USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 743 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 52 THR OG1 : rot 180:sc= 0.123 USER MOD Set 1.2: A 53 ASN : amide:sc= 0.736 K(o=0.86,f=-3.3!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0) USER MOD Set 2.2: A 58 GLN : amide:sc= 0.953 K(o=2.1,f=-4.2) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ -107:sc= 0.0366 (180deg=0) USER MOD Single : A 12 CYS SG : rot 83:sc= 0.286 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 17 MET CE :methyl -174:sc= -0.395 (180deg=-0.439) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.794 K(o=0.79,f=-6.2!) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00119) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -126:sc= 0 (180deg=-0.0988) USER MOD Single : A 36 CYS SG : rot 29:sc= -0.3 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0793 X(o=-0.079,f=-0.26) USER MOD Single : A 51 SER OG : rot 130:sc= 1.28 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 72:sc= 0.664 USER MOD Single : A 60 ASN : amide:sc= 0.756 K(o=0.76,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.349 K(o=0.35,f=-3.4!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0762 X(o=-0.076,f=-0.076) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 24:sc= 0.952 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 17.496 -8.509 16.536 1.00 0.00 N ATOM 2 CA GLY A -3 16.202 -8.083 15.959 1.00 0.00 C ATOM 3 C GLY A -3 16.258 -8.012 14.439 1.00 0.00 C ATOM 4 O GLY A -3 17.323 -7.801 13.858 1.00 0.00 O ATOM 0 H1 GLY A -3 17.417 -9.486 16.883 1.00 0.00 H new ATOM 0 H2 GLY A -3 18.235 -8.460 15.806 1.00 0.00 H new ATOM 0 H3 GLY A -3 17.748 -7.881 17.326 1.00 0.00 H new ATOM 0 HA2 GLY A -3 15.421 -8.781 16.262 1.00 0.00 H new ATOM 0 HA3 GLY A -3 15.929 -7.106 16.359 1.00 0.00 H new ATOM 10 N SER A -2 15.114 -8.174 13.777 1.00 0.00 N ATOM 11 CA SER A -2 14.973 -8.212 12.309 1.00 0.00 C ATOM 12 C SER A -2 13.500 -8.044 11.872 1.00 0.00 C ATOM 13 O SER A -2 12.578 -8.155 12.687 1.00 0.00 O ATOM 14 CB SER A -2 15.569 -9.516 11.738 1.00 0.00 C ATOM 15 OG SER A -2 14.961 -10.680 12.294 1.00 0.00 O ATOM 0 H SER A -2 14.222 -8.287 14.259 1.00 0.00 H new ATOM 0 HA SER A -2 15.532 -7.369 11.903 1.00 0.00 H new ATOM 0 HB2 SER A -2 15.444 -9.526 10.655 1.00 0.00 H new ATOM 0 HB3 SER A -2 16.641 -9.540 11.935 1.00 0.00 H new ATOM 0 HG SER A -2 15.368 -11.481 11.902 1.00 0.00 H new ATOM 21 N SER A -1 13.259 -7.768 10.587 1.00 0.00 N ATOM 22 CA SER A -1 11.927 -7.486 10.022 1.00 0.00 C ATOM 23 C SER A -1 11.901 -7.629 8.487 1.00 0.00 C ATOM 24 O SER A -1 12.934 -7.493 7.820 1.00 0.00 O ATOM 25 CB SER A -1 11.445 -6.081 10.441 1.00 0.00 C ATOM 26 OG SER A -1 12.363 -5.044 10.097 1.00 0.00 O ATOM 0 H SER A -1 14.002 -7.732 9.889 1.00 0.00 H new ATOM 0 HA SER A -1 11.243 -8.232 10.428 1.00 0.00 H new ATOM 0 HB2 SER A -1 10.484 -5.878 9.968 1.00 0.00 H new ATOM 0 HB3 SER A -1 11.279 -6.067 11.518 1.00 0.00 H new ATOM 0 HG SER A -1 12.003 -4.179 10.385 1.00 0.00 H new ATOM 32 N GLY A 0 10.714 -7.891 7.920 1.00 0.00 N ATOM 33 CA GLY A 0 10.476 -7.963 6.470 1.00 0.00 C ATOM 34 C GLY A 0 10.173 -6.600 5.839 1.00 0.00 C ATOM 35 O GLY A 0 10.217 -5.562 6.500 1.00 0.00 O ATOM 0 H GLY A 0 9.872 -8.063 8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 0 11.352 -8.393 5.986 1.00 0.00 H new ATOM 0 HA3 GLY A 0 9.642 -8.638 6.278 1.00 0.00 H new ATOM 39 N SER A 1 9.845 -6.608 4.547 1.00 0.00 N ATOM 40 CA SER A 1 9.484 -5.432 3.736 1.00 0.00 C ATOM 41 C SER A 1 8.892 -5.856 2.372 1.00 0.00 C ATOM 42 O SER A 1 8.729 -7.048 2.096 1.00 0.00 O ATOM 43 CB SER A 1 10.706 -4.513 3.542 1.00 0.00 C ATOM 44 OG SER A 1 10.293 -3.207 3.155 1.00 0.00 O