3.541 -7.487 -10.146 1.00 0.00 C ATOM 71 CD LYS A 5 3.684 -6.800 -11.516 1.00 0.00 C ATOM 72 CE LYS A 5 4.850 -7.358 -12.347 1.00 0.00 C ATOM 73 NZ LYS A 5 6.157 -7.215 -11.676 1.00 0.00 N ATOM 0 HA LYS A 5 1.996 -9.501 -9.797 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.587 -6.587 -10.064 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.129 -7.255 -8.537 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.207 -7.005 -9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.860 -8.526 -10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.756 -6.920 -12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.830 -5.730 -11.367 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.668 -8.412 -12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.883 -6.844 -13.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.906 -7.593 -12.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.341 -6.209 -11.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.146 -7.742 -10.779 1.00 0.00 H new ATOM 87 N TYR A 6 -0.485 -10.179 -9.105 1.00 0.00 N ATOM 88 CA TYR A 6 -1.373 -10.798 -8.144 1.00 0.00 C ATOM 89 C TYR A 6 -0.541 -11.351 -6.992 1.00 0.00 C ATOM 90 O TYR A 6 0.212 -12.299 -7.206 1.00 0.00 O ATOM 91 CB TYR A 6 -2.204 -11.904 -8.809 1.00 0.00 C ATOM 92 CG TYR A 6 -3.407 -11.413 -9.585 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.344 -10.581 -8.943 1.00 0.00 C ATOM 94 CD2 TYR A 6 -3.682 -11.897 -10.878 1.00 0.00 C ATOM 95 CE1 TYR A 6 -5.505 -10.182 -9.617 1.00 0.00 C ATOM 96 CE2 TYR A 6 -4.804 -11.423 -11.581 1.00 0.00 C ATOM 97 CZ TYR A 6 -5.670 -10.497 -10.972 1.00 0.00 C ATOM 98 OH TYR A 6 -6.626 -9.855 -11.698 1.00 0.00 O ATOM 0 H TYR A 6 -0.429 -10.670 -9.997 1.00 0.00 H new ATOM 0 HA TYR A 6 -2.072 -10.056 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.559 -12.468 -9.483 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.544 -12.597 -8.039 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.167 -10.250 -7.930 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -3.032 -12.632 -11.330 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.272 -9.632 -9.093 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.000 -11.769 -12.585 1.00 0.00 H new ATOM 0 HH TYR A 6 -6.316 -8.952 -11.921 1.00 0.00 H new ATOM 108 N TYR A 7 -0.678 -10.764 -5.799 1.00 0.00 N ATOM 109 CA TYR A 7 -0.009 -11.233 -4.589 1.00 0.00 C ATOM 110 C TYR A 7 -1.047 -11.691 -3.565 1.00 0.00 C ATOM 111 O TYR A 7 -2.122 -11.096 -3.459 1.00 0.00 O ATOM 112 CB TYR A 7 0.886 -10.121 -4.030 1.00 0.00 C ATOM 113 CG TYR A 7 2.002 -9.699 -4.965 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.001 -10.623 -5.326 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.068 -8.380 -5.449 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.038 -10.243 -6.195 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.147 -7.988 -6.258 1.00 0.00 C ATOM 118 CZ TYR A 7 4.110 -8.922 -6.659 1.00 0.00 C ATOM 119 OH TYR A 7 5.083 -8.539 -7.528 1.00 0.00 O ATOM 0 H TYR A 7 -1.263 -9.942 -5.648 1.00 0.00 H new ATOM 0 HA TYR A 7 0.625 -12.088 -4.825 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.269 -9.252 -3.802 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.322 -10.458 -3.089 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.970 -11.629 -4.933 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.292 -7.671 -5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.778 -10.967 -6.505 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.235 -6.959 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 7 5.339 -9.301 -8.089 1.00 0.00 H new ATOM 129 N THR A 8 -0.759 -12.778 -2.843 1.00 0.00 N ATOM 130 CA THR A 8 -1.661 -13.332 -1.842 1.00 0.00 C ATOM 131 C THR A 8 -1.532 -12.552 -0.532 1.00 0.00 C ATOM 132 O THR A 8 -0.565 -11.814 -0.337 1.00 0.00 O ATOM 133 CB THR A 8 -1.337 -14.819 -1.627 1.00 0.00 C ATOM 134 OG1 THR A 8 0.004 -14.948 -1.206 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.545 -15.636 -2.906 1.00 0.00 C ATOM 0 H THR A 8 0.113 -13.298 -2.941 1.00 0.00 H new ATOM 0 HA THR A 8 -2.690 -13.245 -2.190 1.00 0.00 H new ATOM 0 HB THR A 8 -2.016 -15.204 -0.866 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.213 -15.895 -1.066 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.306 -16.682 -2.713 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.584 -15.555 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.893 -15.254 -3.692 1.00 0.00 H new ATOM 143 N LEU A 9 -2.499 -12.736 0.376 1.00 0.00 N ATOM 144 CA LEU A 9 -2.529 -12.067 1.665 1.00 0.00 C ATOM 145 C LEU A 9 -1.192 -12.255 2.367 1.00 0.00 C ATOM 146 O LEU A 9 -0.501 -11.277 2.625 1.00 0.00 O ATOM 147 CB LEU A 9 -3.660 -12.624 2.541 1.00 0.00 C ATOM 148 CG LEU A 9 -5.086 -12.197 2.170 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.301 -10.683 2.200 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.525 -12.723 0.809 1.00 0.00 C ATOM 0 H LEU A 9 -3.289 -13.364 0.226 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.711 -11.005 1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.611 -13.712 2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.472 -12.325 3.572 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.703 -12.648 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.332 -10.456 1.927 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.100 -10.307 3.203 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.625 -10.205 1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.541 -12.389 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.853 -12.344 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.495 -13.813 0.813 1.00 0.00 H new ATOM 162 N GLU A 10 -0.820 -13.509 2.641 1.00 0.00 N ATOM 163 CA GLU A 10 0.453 -13.850 3.256 1.00 0.00 C ATOM 164 C GLU A 10 1.604 -13.096 2.593 1.00 0.00 C ATOM 165 O GLU A 10 2.410 -12.470 3.276 1.00 0.00 O ATOM 166 CB GLU A 10 0.702 -15.360 3.149 1.00 0.00 C ATOM 167 CG GLU A 10 0.614 -16.060 4.506 1.00 0.00 C ATOM 168 CD GLU A 10 1.111 -17.490 4.362 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.313 -17.628 4.027 1.00 0.00 O ATOM 170 OE2 GLU A 10 0.276 -18.402 4.541 1.00 0.00 O ATOM 0 H GLU A 10 -1.405 -14.320 2.437 1.00 0.00 H new ATOM 0 HA GLU A 10 0.407 -13.560 4.306 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.027 -15.799 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.687 -15.534 2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.213 -15.526 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.415 -16.054 4.866 1.00 0.00 H new ATOM 177 N GLU A 11 1.700 -13.194 1.265 1.00 0.00 N ATOM 178 CA GLU A 11 2.790 -12.605 0.506 1.00 0.00 C ATOM 179 C GLU A 11 2.882 -11.109 0.802 1.00 0.00 C ATOM 180 O GLU A 11 3.907 -10.622 1.274 1.00 0.00 O ATOM 181 CB GLU A 11 2.586 -12.936 -0.975 1.00 0.00 C ATOM 182 CG GLU A 11 3.848 -12.740 -1.822 1.00 0.00 C ATOM 183 CD GLU A 11 3.906 -13.815 -2.899 1.00 0.00 C ATOM 184 OE1 GLU A 11 2.995 -13.804 -3.754 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.818 -14.664 -2.800 1.00 0.00 O ATOM 0 H GLU A 11 1.018 -13.688 0.690 1.00 0.00 H new ATOM 0 HA GLU A 11 3.753 -13.023 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.253 -13.970 -1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.789 -12.308 -1.373 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.842 -11.751 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.735 -12.794 -1.191 1.00 0.00 H new ATOM 192 N ILE A 12 1.777 -10.391 0.614 1.00 0.00 N ATOM 193 CA ILE A 12 1.681 -8.981 0.961 1.00 0.00 C ATOM 194 C ILE A 12 2.107 -8.779 2.425 1.00 0.00 C ATOM 195 O ILE A 12 2.904 -7.895 2.729 1.00 0.00 O ATOM 196 CB ILE A 12 0.244 -8.511 0.678 1.00 0.00 C ATOM 197 CG1 ILE A 12 -0.085 -8.660 -0.822 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.005 -7.057 1.098 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.590 -8.754 -1.070 1.00 0.00 C ATOM 0 H ILE A 12 0.921 -10.776 0.215 1.00 0.00 H new ATOM 0 HA ILE A 12 2.356 -8.374 0.357 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.412 -9.145 1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.320 -7.808 -1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.404 -9.552 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.025 -6.779 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.186 -6.953 2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.684 -6.404 0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.777 -8.858 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.992 -9.621 -0.545 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.076 -7.850 -0.703 1.00 0.00 H new ATOM 211 N GLN A 13 1.609 -9.623 3.332 1.00 0.00 N ATOM 212 CA GLN A 13 1.854 -9.524 4.762 1.00 0.00 C ATOM 213 C GLN A 13 3.307 -9.823 5.146 1.00 0.00 C ATOM 214 O GLN A 13 3.715 -9.499 6.260 1.00 0.00 O ATOM 215 CB GLN A 13 0.865 -10.406 5.548 1.00 0.00 C ATOM 216 CG GLN A 13 0.078 -9.617 6.607 1.00 0.00 C ATOM 217 CD GLN A 13 -0.183 -10.457 7.849 1.00 