ATOM 0 H SER A 1 9.821 -7.473 4.006 1.00 0.00 H new ATOM 0 HA SER A 1 8.716 -4.874 4.272 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.279 -4.460 4.468 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.366 -4.932 2.782 1.00 0.00 H new ATOM 0 HG SER A 1 11.081 -2.636 3.038 1.00 0.00 H new ATOM 50 N SER A 2 8.589 -4.897 1.495 1.00 0.00 N ATOM 51 CA SER A 2 8.104 -5.125 0.126 1.00 0.00 C ATOM 52 C SER A 2 8.418 -3.928 -0.789 1.00 0.00 C ATOM 53 O SER A 2 8.401 -2.769 -0.357 1.00 0.00 O ATOM 54 CB SER A 2 6.598 -5.421 0.123 1.00 0.00 C ATOM 55 OG SER A 2 6.167 -5.793 -1.181 1.00 0.00 O ATOM 0 H SER A 2 8.676 -3.907 1.722 1.00 0.00 H new ATOM 0 HA SER A 2 8.630 -5.995 -0.267 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.377 -6.222 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.048 -4.542 0.458 1.00 0.00 H new ATOM 0 HG SER A 2 5.205 -5.980 -1.167 1.00 0.00 H new ATOM 61 N GLY A 3 8.708 -4.205 -2.067 1.00 0.00 N ATOM 62 CA GLY A 3 9.185 -3.209 -3.035 1.00 0.00 C ATOM 63 C GLY A 3 8.118 -2.219 -3.500 1.00 0.00 C ATOM 64 O GLY A 3 8.471 -1.158 -4.005 1.00 0.00 O ATOM 0 H GLY A 3 8.617 -5.141 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.010 -2.653 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.585 -3.729 -3.906 1.00 0.00 H new ATOM 68 N ILE A 4 6.827 -2.515 -3.317 1.00 0.00 N ATOM 69 CA ILE A 4 5.722 -1.625 -3.730 1.00 0.00 C ATOM 70 C ILE A 4 5.614 -0.359 -2.866 1.00 0.00 C ATOM 71 O ILE A 4 5.324 0.722 -3.378 1.00 0.00 O ATOM 72 CB ILE A 4 4.397 -2.417 -3.795 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.249 -1.613 -4.440 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.941 -2.904 -2.407 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.466 -1.279 -5.920 1.00 0.00 C ATOM 0 H ILE A 4 6.512 -3.380 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 4 5.948 -1.260 -4.732 1.00 0.00 H new ATOM 0 HB ILE A 4 4.616 -3.279 -4.426 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.323 -2.180 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.116 -0.684 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.006 -3.455 -2.504 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.704 -3.556 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.790 -2.046 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.613 -0.713 -6.294 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.372 -0.683 -6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.567 -2.202 -6.490 1.00 0.00 H new ATOM 87 N LYS A 5 5.929 -0.457 -1.572 1.00 0.00 N ATOM 88 CA LYS A 5 5.937 0.688 -0.652 1.00 0.00 C ATOM 89 C LYS A 5 7.078 1.661 -1.012 1.00 0.00 C ATOM 90 O LYS A 5 6.894 2.879 -1.028 1.00 0.00 O ATOM 91 CB LYS A 5 6.012 0.136 0.789 1.00 0.00 C ATOM 92 CG LYS A 5 5.250 0.966 1.837 1.00 0.00 C ATOM 93 CD LYS A 5 5.906 2.291 2.259 1.00 0.00 C ATOM 94 CE LYS A 5 7.278 2.152 2.936 1.00 0.00 C ATOM 95 NZ LYS A 5 7.202 1.407 4.220 1.00 0.00 N ATOM 0 H LYS A 5 6.188 -1.338 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 5 5.024 1.278 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.619 -0.881 0.795 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.059 0.074 1.086 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.257 1.185 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.113 0.352 2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.016 2.921 1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.233 2.811 2.941 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.963 1.639 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.693 3.143 3.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.050 1.607 4.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.355 1.705 4.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.148 0.387 4.027 1.00 0.00 H new ATOM 109 N ASN A 6 8.235 1.115 -1.405 1.00 0.00 N ATOM 110 CA ASN A 6 9.359 1.880 -1.948 1.00 0.00 C ATOM 111 C ASN A 6 9.090 2.411 -3.373 1.00 0.00 C ATOM 112 O ASN A 6 9.575 3.485 -3.720 1.00 0.00 O ATOM 113 CB ASN A 6 10.617 0.999 -1.915 1.00 0.00 C ATOM 114 CG ASN A 6 11.868 1.765 -2.340 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.234 2.772 -1.744 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.556 1.318 -3.376 1.00 0.00 N ATOM 0 H ASN A 6 8.417 0.113 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 6 9.503 2.763 -1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.758 0.607 -0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.476 0.142 -2.574 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.395 1.811 -3.682 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.248 0.480 -3.869 1.00 0.00 H new ATOM 123 N PHE A 7 8.288 1.709 -4.186 1.00 0.00 N ATOM 124 CA PHE A 7 7.951 2.118 -5.553 1.00 0.00 C ATOM 125 C PHE A 7 7.100 3.389 -5.572 1.00 0.00 C ATOM 126 O PHE A 7 7.402 4.299 -6.341 1.00 0.00 O ATOM 127 CB PHE A 7 7.239 0.971 -6.281 1.00 0.00 C ATOM 128 CG PHE A 7 6.795 1.314 -7.689 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.724 1.306 -8.746 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.456 1.667 -7.938 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.311 1.646 -10.047 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.045 2.006 -9.239 1.00 0.00 C ATOM 133 CZ PHE A 7 5.971 1.992 -10.295 1.00 0.00 C ATOM 0 H PHE A 7 7.851 0.831 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 7 8.879 2.348 -6.076 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.907 0.110 -6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.367 0.671 -5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.754 1.039 -8.558 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.742 1.678 -7.128 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.025 1.641 -10.857 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.017 2.277 -9.427 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.654 2.247 -11.296 1.00 0.00 H new ATOM 143 N LEU A 8 6.088 3.493 -4.697 1.00 0.00 N ATOM 144 CA LEU A 8 5.301 4.723 -4.556 1.00 0.00 C ATOM 145 C LEU A 8 6.175 5.891 -4.079 1.00 0.00 C ATOM 146 O LEU A 8 6.095 6.988 -4.628 1.00 0.00 O ATOM 147 CB LEU A 8 4.113 4.468 -3.609 1.00 0.00 C ATOM 148 CG LEU A 8 3.155 5.671 -3.449 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.609 6.197 -4.786 1.00 0.00 C ATOM 150 CD2 LEU A 8 1.973 5.272 -2.555 1.00 0.00 C ATOM 0 H LEU A 8 5.797 2.738 -4.077 1.00 0.00 H new ATOM 0 HA LEU A 8 4.907 5.009 -5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.546 3.614 -3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.499 4.193 -2.627 1.00 0.00 H new ATOM 0 HG LEU A 8 3.738 6.474 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 8 1.944 7.040 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.438 6.520 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.057 5.404 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.299 6.121 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.436 4.440 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.343 4.971 -1.575 1.00 0.00 H new ATOM 162 N TYR A 9 7.057 5.646 -3.105 1.00 0.00 N ATOM 163 CA TYR A 9 7.982 6.657 -2.587 1.00 0.00 C ATOM 164 C TYR A 9 8.981 7.152 -3.652 1.00 0.00 C ATOM 165 O TYR A 9 9.205 8.357 -3.781 1.00 0.00 O ATOM 166 CB TYR A 9 8.701 6.085 -1.358 1.00 0.00 C ATOM 167 CG TYR A 9 9.549 7.099 -0.615 1.00 0.00 C ATOM 168 CD1 TYR A 9 8.978 7.875 0.413 1.00 0.00 C ATOM 169 CD2 TYR A 9 10.904 7.278 -0.958 