0.00 C ATOM 218 OE1 GLN A 13 -1.238 -11.060 8.005 1.00 0.00 O ATOM 219 NE2 GLN A 13 0.799 -10.506 8.746 1.00 0.00 N ATOM 0 H GLN A 13 1.011 -10.410 3.081 1.00 0.00 H new ATOM 0 HA GLN A 13 1.682 -8.484 5.039 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.166 -10.869 4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.412 -11.213 6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.634 -8.721 6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.871 -9.286 6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.664 -9.991 8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.686 -11.058 9.596 1.00 0.00 H new ATOM 228 N LYS A 14 4.093 -10.429 4.250 1.00 0.00 N ATOM 229 CA LYS A 14 5.514 -10.645 4.479 1.00 0.00 C ATOM 230 C LYS A 14 6.281 -9.332 4.257 1.00 0.00 C ATOM 231 O LYS A 14 7.302 -9.092 4.902 1.00 0.00 O ATOM 232 CB LYS A 14 6.022 -11.789 3.593 1.00 0.00 C ATOM 233 CG LYS A 14 5.627 -13.166 4.163 1.00 0.00 C ATOM 234 CD LYS A 14 5.296 -14.153 3.035 1.00 0.00 C ATOM 235 CE LYS A 14 5.646 -15.610 3.373 1.00 0.00 C ATOM 236 NZ LYS A 14 5.167 -16.547 2.332 1.00 0.00 N ATOM 0 H LYS A 14 3.759 -10.780 3.352 1.00 0.00 H new ATOM 0 HA LYS A 14 5.685 -10.947 5.512 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.615 -11.680 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.107 -11.728 3.506 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.443 -13.561 4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.765 -13.058 4.821 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.232 -14.087 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.835 -13.858 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.726 -15.708 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.204 -15.877 4.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.422 -17.520 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.133 -16.472 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 5.608 -16.309 1.421 1.00 0.00 H new ATOM 250 N HIS A 15 5.797 -8.464 3.359 1.00 0.00 N ATOM 251 CA HIS A 15 6.458 -7.206 3.032 1.00 0.00 C ATOM 252 C HIS A 15 6.224 -6.154 4.118 1.00 0.00 C ATOM 253 O HIS A 15 5.463 -5.200 3.929 1.00 0.00 O ATOM 254 CB HIS A 15 5.993 -6.714 1.660 1.00 0.00 C ATOM 255 CG HIS A 15 6.744 -7.354 0.529 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.903 -6.871 -0.035 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.419 -8.523 -0.104 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.262 -7.733 -0.999 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.398 -8.760 -1.074 1.00 0.00 N ATOM 0 H HIS A 15 4.933 -8.620 2.840 1.00 0.00 H new ATOM 0 HA HIS A 15 7.533 -7.379 2.988 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.929 -6.920 1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.116 -5.632 1.606 1.00 0.00 H new ATOM 0 HD1 HIS A 15 8.396 -6.018 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.564 -9.148 0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.130 -7.617 -1.631 1.00 0.00 H new ATOM 267 N LYS A 16 6.922 -6.325 5.245 1.00 0.00 N ATOM 268 CA LYS A 16 6.906 -5.373 6.344 1.00 0.00 C ATOM 269 C LYS A 16 8.320 -5.043 6.850 1.00 0.00 C ATOM 270 O LYS A 16 8.483 -4.695 8.023 1.00 0.00 O ATOM 271 CB LYS A 16 6.016 -5.936 7.466 1.00 0.00 C ATOM 272 CG LYS A 16 5.353 -4.778 8.221 1.00 0.00 C ATOM 273 CD LYS A 16 5.115 -5.070 9.707 1.00 0.00 C ATOM 274 CE LYS A 16 5.209 -3.754 10.497 1.00 0.00 C ATOM 275 NZ LYS A 16 5.077 -3.957 11.951 1.00 0.00 N ATOM 0 H LYS A 16 7.516 -7.136 5.415 1.00 0.00 H new ATOM 0 HA LYS A 16 6.493 -4.428 5.990 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.255 -6.594 7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.613 -6.537 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.979 -3.890 8.130 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.399 -4.546 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.135 -5.525 9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.854 -5.783 10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.165 -3.275 10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.429 -3.073 10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.147 -3.040 12.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.154 -4.389 12.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.836 -4.585 12.284 1.00 0.00 H new ATOM 334 N SER A 20 11.194 -2.544 3.160 1.00 0.00 N ATOM 335 CA SER A 20 10.261 -3.250 2.287 1.00 0.00 C ATOM 336 C SER A 20 8.902 -3.243 2.991 1.00 0.00 C ATOM 337 O SER A 20 8.432 -4.273 3.473 1.00 0.00 O ATOM 338 CB SER A 20 10.755 -4.662 1.921 1.00 0.00 C ATOM 339 OG SER A 20 10.030 -5.191 0.821 1.00 0.00 O ATOM 0 HA SER A 20 10.177 -2.747 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.817 -4.627 1.677 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.648 -5.322 2.782 1.00 0.00 H new ATOM 0 HG SER A 20 10.365 -6.087 0.609 1.00 0.00 H new ATOM 345 N THR A 21 8.310 -2.049 3.080 1.00 0.00 N ATOM 346 CA THR A 21 6.937 -1.818 3.502 1.00 0.00 C ATOM 347 C THR A 21 6.101 -1.711 2.225 1.00 0.00 C ATOM 348 O THR A 21 6.326 -0.815 1.406 1.00 0.00 O ATOM 349 CB THR A 21 6.844 -0.550 4.381 1.00 0.00 C ATOM 350 OG1 THR A 21 7.045 -0.890 5.744 1.00 0.00 O ATOM 351 CG2 THR A 21 5.499 0.186 4.267 1.00 0.00 C ATOM 0 H THR A 21 8.800 -1.185 2.849 1.00 0.00 H new ATOM 0 HA THR A 21 6.561 -2.633 4.121 1.00 0.00 H new ATOM 0 HB THR A 21 7.621 0.121 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.416 -0.387 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.509 1.065 4.912 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.340 0.496 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.693 -0.480 4.574 1.00 0.00 H new ATOM 359 N TRP A 22 5.144 -2.627 2.072 1.00 0.00 N ATOM 360 CA TRP A 22 4.072 -2.552 1.086 1.00 0.00 C ATOM 361 C TRP A 22 2.796 -2.067 1.773 1.00 0.00 C ATOM 362 O TRP A 22 2.766 -1.966 2.996 1.00 0.00 O ATOM 363 CB TRP A 22 3.883 -3.937 0.484 1.00 0.00 C ATOM 364 CG TRP A 22 4.899 -4.346 -0.538 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.077 -3.751 -0.840 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.774 -5.456 -1.458 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.665 -4.413 -1.900 1.00 0.00 N ATOM 368 CE2 TRP A 22 5.914 -5.494 -2.306 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.771 -6.413 -1.669 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.062 -6.460 -3.309 1.00 0.00 C ATOM 371 CZ3 TRP A 22 3.928 -7.424 -2.634 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.079 -7.454 -3.445 1.00 0.00 C ATOM 0 H TRP A 22 5.094 -3.466 2.650 1.00 0.00 H new ATOM 0 HA TRP A 22 4.317 -1.849 0.289 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.893 -4.669 1.292 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.895 -3.982 0.025 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.492 -2.893 -0.332 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.547 -4.135 -2.330 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.865 -6.373 -1.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 6.918 -6.441 -3.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.165 -8.179 -2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.206 -8.242 -4.172 1.00 0.00 H new ATOM 383 N VAL A 23 1.737 -1.793 1.010 1.00 0.00 N ATOM 384 CA VAL A 23 0.390 -1.559 1.524 1.00 0.00 C ATOM 385 C VAL A 23 -0.583 -1.888 0.391 1.00 0.00 C ATOM 386 O VAL A 23 -0.213 -1.737 -0.776 1.00 0.00 O ATOM 387 CB VAL A 23 0.201 -0.097 1.987 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.606 0.153 3.444 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.952 0.906 1.110 1.00 0.00 C ATOM 0 H VAL A 23 1.795 -1.726 -0.006 1.00 0.00 H new ATOM 0 HA VAL A 23 0.210 -2.187 2.397 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.874 0.059 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.444 1.202 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.003 -0.473 4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.660 -0.092 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.781 1.916 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.019 0.685 1.136 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.592 0.834 0.084 1.00 0.00 H new ATOM 399 N ILE A 24 -1.808 -2.335 0.707 1.00 0.00 N ATOM 400 CA ILE A 24 -2.857 -2.483 -0.288 1.00 0.00 C ATOM 401 C ILE A 24 -3.986 -1.520 0.014 1.00 0.00 C ATOM 402 O ILE A 24 -4.421 -1.433 1.164 1.00 0.00 O ATOM 403 CB ILE A 24 -3.315 -3.931 -0.445 1.00 0.00 C ATOM 404 CG1 ILE A 24 -4.283 -4.418 0.626 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.091 -4.836 -0.433 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.757 -4.086 0.343 1.00 0.00 C ATOM 0 H ILE A 24 -2.088 -2.599 1.652 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.452 -2.220 -1.265 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.859 -3.971 -1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.179 -5.498 0.729 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.000 -3.978 1.582 