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.752 8.836 1.091 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.683 8.239 -0.285 1.00 0.00 C ATOM 172 CZ TYR A 9 11.109 9.023 0.742 1.00 0.00 C ATOM 173 OH TYR A 9 11.868 9.950 1.391 1.00 0.00 O ATOM 0 H TYR A 9 7.149 4.737 -2.652 1.00 0.00 H new ATOM 0 HA TYR A 9 7.407 7.537 -2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.959 5.675 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.335 5.257 -1.673 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.942 7.732 0.682 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.346 6.677 -1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.309 9.430 1.877 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.720 8.377 -0.554 1.00 0.00 H new ATOM 0 HH TYR A 9 12.777 9.944 1.024 1.00 0.00 H new ATOM 183 N ALA A 10 9.539 6.239 -4.454 1.00 0.00 N ATOM 184 CA ALA A 10 10.452 6.552 -5.557 1.00 0.00 C ATOM 185 C ALA A 10 9.747 7.278 -6.715 1.00 0.00 C ATOM 186 O ALA A 10 10.292 8.237 -7.257 1.00 0.00 O ATOM 187 CB ALA A 10 11.112 5.248 -6.024 1.00 0.00 C ATOM 0 H ALA A 10 9.364 5.239 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 10 11.214 7.244 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.796 5.460 -6.846 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.665 4.804 -5.197 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.344 4.552 -6.362 1.00 0.00 H new ATOM 193 N TRP A 11 8.515 6.882 -7.055 1.00 0.00 N ATOM 194 CA TRP A 11 7.678 7.567 -8.043 1.00 0.00 C ATOM 195 C TRP A 11 7.380 9.012 -7.621 1.00 0.00 C ATOM 196 O TRP A 11 7.555 9.939 -8.410 1.00 0.00 O ATOM 197 CB TRP A 11 6.384 6.768 -8.235 1.00 0.00 C ATOM 198 CG TRP A 11 5.391 7.401 -9.159 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.306 7.215 -10.496 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.323 8.337 -8.819 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.273 7.979 -11.008 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.645 8.705 -10.017 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.856 8.907 -7.616 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.580 9.615 -10.018 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.781 9.813 -7.607 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.147 10.175 -8.807 1.00 0.00 C ATOM 0 H TRP A 11 8.066 6.064 -6.644 1.00 0.00 H new ATOM 0 HA TRP A 11 8.215 7.621 -8.990 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.637 5.779 -8.617 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.914 6.623 -7.262 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.948 6.568 -11.076 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.009 8.003 -11.993 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.333 8.642 -6.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.095 9.884 -10.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.441 10.233 -6.672 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.330 10.881 -8.797 1.00 0.00 H new ATOM 217 N CYS A 12 7.009 9.214 -6.351 1.00 0.00 N ATOM 218 CA CYS A 12 6.845 10.545 -5.755 1.00 0.00 C ATOM 219 C CYS A 12 8.143 11.370 -5.841 1.00 0.00 C ATOM 220 O CYS A 12 8.113 12.519 -6.286 1.00 0.00 O ATOM 221 CB CYS A 12 6.389 10.391 -4.297 1.00 0.00 C ATOM 222 SG CYS A 12 4.684 9.784 -4.182 1.00 0.00 S ATOM 0 H CYS A 12 6.813 8.451 -5.703 1.00 0.00 H new ATOM 0 HA CYS A 12 6.086 11.089 -6.318 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.056 9.701 -3.779 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.467 11.352 -3.789 1.00 0.00 H new ATOM 0 HG CYS A 12 4.675 8.489 -4.299 1.00 0.00 H new ATOM 228 N GLY A 13 9.290 10.774 -5.494 1.00 0.00 N ATOM 229 CA GLY A 13 10.602 11.437 -5.483 1.00 0.00 