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.405 -5.874 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.431 -4.566 -1.257 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.560 -4.717 0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.378 -4.468 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.879 -3.005 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.061 -4.549 -0.596 1.00 0.00 H new ATOM 418 N LEU A 25 -4.410 -0.760 -0.999 1.00 0.00 N ATOM 419 CA LEU A 25 -5.467 0.224 -0.855 1.00 0.00 C ATOM 420 C LEU A 25 -6.523 -0.071 -1.923 1.00 0.00 C ATOM 421 O LEU A 25 -6.210 -0.052 -3.108 1.00 0.00 O ATOM 422 CB LEU A 25 -4.925 1.666 -0.916 1.00 0.00 C ATOM 423 CG LEU A 25 -3.572 1.906 -0.217 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.277 3.398 -0.203 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.515 1.467 1.247 1.00 0.00 C ATOM 0 H LEU A 25 -4.024 -0.816 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.926 0.148 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.827 1.953 -1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.665 2.331 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.857 1.311 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.321 3.575 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.232 3.770 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.066 3.920 0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.525 1.676 1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.264 2.014 1.820 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.716 0.398 1.314 1.00 0.00 H new ATOM 437 N HIS A 26 -7.760 -0.395 -1.538 1.00 0.00 N ATOM 438 CA HIS A 26 -8.841 -0.676 -2.486 1.00 0.00 C ATOM 439 C HIS A 26 -8.469 -1.821 -3.440 1.00 0.00 C ATOM 440 O HIS A 26 -8.557 -1.683 -4.661 1.00 0.00 O ATOM 441 CB HIS A 26 -9.248 0.589 -3.262 1.00 0.00 C ATOM 442 CG HIS A 26 -9.619 1.759 -2.392 1.00 0.00 C ATOM 443 ND1 HIS A 26 -10.897 2.160 -2.071 1.00 0.00 N ATOM 444 CD2 HIS A 26 -8.749 2.668 -1.852 1.00 0.00 C ATOM 445 CE1 HIS A 26 -10.794 3.283 -1.341 1.00 0.00 C ATOM 446 NE2 HIS A 26 -9.506 3.634 -1.194 1.00 0.00 N ATOM 0 H HIS A 26 -8.040 -0.470 -0.560 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.706 -1.001 -1.908 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.424 0.882 -3.913 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.093 0.349 -3.907 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.672 2.641 -1.923 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.631 3.828 -0.929 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -9.151 4.451 -0.696 1.00 0.00 H new ATOM 454 N HIS A 27 -8.060 -2.960 -2.870 1.00 0.00 N ATOM 455 CA HIS A 27 -7.731 -4.188 -3.595 1.00 0.00 C ATOM 456 C HIS A 27 -6.617 -4.011 -4.635 1.00 0.00 C ATOM 457 O HIS A 27 -6.507 -4.802 -5.572 1.00 0.00 O ATOM 458 CB HIS A 27 -9.001 -4.833 -4.184 1.00 0.00 C ATOM 459 CG HIS A 27 -9.908 -5.523 -3.193 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.991 -6.301 -3.539 1.00 0.00 N ATOM 461 CD2 HIS A 27 -9.743 -5.634 -1.835 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.463 -6.868 -2.417 1.00 0.00 C ATOM 463 NE2 HIS A 27 -10.739 -6.489 -1.354 1.00 0.00 N ATOM 0 H HIS A 27 -7.946 -3.053 -1.861 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.314 -4.881 -2.865 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.574 -4.060 -4.696 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.700 -5.559 -4.939 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.981 -5.148 -1.244 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.310 -7.537 -2.376 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.886 -6.770 -0.384 1.00 0.00 H new ATOM 471 N LYS A 28 -5.754 -3.011 -4.451 1.00 0.00 N ATOM 472 CA LYS A 28 -4.626 -2.729 -5.321 1.00 0.00 C ATOM 473 C LYS A 28 -3.383 -2.686 -4.443 1.00 0.00 C ATOM 474 O LYS A 28 -3.407 -2.019 -3.409 1.00 0.00 O ATOM 475 CB LYS A 28 -4.883 -1.398 -6.027 1.00 0.00 C ATOM 476 CG LYS A 28 -5.941 -1.604 -7.116 1.00 0.00 C ATOM 477 CD LYS A 28 -6.570 -0.274 -7.530 1.00 0.00 C ATOM 478 CE LYS A 28 -7.412 -0.495 -8.795 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.527 0.464 -8.897 1.00 0.00 N ATOM 0 H LYS A 28 -5.828 -2.360 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.488 -3.489 -6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.223 -0.651 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.960 -1.021 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.486 -2.081 -7.984 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.716 -2.279 -6.752 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.194 0.115 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.794 0.468 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.774 -0.403 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.808 -1.511 -8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.067 0.277 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.151 0.360 -8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.150 1.433 -8.926 1.00 0.00 H new ATOM 493 N VAL A 29 -2.338 -3.430 -4.824 1.00 0.00 N ATOM 494 CA VAL A 29 -1.103 -3.515 -4.061 1.00 0.00 C ATOM 495 C VAL A 29 -0.168 -2.413 -4.542 1.00 0.00 C ATOM 496 O VAL A 29 0.072 -2.278 -5.747 1.00 0.00 O ATOM 497 CB VAL A 29 -0.456 -4.911 -4.163 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.732 -5.038 -3.197 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.470 -6.010 -3.837 1.00 0.00 C ATOM 0 H VAL A 29 -2.333 -3.990 -5.676 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.318 -3.371 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.107 -5.029 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.171 -6.032 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.482 -4.286 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.387 -4.886 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.988 -6.985 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.843 -5.871 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.301 -5.958 -4.540 1.00 0.00 H new ATOM 509 N TYR A 30 0.346 -1.632 -3.591 1.00 0.00 N ATOM 510 CA TYR A 30 1.256 -0.533 -3.835 1.00 0.00 C ATOM 511 C TYR A 30 2.570 -0.840 -3.127 1.00 0.00 C ATOM 512 O TYR A 30 2.575 -1.052 -1.911 1.00 0.00 O ATOM 513 CB TYR A 30 0.615 0.757 -3.317 1.00 0.00 C ATOM 514 CG TYR A 30 -0.694 1.078 -4.006 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.680 1.614 -5.300 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.922 0.735 -3.415 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.883 1.849 -5.986 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.124 1.032 -4.078 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.108 1.604 -5.356 1.00 0.00 C ATOM 520 OH TYR A 30 -4.269 1.977 -5.966 1.00 0.00 O ATOM 0 H TYR A 30 0.128 -1.758 -2.602 1.00 0.00 H new ATOM 0 HA TYR A 30 1.459 -0.404 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.443 0.667 -2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.309 1.585 -3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.262 1.848 -5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.941 0.244 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.862 2.219 -7.000 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.068 0.818 -3.599 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.030 1.735 -5.398 1.00 0.00 H new ATOM 530 N ASP A 31 3.675 -0.869 -3.883 1.00 0.00 N ATOM 531 CA ASP A 31 4.999 -0.929 -3.280 1.00 0.00 C ATOM 532 C ASP A 31 5.436 0.508 -3.055 1.00 0.00 C ATOM 533 O ASP A 31 5.666 1.243 -4.014 1.00 0.00 O ATOM 534 CB ASP A 31 6.022 -1.675 -4.146 1.00 0.00 C ATOM 535 CG ASP A 31 7.317 -1.916 -3.372 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.560 -1.191 -2.383 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.003 -2.907 -3.707 1.00 0.00 O ATOM 0 H ASP A 31 3.673 -0.852 -4.903 1.00 0.00 H new ATOM 0 HA ASP A 31 4.948 -1.491 -2.348 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.604 -2.628 -4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.233 -1.097 -5.046 1.00 0.00 H new ATOM 542 N LEU A 32 5.483 0.921 -1.790 1.00 0.00 N ATOM 543 CA LEU A 32 5.985 2.229 -1.434 1.00 0.00 C ATOM 544 C LEU A 32 7.471 2.101 -1.119 1.00 0.00 C ATOM 545 O LEU A 32 8.278 2.079 -2.041 1.00 0.00 O ATOM 546 CB LEU A 32 5.137 2.815 -0.304 1.00 0.00 C ATOM 547 CG LEU A 32 3.676 3.061 -0.724 1.00 0.00 C ATOM 548 CD1 LEU A 32 3.007 3.917 0.351 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.509 3.728 -2.095 1.00 0.00 C ATOM 0 H LEU A 32 5.176 0.359 -0.997 1.00 0.00 H new ATOM 0 HA LEU A 32 5.899 2.940 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.156 2.136 0.549 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.579 3.755 0.027 1.00 0.00 H new ATOM 0 HG LEU A 32 3.205 2.083 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.970 4.104 0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.038 3.392 1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.535 4.866 