C ATOM 230 C GLY A 13 11.115 11.830 -6.872 1.00 0.00 C ATOM 231 O GLY A 13 11.825 12.828 -6.999 1.00 0.00 O ATOM 0 H GLY A 13 9.334 9.796 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.540 12.332 -4.864 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.328 10.774 -5.013 1.00 0.00 H new ATOM 235 N LYS A 14 10.699 11.122 -7.928 1.00 0.00 N ATOM 236 CA LYS A 14 10.994 11.467 -9.332 1.00 0.00 C ATOM 237 C LYS A 14 10.107 12.615 -9.863 1.00 0.00 C ATOM 238 O LYS A 14 10.349 13.137 -10.955 1.00 0.00 O ATOM 239 CB LYS A 14 10.859 10.196 -10.193 1.00 0.00 C ATOM 240 CG LYS A 14 12.029 9.221 -9.963 1.00 0.00 C ATOM 241 CD LYS A 14 11.809 7.853 -10.628 1.00 0.00 C ATOM 242 CE LYS A 14 11.722 7.960 -12.157 1.00 0.00 C ATOM 243 NZ LYS A 14 11.595 6.624 -12.797 1.00 0.00 N ATOM 0 H LYS A 14 10.137 10.276 -7.834 1.00 0.00 H new ATOM 0 HA LYS A 14 12.016 11.841 -9.390 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.919 9.697 -9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.819 10.473 -11.246 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.946 9.664 -10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.172 9.079 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.626 7.184 -10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.892 7.407 -10.244 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.866 8.577 -12.430 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.611 8.462 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.539 6.737 -13.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.424 6.044 -12.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.733 6.155 -12.453 1.00 0.00 H new ATOM 257 N ARG A 15 9.101 13.017 -9.075 1.00 0.00 N ATOM 258 CA ARG A 15 8.110 14.064 -9.361 1.00 0.00 C ATOM 259 C ARG A 15 8.147 15.216 -8.333 1.00 0.00 C ATOM 260 O ARG A 15 7.257 16.067 -8.334 1.00 0.00 O ATOM 261 CB ARG A 15 6.717 13.408 -9.417 1.00 0.00 C ATOM 262 CG ARG A 15 6.586 12.339 -10.519 1.00 0.00 C ATOM 263 CD ARG A 15 5.201 11.683 -10.539 1.00 0.00 C ATOM 264 NE ARG A 15 4.135 12.637 -10.908 1.00 0.00 N ATOM 265 CZ ARG A 15 3.253 12.517 -11.896 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.253 11.529 -12.761 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.304 13.408 -12.054 1.00 0.00 N ATOM 0 H ARG A 15 8.947 12.592 -8.161 1.00 0.00 H new ATOM 0 HA ARG A 15 8.350 14.521 -10.321 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.500 12.952 -8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.966 14.181 -9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.782 12.796 -11.489 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.346 11.572 -10.369 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.204 10.854 -11.246 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.986 11.263 -9.556 1.00 0.00 H new ATOM 0 HE ARG A 15 4.068 13.483 -10.341 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.959 10.795 -12.697 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.547 11.495 -13.497 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.238 14.201 -11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.632 13.308 -12.815 1.00 0.00 H new ATOM 281 N LYS A 16 9.147 15.240 -7.438 1.00 0.00 N ATOM 282 CA LYS A 16 9.346 16.240 -6.365 1.00 0.00 C ATOM 283 C LYS A 16 8.222 16.234 -5.295 1.00 0.00 C ATOM 284 O LYS A 16 7.899 17.268 -4.702 1.00 0.00 O ATOM 285 CB LYS A 16 9.632 17.641 -6.960 1.00 0.00 C ATOM 286 CG LYS A 16 10.854 17.658 -7.899 1.00 0.00 C ATOM 287 CD LYS A 16 11.148 19.050 -8.478 1.00 0.00 C ATOM 288 CE LYS A 16 11.574 20.056 -7.398 1.00 0.00 C ATOM 289 NZ LYS A 16 11.919 21.379 -7.983 1.00 0.00 N ATOM 0 H LYS A 16 9.878 14.529 