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.448 3.862 -2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.004 4.699 -2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.956 3.097 -2.863 1.00 0.00 H new ATOM 561 N THR A 33 7.837 2.052 0.168 1.00 0.00 N ATOM 562 CA THR A 33 9.189 1.914 0.689 1.00 0.00 C ATOM 563 C THR A 33 10.040 3.143 0.349 1.00 0.00 C ATOM 564 O THR A 33 10.359 3.957 1.211 1.00 0.00 O ATOM 565 CB THR A 33 9.759 0.558 0.252 1.00 0.00 C ATOM 566 OG1 THR A 33 9.051 -0.434 0.968 1.00 0.00 O ATOM 567 CG2 THR A 33 11.250 0.418 0.562 1.00 0.00 C ATOM 0 H THR A 33 7.146 2.112 0.916 1.00 0.00 H new ATOM 0 HA THR A 33 9.192 1.898 1.779 1.00 0.00 H new ATOM 0 HB THR A 33 9.648 0.460 -0.828 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.088 -0.291 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.600 -0.560 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.805 1.197 0.040 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.409 0.517 1.636 1.00 0.00 H new ATOM 575 N LYS A 34 10.330 3.336 -0.930 1.00 0.00 N ATOM 576 CA LYS A 34 11.043 4.490 -1.455 1.00 0.00 C ATOM 577 C LYS A 34 10.159 5.744 -1.502 1.00 0.00 C ATOM 578 O LYS A 34 10.597 6.769 -2.013 1.00 0.00 O ATOM 579 CB LYS A 34 11.582 4.143 -2.847 1.00 0.00 C ATOM 580 CG LYS A 34 12.533 2.941 -2.792 1.00 0.00 C ATOM 581 CD LYS A 34 13.131 2.691 -4.184 1.00 0.00 C ATOM 582 CE LYS A 34 14.154 1.546 -4.175 1.00 0.00 C ATOM 583 NZ LYS A 34 15.432 1.943 -3.551 1.00 0.00 N ATOM 0 H LYS A 34 10.066 2.669 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 34 11.870 4.725 -0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.751 3.922 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.105 5.005 -3.262 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.329 3.128 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.996 2.055 -2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.330 2.456 -4.885 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.610 3.602 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.738 0.694 -3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.338 1.218 -5.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.091 1.139 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.844 2.739 -4.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.263 2.232 -2.566 1.00 0.00 H new ATOM 597 N PHE A 35 8.931 5.673 -0.973 1.00 0.00 N ATOM 598 CA PHE A 35 8.003 6.792 -0.896 1.00 0.00 C ATOM 599 C PHE A 35 7.768 7.190 0.561 1.00 0.00 C ATOM 600 O PHE A 35 7.064 8.157 0.824 1.00 0.00 O ATOM 601 CB PHE A 35 6.697 6.402 -1.599 1.00 0.00 C ATOM 602 CG PHE A 35 5.600 7.455 -1.616 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.831 8.720 -2.185 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.341 7.170 -1.058 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.807 9.682 -2.218 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.299 8.106 -1.142 1.00 0.00 C ATOM 607 CZ PHE A 35 3.534 9.370 -1.711 1.00 0.00 C ATOM 0 H PHE A 35 8.553 4.812 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 35 8.423 7.662 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.930 6.134 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.304 5.506 -1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.801 8.954 -2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.175 6.225 -0.562 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.998 10.661 -2.633 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.317 7.856 -0.770 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.739 10.099 -1.758 1.00 0.00 H new ATOM 617 N LEU A 36 8.351 6.466 1.522 1.00 0.00 N ATOM 618 CA LEU A 36 8.138 6.736 2.935 1.00 0.00 C ATOM 619 C LEU A 36 8.435 8.206 3.275 1.00 0.00 C ATOM 620 O LEU A 36 7.570 8.902 3.801 1.00 0.00 O ATOM 621 CB LEU A 36 8.986 5.767 3.764 1.00 0.00 C ATOM 622 CG LEU A 36 8.470 4.315 3.819 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.388 3.477 4.720 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.030 4.194 4.331 1.00 0.00 C ATOM 0 H LEU A 36 8.978 5.683 1.337 1.00 0.00 H new ATOM 0 HA LEU A 36 7.088 6.574 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.998 5.760 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.053 6.150 4.782 1.00 0.00 H new ATOM 0 HG LEU A 36 8.478 3.948 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.022 2.451 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.401 3.487 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.394 3.898 5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.735 3.145 4.342 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.968 4.600 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.362 4.752 3.674 1.00 0.00 H new ATOM 636 N GLU A 37 9.641 8.688 2.956 1.00 0.00 N ATOM 637 CA GLU A 37 10.010 10.083 3.173 1.00 0.00 C ATOM 638 C GLU A 37 9.192 11.028 2.285 1.00 0.00 C ATOM 639 O GLU A 37 8.715 12.057 2.756 1.00 0.00 O ATOM 640 CB GLU A 37 11.520 10.265 2.944 1.00 0.00 C ATOM 641 CG GLU A 37 12.283 10.298 4.274 1.00 0.00 C ATOM 642 CD GLU A 37 13.785 10.376 4.039 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.277 11.514 3.885 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.406 9.293 3.994 1.00 0.00 O ATOM 0 H GLU A 37 10.382 8.122 2.543 1.00 0.00 H new ATOM 0 HA GLU A 37 9.780 10.344 4.206 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.897 9.451 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.698 11.190 2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.958 11.156 4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.048 9.406 4.855 1.00 0.00 H new ATOM 651 N GLU A 38 9.057 10.704 0.995 1.00 0.00 N ATOM 652 CA GLU A 38 8.370 11.567 0.040 1.00 0.00 C ATOM 653 C GLU A 38 6.911 11.823 0.430 1.00 0.00 C ATOM 654 O GLU A 38 6.411 12.931 0.241 1.00 0.00 O ATOM 655 CB GLU A 38 8.421 10.955 -1.363 1.00 0.00 C ATOM 656 CG GLU A 38 9.689 11.301 -2.160 1.00 0.00 C ATOM 657 CD GLU A 38 9.382 11.510 -3.642 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.462 12.309 -3.924 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.068 10.871 -4.465 1.00 0.00 O ATOM 0 H GLU A 38 9.420 9.841 0.589 1.00 0.00 H new ATOM 0 HA GLU A 38 8.891 12.524 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.345 9.871 -1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.550 11.292 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.142 12.204 -1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.419 10.500 -2.049 1.00 0.00 H new ATOM 666 N HIS A 39 6.208 10.792 0.906 1.00 0.00 N ATOM 667 CA HIS A 39 4.804 10.884 1.271 1.00 0.00 C ATOM 668 C HIS A 39 4.601 12.085 2.197 1.00 0.00 C ATOM 669 O HIS A 39 5.165 12.097 3.289 1.00 0.00 O ATOM 670 CB HIS A 39 4.365 9.584 1.956 1.00 0.00 C ATOM 671 CG HIS A 39 2.934 9.567 2.444 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.542 9.250 3.722 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.793 9.699 1.695 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.208 9.205 3.747 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.695 9.475 2.536 1.00 0.00 N ATOM 0 H HIS A 39 6.607 9.864 1.048 1.00 0.00 H new ATOM 0 HA HIS A 39 4.194 11.024 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.504 8.759 1.258 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.024 9.398 2.804 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.162 9.079 4.514 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.749 9.934 0.642 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.620 8.981 4.625 1.00 0.00 H new ATOM 683 N PRO A 40 3.798 13.089 1.811 1.00 0.00 N ATOM 684 CA PRO A 40 3.605 14.273 2.632 1.00 0.00 C ATOM 685 C PRO A 40 2.928 13.899 3.952 1.00 0.00 C ATOM 686 O PRO A 40 3.220 14.493 4.986 1.00 0.00 O ATOM 687 CB PRO A 40 2.773 15.237 1.782 1.00 0.00 C ATOM 688 CG PRO A 40 2.019 14.306 0.837 1.00 0.00 C ATOM 689 CD PRO A 40 3.004 13.164 0.598 1.00 0.00 C ATOM 0 HA PRO A 40 4.545 14.746 2.915 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.091 15.828 2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.403 15.940 1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.091 13.948 1.282 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.753 14.808 -0.093 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.482 12.226 0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.631 13.360 -0.272 1.00 0.00 H new ATOM 697 N GLY A 41 2.077 12.867 3.937 1.00 0.00 N ATOM 698 CA GLY A 41 1.497 12.316 5.151 1.00 0.00 C ATOM 699 C GLY A 41 2.510 11.590 6.036 1.00 0.00 C ATOM 700 O GLY A 41 2.164 11.178 7.140 1.00 0.00 O ATOM 0 H GLY A 41 1.777 12.397 3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.038 13.122 5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.700 11.623 4.881 1.00 0.00 H new ATOM 704 N GLY A 42 3.748 11.416 5.565 1.00 0.00 N ATOM 705 CA GLY A 42 4.853 10.948 6.371 1.00 0.00 C ATOM 706 C GLY A 42 5.145 9.476 6.249 1.00 0.00 C ATOM 707 O GLY A 42 4.348 8.693 5.736 1.00 0.00 O ATOM 0 H GLY A 42 4.003 11.603 4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.748 11.506 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.645 11.177 7.416 1.00 0.00 H new ATOM 711 N GLU A 43 6.292 9.095 6.801 1.00 0.00 N ATOM 712 CA GLU A 43 6.726 7.722 6.766 1.00 0.00 C ATOM 713 C GLU A 43 5.931 6.932 7.818 1.00 0.00 C ATOM 714 O GLU A 43 5.437 5.840 7.543 1.00 0.00 O ATOM 715 CB GLU A 43 8.244 7.695 7.040 1.00 0.00 C ATOM 716 CG GLU A 43 8.823 6.306 7.373 1.00 0.00 C ATOM 717 CD GLU A 43 8.824 5.938 8.856 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.706 6.866 9.683 1.00 0.00 O ATOM 719 OE2 GLU A 43 8.958 4.725 9.128 1.00 0.00 O ATOM 0 H GLU A 43 6.934 9.729 7.278 1.00 0.00 H new ATOM 0 HA GLU A 43 6.545 7.260 5.795 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.763 8.088 6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.460 8.370 7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.253 5.553 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.847 6.259 7.003 1.00 0.00 H new ATOM 726 N GLU A 44 5.802 7.483 9.028 1.00 0.00 N ATOM 727 CA GLU A 44 5.327 6.746 10.192 1.00 0.00 C ATOM 728 C GLU A 44 3.937 6.155 9.938 1.00 0.00 C ATOM 729 O GLU A 44 3.760 4.940 10.018 1.00 0.00 O ATOM 730 CB GLU A 44 5.375 7.635 11.444 1.00 0.00 C ATOM 731 CG GLU A 44 5.402 6.780 12.719 1.00 0.00 C ATOM 732 CD GLU A 44 5.195 7.630 13.966 1.00 0.00 C ATOM 733 OE1 GLU A 44 4.038 8.056 14.168 1.00 0.00 O ATOM 734 OE2 GLU A 44 6.194 7.851 14.683 1.00 0.00 O ATOM 0 H GLU A 44 6.027 8.458 9.224 1.00 0.00 H new ATOM 0 HA GLU A 44 5.992 5.902 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.259 8.272 11.409 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.507 8.294 11.461 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.625 6.018 12.664 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.356 6.258 12.788 1.00 0.00 H new ATOM 741 N VAL A 45 2.955 6.991 9.563 1.00 0.00 N ATOM 742 CA VAL A 45 1.621 6.526 9.257 1.00 0.00 C ATOM 743 C VAL A 45 1.649 5.426 8.180 1.00 0.00 C ATOM 744 O VAL A 45 0.827 4.517 8.209 1.00 0.00 O ATOM 745 CB VAL A 45 0.735 7.743 8.910 1.00 0.00 C ATOM 746 CG1 VAL A 45 0.929 8.244 7.473 1.00 0.00 C ATOM 747 CG2 VAL A 45 -0.705 7.437 9.218 1.00 0.00 C ATOM 0 H VAL A 45 3.077 7.999 9.468 1.00 0.00 H new ATOM 0 HA VAL A 45 1.173 6.044 10.126 1.00 0.00 H new ATOM 0 HB VAL A 45 1.056 8.571 9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.278 9.100 7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.967 8.542 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.680 7.447 6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.322 8.301 8.970 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.029 6.579 8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.810 7.209 10.279 1.00 0.00 H new ATOM 757 N LEU A 46 2.611 5.454 7.251 1.00 0.00 N ATOM 758 CA LEU A 46 2.777 4.375 6.283 1.00 0.00 C ATOM 759 C LEU A 46 3.351 3.113 6.938 1.00 0.00 C ATOM 760 O LEU A 46 2.871 2.011 6.668 1.00 0.00 O ATOM 761 CB LEU A 46 3.631 4.842 5.094 1.00 0.00 C ATOM 762 CG LEU A 46 2.827 5.643 4.063 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.800 6.311 3.084 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.868 4.719 3.306 1.00 0.00 C ATOM 0 H LEU A 46 3.284 6.214 7.153 1.00 0.00 H new ATOM 0 HA LEU A 46 1.792 4.109 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.454 5.455 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.074 3.973 4.607 1.00 0.00 H new ATOM 0 HG LEU A 46 2.238 6.406 4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.238 6.884 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.466 6.979 3.631 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.389 5.546 2.578 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.303 5.300 2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.438 3.946 2.791 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.179 4.253 4.011 1.00 0.00 H new ATOM 776 N ARG A 47 4.379 3.243 7.782 1.00 0.00 N ATOM 777 CA ARG A 47 4.996 2.093 8.442 1.00 0.00 C ATOM 778 C ARG A 47 4.134 1.464 9.539 1.00 0.00 C ATOM 779 O ARG A 47 4.399 0.321 9.913 1.00 0.00 O ATOM 780 CB ARG A 47 6.414 2.415 8.948 1.00 0.00 C ATOM 781 CG ARG A 47 7.522 2.094 7.929 1.00 0.00 C ATOM 782 CD ARG A 47 8.685 1.317 8.571 1.00 0.00 C ATOM 783 NE ARG A 47 8.446 -0.143 8.611 1.00 0.00 N ATOM 784 CZ ARG A 47 9.173 -1.019 9.327 1.00 0.00 C ATOM 785 NH1 ARG A 47 10.093 -0.573 10.190 1.00 0.00 N ATOM 786 NH2 ARG A 47 8.995 -2.338 9.196 1.00 0.00 N ATOM 0 H ARG A 47 4.802 4.139 8.024 1.00 0.00 H new ATOM 0 HA ARG A 47 5.080 1.331 7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.466 3.472 9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.600 1.853 9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.103 1.509 7.110 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.899 3.022 7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.600 1.516 8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.844 1.683 9.585 1.00 0.00 H new ATOM 0 HE ARG A 47 7.674 -0.511 8.055 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.242 0.430 10.304 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.646 -1.236 10.734 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.297 -2.696 8.544 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.557 -2.986 9.748 1.00 0.00 H new ATOM 800 N GLU A 48 3.123 2.180 10.036 1.00 0.00 N ATOM 801 CA GLU A 48 2.233 1.759 11.106 1.00 0.00 C ATOM 802 C GLU A 48 1.757 0.315 10.934 1.00 0.00 C ATOM 803 O GLU A 48 2.102 -0.564 11.724 1.00 0.00 O ATOM 804 CB GLU A 48 1.051 2.743 11.167 1.00 0.00 C ATOM 805 CG GLU A 48 1.161 3.759 12.308 1.00 0.00 C ATOM 806 CD GLU A 48 0.840 3.114 13.651 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.366 3.053 13.972 1.00 0.00 O ATOM 808 OE2 GLU A 48 1.799 2.667 14.316 1.00 0.00 O ATOM 0 H GLU A 48 2.897 3.110 9.684 1.00 0.00 H new ATOM 0 HA GLU A 48 2.778 1.776 12.050 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.985 3.278 10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.125 2.180 11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.168 4.175 12.333 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.478 4.589 12.127 1.00 0.00 H new ATOM 815 N GLN A 49 0.966 0.073 9.888 1.00 0.00 N ATOM 816 CA GLN A 49 0.462 -1.251 9.584 1.00 0.00 C ATOM 817 C GLN A 49 1.517 -1.929 8.724 1.00 0.00 C ATOM 818 O GLN A 49 2.216 -2.830 9.187 1.00 0.00 O ATOM 819 CB GLN A 49 -0.889 -1.154 8.857 1.00 0.00 C ATOM 820 CG GLN A 49 -2.023 -0.685 9.776 1.00 0.00 C ATOM 821 CD GLN A 49 -2.417 -1.730 10.815 1.00 0.00 C ATOM 822 OE1 GLN A 49 -2.163 -1.560 12.002 1.00 0.00 O ATOM 823 NE2 GLN A 49 -3.051 -2.819 10.393 1.00 0.00 N ATOM 0 H GLN A 49 0.662 0.794 9.233 1.00 0.00 H new ATOM 0 HA GLN A 49 0.284 -1.831 10.489 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.797 -0.463 8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.144 -2.129 8.441 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.716 0.229 10.285 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.894 -0.435 9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.252 -2.940 9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.337 -3.534 11.062 1.00 0.00 H new ATOM 832 N ALA A 50 1.636 -1.438 7.484 1.00 0.00 N ATOM 833 CA ALA A 50 2.435 -2.016 6.416 1.00 0.00 C ATOM 834 C ALA A 50 2.061 -3.477 6.110 1.00 0.00 C ATOM 835 O ALA A 50 1.555 -4.204 6.958 1.00 0.00 O ATOM 836 CB ALA A 50 3.916 -1.818 6.732 1.00 0.00 C ATOM 0 H ALA A 50 1.153 -0.588 7.193 1.00 0.00 H new ATOM 0 HA ALA A 50 2.214 -1.489 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.519 -2.250 5.934 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.131 -0.753 6.814 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.156 -2.310 7.675 1.00 0.00 H new ATOM 842 N GLY A 51 2.293 -3.903 4.867 1.00 0.00 N ATOM 843 CA GLY A 51 1.962 -5.228 4.362 1.00 0.00 C ATOM 844 C GLY A 51 0.556 -5.653 4.784 1.00 0.00 C ATOM 845 O GLY A 51 0.394 -6.617 5.524 1.00 0.00 O ATOM 0 H GLY A 51 2.732 -3.310 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.033 -5.232 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.688 -5.952 4.732 1.00 0.00 H new ATOM 849 N GLY A 52 -0.475 -4.930 4.345 1.00 0.00 N ATOM 850 CA GLY A 52 -1.802 -5.181 4.857 1.00 0.00 C ATOM 851 C GLY A 52 -2.816 -4.230 4.243 1.00 0.00 C ATOM 852 O GLY A 52 -2.464 -3.371 3.421 1.00 0.00 O ATOM 0 H GLY A 52 -0.410 -4.185 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.089 -6.211 4.643 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.804 -5.069 5.941 1.00 0.00 H new ATOM 856 N ASP A 53 -4.067 -4.421 4.655 1.00 0.00 N ATOM 857 CA ASP A 53 -5.234 -3.653 4.262 1.00 0.00 C ATOM 858 C ASP A 53 -5.147 -2.286 4.935 1.00 0.00 C ATOM 859 O ASP A 53 -5.848 -2.000 5.901 1.00 0.00 O ATOM 860 CB ASP A 53 -6.528 -4.407 4.644 1.00 0.00 C ATOM 861 CG ASP A 53 -6.865 -5.616 3.768 1.00 0.00 C ATOM 862 OD1 ASP A 53 -7.553 -5.397 2.749 1.00 0.00 O ATOM 863 OD2 ASP A 53 -6.482 -6.752 4.132 1.00 0.00 O ATOM 0 H ASP A 53 -4.302 -5.164 5.313 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.261 -3.516 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.442 -4.741 5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.362 -3.706 4.604 1.00 0.00 H new ATOM 868 N ALA A 54 -4.306 -1.396 4.396 1.00 0.00 N ATOM 869 CA ALA A 54 -4.174 -0.060 4.954 1.00 0.00 C ATOM 870 C ALA A 54 -5.299 0.864 4.474 1.00 0.00 C ATOM 871 O ALA A 54 -5.280 2.057 4.790 1.00 0.00 O ATOM 872 CB ALA A 54 -2.792 0.509 4.639 1.00 0.00 C ATOM 0 H ALA A 54 -3.716 -1.580 3.584 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.270 -0.128 6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.705 1.510 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.026 -0.135 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.657 0.559 3.559 1.00 0.00 H new ATOM 878 N THR A 55 -6.270 0.337 3.713 1.00 0.00 N ATOM 879 CA THR A 55 -7.429 1.094 3.276 1.00 0.00 C ATOM 880 C THR A 55 -8.044 1.853 4.440 1.00 0.00 C ATOM 881 O THR A 55 -8.189 3.060 4.322 1.00 0.00 O ATOM 882 CB THR A 55 -8.464 0.214 2.555 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.931 -0.148 1.302 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.748 0.994 2.250 1.00 0.00 C ATOM 0 H THR A 55 -6.264 -0.630 3.388 1.00 0.00 H new ATOM 0 HA THR A 55 -7.086 1.823 2.542 1.00 0.00 H new ATOM 0 HB THR A 55 -8.685 -0.639 3.196 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.907 -1.125 1.226 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.457 0.342 1.740 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.187 1.350 3.182 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.514 1.845 1.611 1.00 0.00 H new ATOM 892 N GLU A 56 -8.370 1.188 5.548 1.00 0.00 N ATOM 893 CA GLU A 56 -8.947 1.806 6.728 1.00 0.00 C ATOM 894 C GLU A 56 -8.251 3.129 7.047 1.00 0.00 C ATOM 895 O GLU A 56 -8.900 4.168 7.120 1.00 0.00 O ATOM 896 CB GLU A 56 -8.873 0.834 7.918 1.00 0.00 C ATOM 897 CG GLU A 56 -9.996 -0.219 7.923 1.00 0.00 C ATOM 898 CD GLU A 56 -9.796 -1.423 7.000 1.00 0.00 C ATOM 899 OE1 GLU A 56 -9.203 -1.246 5.913 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.292 -2.500 7.388 1.00 0.00 O ATOM 0 H GLU A 56 -8.235 0.182 5.646 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.995 2.030 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.909 0.325 7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.917 1.404 8.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.118 -0.585 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.929 0.273 7.647 1.00 0.00 H new ATOM 907 N ASN A 57 -6.928 3.109 7.208 1.00 0.00 N ATOM 908 CA ASN A 57 -6.198 4.302 7.614 1.00 0.00 C ATOM 909 C ASN A 57 -6.092 5.313 6.465 1.00 0.00 C ATOM 910 O ASN A 57 -6.104 6.521 6.699 1.00 0.00 O ATOM 911 CB ASN A 57 -4.823 3.917 8.165 1.00 0.00 C ATOM 912 CG ASN A 57 -4.277 4.933 9.173 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.544 4.556 10.080 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.605 6.218 9.057 1.00 0.00 N ATOM 0 H ASN A 57 -6.346 2.284 7.064 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.755 4.794 8.412 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.890 2.939 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.120 3.820 7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.246 6.899 9.726 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.216 6.522 8.299 1.00 0.00 H new ATOM 921 N PHE A 58 -5.974 4.836 5.221 1.00 0.00 N ATOM 922 CA PHE A 58 -5.968 5.704 4.047 1.00 0.00 C ATOM 923 C PHE A 58 -7.295 6.468 3.910 1.00 0.00 C ATOM 924 O PHE A 58 -7.284 7.672 3.655 1.00 0.00 O ATOM 925 CB PHE A 58 -5.656 4.867 2.801 1.00 0.00 C ATOM 926 CG PHE A 58 -5.759 5.597 1.474 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.647 6.277 0.942 1.00 0.00 C ATOM 928 CD2 PHE A 58 -6.938 5.501 0.713 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.694 6.807 -0.358 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.005 6.077 -0.566 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.877 6.712 -1.111 1.00 0.00 C ATOM 0 H PHE A 58 -5.881 3.844 5.004 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.190 6.458 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.646 4.468 2.898 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.335 4.015 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.753 6.392 1.537 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.796 4.982 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.822 7.287 -0.778 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.924 6.032 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.919 7.127 -2.107 1.00 0.00 H new ATOM 941 N GLU A 59 -8.423 5.770 4.079 1.00 0.00 N ATOM 942 CA GLU A 59 -9.792 6.262 3.945 1.00 0.00 C ATOM 943 C GLU A 59 -10.222 7.056 5.179 1.00 0.00 C ATOM 944 O GLU A 59 -10.996 8.000 5.050 1.00 0.00 O ATOM 945 CB GLU A 59 -10.765 5.097 3.698 1.00 0.00 C ATOM 946 CG GLU A 59 -10.848 4.692 2.216 1.00 0.00 C ATOM 947 CD GLU A 59 -11.603 5.709 1.358 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.678 6.151 1.815 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.125 5.997 0.239 1.00 0.00 O ATOM 0 H GLU A 59 -8.399 4.782 4.329 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.819 6.932 3.085 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.451 4.236 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.758 5.378 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.839 4.570 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.340 3.723 2.137 1.00 0.00 H new ATOM 956 N ASP A 60 -9.703 6.714 6.364 1.00 0.00 N ATOM 957 CA ASP A 60 -9.834 7.551 7.553 1.00 0.00 C ATOM 958 C ASP A 60 -9.445 8.995 7.210 1.00 0.00 C ATOM 959 O ASP A 60 -10.132 9.942 7.586 1.00 0.00 O ATOM 960 CB ASP A 60 -8.969 6.974 8.681 1.00 0.00 C ATOM 961 CG ASP A 60 -9.045 7.815 9.945 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.153 7.877 10.520 1.00 0.00 O ATOM 963 OD2 ASP A 60 -7.986 8.359 10.326 1.00 0.00 O ATOM 0 H ASP A 60 -9.183 5.851 6.521 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.868 7.560 7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.293 5.957 8.902 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -7.933 6.913 8.348 1.00 0.00 H new ATOM 968 N VAL A 61 -8.372 9.148 6.424 1.00 0.00 N ATOM 969 CA VAL A 61 -7.963 10.428 5.851 1.00 0.00 C ATOM 970 C VAL A 61 -8.683 10.732 4.526 1.00 0.00 C ATOM 971 O VAL A 61 -8.908 11.896 4.193 1.00 0.00 O ATOM 972 CB VAL A 61 -6.429 10.483 5.778 1.00 0.00 C ATOM 973 CG1 VAL A 61 -5.942 11.748 5.058 1.00 0.00 C ATOM 974 CG2 VAL A 61 -5.830 10.431 7.196 1.00 0.00 C ATOM 0 H VAL A 61 -7.759 8.374 6.167 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.279 11.241 6.504 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.094 9.618 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.852 11.752 5.026 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.335 11.762 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.292 12.630 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.743 10.471 7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.191 11.281 7.775 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.132 9.505 7.685 1.00 0.00 H new ATOM 984 N GLY A 62 -9.053 9.716 3.749 1.00 0.00 N ATOM 985 CA GLY A 62 -9.892 9.863 2.567 1.00 0.00 C ATOM 986 C GLY A 62 -9.028 9.989 1.321 1.00 0.00 C ATOM 987 O GLY A 62 -9.162 9.190 0.399 1.00 0.00 O ATOM 0 H GLY A 62 -8.772 8.752 3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.555 9.003 2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.526 10.744 2.669 1.00 0.00 H new ATOM 991 N HIS A 63 -8.139 10.990 1.322 1.00 0.00 N ATOM 992 CA HIS A 63 -7.193 11.296 0.252 1.00 0.00 C ATOM 993 C HIS A 63 -7.870 11.806 -1.029 1.00 0.00 C ATOM 994 O HIS A 63 -8.818 11.218 -1.548 1.00 0.00 O ATOM 995 CB HIS A 63 -6.291 10.100 -0.071 1.00 0.00 C ATOM 996 CG HIS A 63 -5.223 9.820 0.946 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.374 9.111 2.113 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.887 10.059 0.773 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.144 8.933 2.621 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.192 9.461 1.822 1.00 0.00 N ATOM 0 H HIS A 63 -8.059 11.636 2.107 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.576 12.108 0.637 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.914 9.212 -0.176 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.816 10.272 -1.037 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.252 8.783 2.516 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.446 10.617 -0.040 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.941 8.429 3.554 1.00 0.00 H new ATOM 1008 N SER A 64 -7.352 12.907 -1.577 1.00 0.00 N ATOM 1009 CA SER A 64 -7.832 13.464 -2.831 1.00 0.00 C ATOM 1010 C SER A 64 -7.369 12.633 -4.034 1.00 0.00 C ATOM 1011 O SER A 64 -6.471 11.794 -3.935 1.00 0.00 O ATOM 1012 CB SER A 64 -7.348 14.913 -2.942 1.00 0.00 C ATOM 1013 OG SER A 64 -7.564 15.580 -1.713 1.00 0.00 O ATOM 0 H SER A 64 -6.586 13.434 -1.158 1.00 0.00 H new ATOM 0 HA SER A 64 -8.922 13.440 -2.838 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.289 14.935 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.880 15.425 -3.744 1.00 0.00 H new ATOM 0 HG SER A 64 -7.252 16.506 -1.784 1.00 0.00 H new ATOM 1019 N THR A 65 -7.977 12.906 -5.191 1.00 0.00 N ATOM 1020 CA THR A 65 -7.650 12.306 -6.476 1.00 0.00 C ATOM 1021 C THR A 65 -6.140 12.268 -6.720 1.00 0.00 C ATOM 1022 O THR A 65 -5.622 11.226 -7.110 1.00 0.00 O ATOM 1023 CB THR A 65 -8.382 13.085 -7.575 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.711 13.315 -7.141 1.00 0.00 O ATOM 1025 CG2 THR A 65 -8.392 12.330 -8.908 1.00 0.00 C ATOM 0 H THR A 65 -8.741 13.579 -5.255 1.00 0.00 H new ATOM 0 HA THR A 65 -7.980 11.267 -6.484 1.00 0.00 H new ATOM 0 HB THR A 65 -7.858 14.025 -7.747 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.198 13.814 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.921 12.920 -9.656 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.367 12.161 -9.238 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.895 11.372 -8.780 1.00 0.00 H new ATOM 1033 N ASP A 66 -5.444 13.385 -6.473 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.991 13.500 -6.555 1.00 0.00 C ATOM 1035 C ASP A 66 -3.302 12.254 -6.018 1.00 0.00 C ATOM 1036 O ASP A 66 -2.559 11.576 -6.726 1.00 0.00 O ATOM 1037 CB ASP A 66 -3.533 14.716 -5.738 1.00 0.00 C ATOM 1038 CG ASP A 66 -3.650 15.991 -6.550 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -4.812 16.389 -6.781 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -2.585 16.521 -6.930 1.00 0.00 O ATOM 0 H ASP A 66 -5.895 14.259 -6.202 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.719 13.617 -7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.136 14.800 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.500 14.577 -5.420 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.568 11.952 -4.749 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.010 10.793 -4.091 1.00 0.00 C ATOM 1047 C ALA A 67 -3.419 9.530 -4.830 1.00 0.00 C ATOM 1048 O ALA A 67 -2.543 8.775 -5.219 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.475 10.745 -2.647 1.00 0.00 C ATOM 0 H ALA A 67 -4.179 12.511 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.922 10.862 -4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.051 9.869 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.146 11.646 -2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.563 10.686 -2.617 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.720 9.308 -5.038 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.230 8.111 -5.712 1.00 0.00 C ATOM 1057 C ARG A 68 -4.502 7.855 -7.040 1.00 0.00 C ATOM 1058 O ARG A 68 -4.174 6.711 -7.361 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.752 8.215 -5.902 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.459 8.142 -4.540 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.937 8.566 -4.582 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.856 7.428 -4.394 1.00 0.00 N ATOM 1063 CZ ARG A 68 -11.151 7.542 -4.050 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -11.708 8.753 -3.936 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -11.890 6.447 -3.836 1.00 0.00 N ATOM 0 H ARG A 68 -5.451 9.955 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.028 7.248 -5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.001 9.152 -6.400 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.102 7.408 -6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.394 7.122 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.929 8.778 -3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.121 9.309 -3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.147 9.045 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.483 6.489 -4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -11.150 9.589 -4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -12.690 8.840 -3.675 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.471 5.522 -3.934 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.872 6.537 -3.575 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.231 8.910 -7.806 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.478 8.806 -9.043 1.00 0.00 C ATOM 1081 C GLU A 69 -1.990 8.560 -8.771 1.00 0.00 C ATOM 1082 O GLU A 69 -1.389 7.712 -9.430 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.734 10.039 -9.919 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.166 10.030 -10.481 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.394 8.881 -11.457 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.795 8.903 -12.551 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.120 7.930 -11.088 1.00 0.00 O ATOM 0 H GLU A 69 -4.530 9.859 -7.582 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.825 7.936 -9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.575 10.945 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.018 10.061 -10.740 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.877 9.952 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.363 10.977 -10.984 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.383 9.243 -7.794 1.00 0.00 N ATOM 1095 CA LEU A 70 0.001 8.965 -7.417 1.00 0.00 C ATOM 1096 C LEU A 70 0.136 7.475 -7.065 1.00 0.00 C ATOM 1097 O LEU A 70 1.026 6.798 -7.571 1.00 0.00 O ATOM 1098 CB LEU A 70 0.481 9.890 -6.277 1.00 0.00 C ATOM 1099 CG LEU A 70 1.994 10.233 -6.288 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.905 9.156 -6.885 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.231 11.529 -7.072 1.00 0.00 C ATOM 0 H LEU A 70 -1.827 9.986 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 70 0.655 9.180 -8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.085 10.820 -6.325 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.240 9.419 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 70 2.260 10.326 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.941 9.493 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.801 8.234 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.622 8.974 -7.922 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.296 11.763 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.884 11.402 -8.098 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.682 12.344 -6.601 1.00 0.00 H new ATOM 1113 N SER A 71 -0.781 6.925 -6.260 1.00 0.00 N ATOM 1114 CA SER A 71 -0.868 5.506 -5.974 1.00 0.00 C ATOM 1115 C SER A 71 -0.707 4.683 -7.246 1.00 0.00 C ATOM 1116 O SER A 71 0.068 3.737 -7.255 1.00 0.00 O ATOM 1117 CB SER A 71 -2.194 5.185 -5.277 1.00 0.00 C ATOM 1118 OG SER A 71 -2.505 6.188 -4.331 1.00 0.00 O ATOM 0 H SER A 71 -1.495 7.475 -5.783 1.00 0.00 H new ATOM 0 HA SER A 71 -0.053 5.239 -5.302 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.993 5.111 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.127 4.216 -4.782 1.00 0.00 H new ATOM 0 HG SER A 71 -3.355 5.973 -3.894 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.394 5.041 -8.334 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.264 4.320 -9.597 1.00 0.00 C ATOM 1126 C LYS A 72 0.209 4.153 -9.988 1.00 0.00 C ATOM 1127 O LYS A 72 0.641 3.057 -10.322 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.050 5.013 -10.717 1.00 0.00 C ATOM 1129 CG LYS A 72 -2.892 3.995 -11.504 1.00 0.00 C ATOM 1130 CD LYS A 72 -3.370 4.546 -12.857 1.00 0.00 C ATOM 1131 CE LYS A 72 -4.192 5.842 -12.765 1.00 0.00 C ATOM 1132 NZ LYS A 72 -5.528 5.646 -12.175 1.00 0.00 N ATOM 0 H LYS A 72 -2.045 5.826 -8.363 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.690 3.327 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.700 5.778 -10.292 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.360 5.520 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.303 3.093 -11.670 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.757 3.705 -10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.500 4.727 -13.489 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.971 3.784 -13.353 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.643 6.570 -12.169 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.302 6.265 -13.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.687 6.356 -11.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.252 5.750 -12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.589 4.693 -11.762 1.00 0.00 H new ATOM 1146 N THR A 73 0.998 5.221 -9.896 1.00 0.00 N ATOM 1147 CA THR A 73 2.429 5.172 -10.166 1.00 0.00 C ATOM 1148 C THR A 73 3.185 4.194 -9.244 1.00 0.00 C ATOM 1149 O THR A 73 4.234 3.686 -9.634 1.00 0.00 O ATOM 1150 CB THR A 73 2.971 6.609 -10.124 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.513 7.304 -11.266 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.489 6.685 -10.059 1.00 0.00 C ATOM 0 H THR A 73 0.660 6.146 -9.631 1.00 0.00 H new ATOM 0 HA THR A 73 2.600 4.761 -11.161 1.00 0.00 H new ATOM 0 HB THR A 73 2.599 7.065 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.852 8.223 -11.247 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.800 7.729 -10.032 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.841 6.178 -9.160 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.915 6.202 -10.938 1.00 0.00 H new ATOM 1160 N TYR A 74 2.668 3.902 -8.046 1.00 0.00 N ATOM 1161 CA TYR A 74 3.256 2.935 -7.120 1.00 0.00 C ATOM 1162 C TYR A 74 2.603 1.560 -7.242 1.00 0.00 C ATOM 1163 O TYR A 74 2.994 0.627 -6.535 1.00 0.00 O ATOM 1164 CB TYR A 74 3.103 3.436 -5.680 1.00 0.00 C ATOM 1165 CG TYR A 74 3.948 4.646 -5.343 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.346 4.578 -5.473 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.346 5.837 -4.898 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.117 5.745 -5.347 1.00 0.00 C ATOM 1169 CE2 TYR A 74 4.134 6.977 -4.675 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.498 6.957 -5.007 1.00 0.00 C ATOM 1171 OH TYR A 74 6.219 8.109 -5.048 1.00 0.00 O ATOM 0 H TYR A 74 1.818 4.338 -7.690 1.00 0.00 H new ATOM 0 HA TYR A 74 4.311 2.835 -7.377 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.055 3.680 -5.503 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.362 2.626 -4.998 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.826 3.631 -5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.280 5.874 -4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.184 5.709 -5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.693 7.866 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 74 6.068 8.619 -4.225 1.00 0.00 H new ATOM 1181 N ILE A 75 1.573 1.430 -8.082 1.00 0.00 N ATOM 1182 CA ILE A 75 0.827 0.195 -8.186 1.00 0.00 C ATOM 1183 C ILE A 75 1.756 -0.869 -8.742 1.00 0.00 C ATOM 1184 O ILE A 75 2.379 -0.671 -9.784 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.462 0.397 -9.001 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.556 -0.562 -8.499 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.279 0.209 -10.518 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.944 -0.129 -8.974 1.00 0.00 C ATOM 0 H ILE A 75 1.244 2.174 -8.698 1.00 0.00 H new ATOM 0 HA ILE A 75 0.483 -0.142 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.754 1.436 -8.848 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.347 -1.571 -8.854 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.538 -0.598 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.232 0.368 -11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.452 0.928 -10.888 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.074 -0.803 -10.719 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.691 -0.829 -8.601 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.162 0.870 -8.597 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.969 -0.119 -10.064 1.00 0.00 H new ATOM 1200 N ILE A 76 1.870 -1.988 -8.034 1.00 0.00 N ATOM 1201 CA ILE A 76 2.593 -3.127 -8.563 1.00 0.00 C ATOM 1202 C ILE A 76 1.569 -4.050 -9.207 1.00 0.00 C ATOM 1203 O ILE A 76 1.685 -4.350 -10.393 1.00 0.00 O ATOM 1204 CB ILE A 76 3.515 -3.751 -7.500 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.773 -4.220 -6.238 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.590 -2.711 -7.149 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.703 -4.759 -5.150 1.00 0.00 C ATOM 0 H ILE A 76 1.474 -2.125 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 76 3.300 -2.848 -9.344 1.00 0.00 H new ATOM 0 HB ILE A 76 3.959 -4.655 -7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.198 -3.387 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.059 -4.997 -6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.262 -3.122 -6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.159 -2.459 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.113 -1.813 -6.758 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.113 -5.072 -4.289 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.260 -5.612 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.400 -3.978 -4.847 1.00 0.00 H new ATOM 1219 N GLY A 77 0.538 -4.439 -8.451 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.507 -5.339 -8.904 1.00 0.00 C ATOM 1221 C GLY A 77 -1.692 -5.277 -7.948 1.00 0.00 C ATOM 1222 O GLY A 77 -2.113 -4.188 -7.556 1.00 0.00 O ATOM 0 H GLY A 77 0.411 -4.126 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.825 -5.065 -9.910 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.124 -6.358 -8.957 1.00 0.00 H new ATOM 1226 N GLU A 78 -2.236 -6.433 -7.569 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.550 -6.520 -6.948 1.00 0.00 C ATOM 1228 C GLU A 78 -3.641 -7.751 -6.043 1.00 0.00 C ATOM 1229 O GLU A 78 -2.764 -8.617 -6.054 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.657 -6.471 -8.022 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.225 -7.012 -9.399 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.393 -7.198 -10.366 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.558 -7.152 -9.917 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.118 -7.476 -11.550 1.00 0.00 O ATOM 0 H GLU A 78 -1.774 -7.335 -7.686 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.703 -5.655 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -5.514 -7.046 -7.671 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.990 -5.440 -8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.502 -6.327 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.718 -7.967 -9.264 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.677 -7.789 -5.204 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.904 -8.908 -4.302 1.00 0.00 C ATOM 1243 C LEU A 79 -5.258 -10.151 -5.120 1.00 0.00 C ATOM 1244 O LEU A 79 -6.104 -10.079 -6.012 1.00 0.00 O ATOM 1245 CB LEU A 79 -6.005 -8.557 -3.284 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.406 -8.046 -1.964 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.468 -7.347 -1.111 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.856 -9.212 -1.138 1.00 0.00 C ATOM 0 H LEU A 79 -5.375 -7.049 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.997 -9.119 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.663 -7.797 -3.705 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.618 -9.437 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.612 -7.347 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.016 -6.996 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.875 -6.498 -1.660 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.270 -8.049 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.436 -8.832 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.662 -9.911 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.078 -9.724 -1.705 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.595 -11.278 -4.837 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.790 -12.534 -5.557 1.00 0.00 C ATOM 1262 C HIS A 80 -6.285 -12.869 -5.672 1.00 0.00 C ATOM 1263 O HIS A 80 -6.997 -12.795 -4.669 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.014 -13.651 -4.842 1.00 0.00 C ATOM 1265 CG HIS A 80 -3.603 -14.796 -5.731 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -4.238 -16.007 -5.863 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.475 -14.841 -6.502 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -3.522 -16.748 -6.726 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -2.439 -16.078 -7.152 1.00 0.00 N ATOM 0 H HIS A 80 -3.901 -11.340 -4.092 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.405 -12.436 -6.572 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.121 -13.222 -4.388 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.629 -14.041 -4.030 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.739 -14.056 -6.593 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.783 -17.749 -7.036 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.735 -16.405 -7.814 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.775 -13.241 -6.870 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.199 -13.373 -7.144 1.00 0.00 C ATOM 1279 C PRO A 81 -8.859 -14.392 -6.212 1.00 0.00 C ATOM 1280 O PRO A 81 -10.034 -14.244 -5.860 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.315 -13.739 -8.628 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.948 -14.323 -8.983 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.999 -13.582 -8.049 1.00 0.00 C ATOM 0 HA PRO A 81 -8.736 -12.445 -6.949 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.112 -14.462 -8.798 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.544 -12.864 -9.236 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.915 -15.400 -8.819 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.697 -14.153 -10.030 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.145 -14.207 -7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.603 -12.686 -8.527 1.00 0.00 H new