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 16 10.236 15.943 -5.811 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.754 17.983 -7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.795 18.349 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.729 17.306 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.686 16.958 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.936 18.970 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.260 19.423 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.767 20.177 -6.675 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.433 19.664 -6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.202 22.031 -7.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.706 21.267 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.091 21.765 -8.481 1.00 0.00 H new ATOM 303 N MET A 17 7.621 15.065 -5.049 1.00 0.00 N ATOM 304 CA MET A 17 6.551 14.811 -4.067 1.00 0.00 C ATOM 305 C MET A 17 7.003 13.806 -2.989 1.00 0.00 C ATOM 306 O MET A 17 8.058 13.177 -3.116 1.00 0.00 O ATOM 307 CB MET A 17 5.307 14.272 -4.801 1.00 0.00 C ATOM 308 CG MET A 17 4.747 15.263 -5.828 1.00 0.00 C ATOM 309 SD MET A 17 3.147 14.803 -6.547 1.00 0.00 S ATOM 310 CE MET A 17 3.552 13.187 -7.257 1.00 0.00 C ATOM 0 H MET A 17 7.880 14.219 -5.557 1.00 0.00 H new ATOM 0 HA MET A 17 6.311 15.749 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.563 13.340 -5.305 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.533 14.037 -4.070 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.647 16.238 -5.352 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.472 15.375 -6.635 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.701 12.817 -7.829 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.416 13.285 -7.914 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.783 12.485 -6.456 1.00 0.00 H new ATOM 320 N THR A 18 6.154 13.604 -1.971 1.00 0.00 N ATOM 321 CA THR A 18 6.331 12.635 -0.871 1.00 0.00 C ATOM 322 C THR A 18 4.962 12.037 -0.506 1.00 0.00 C ATOM 323 O THR A 18 4.017 12.818 -0.353 1.00 0.00 O ATOM 324 CB THR A 18 6.953 13.324 0.358 1.00 0.00 C ATOM 325 OG1 THR A 18 8.119 14.025 -0.021 1.00 0.00 O ATOM 326 CG2 THR A 18 7.364 12.319 1.436 1.00 0.00 C ATOM 0 H THR A 18 5.286 14.133 -1.885 1.00 0.00 H new ATOM 0 HA THR A 18 7.004 11.841 -1.194 1.00 0.00 H new ATOM 0 HB THR A 18 6.192 13.994 0.757 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.508 14.462 0.765 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.797 12.851 2.283 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.488 11.762 1.767 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.100 11.627 1.027 1.00 0.00 H new ATOM 334 N PRO A 19 4.817 10.702 -0.362 1.00 0.00 N ATOM 335 CA PRO A 19 3.568 10.076 0.063 1.00 0.00 C ATOM 336 C PRO A 19 3.368 10.221 1.579 1.00 0.00 C ATOM 337 O PRO A 19 4.333 10.309 2.341 1.00 0.00 O ATOM 338 CB PRO A 19 3.691 8.608 -0.356 1.00 0.00 C ATOM 339 CG PRO A 19 5.188 8.342 -0.213 1.00 0.00 C ATOM 340 CD PRO A 19 5.826 9.677 -0.603 1.00 0.00 C ATOM 0 HA PRO A 19 2.697 10.547 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.100 7.953 0.285 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.347 8.448 -1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.449 8.054 0.805 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.516 7.534 -0.867 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.721 9.867 -0.011 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.131 9.671 -1.649 1.00 0.00 H new ATOM 348 N ALA A 20 2.107 10.219 2.016 1.00 0.00 N ATOM 349 CA ALA A 20 1.709 10.376 3.415 1.00 0.00 C ATOM 350 C ALA A 20 0.758 9.246 3.842 1.00 0.00 C ATOM 351 O ALA A 20 -0.343 9.116 3.305 1.00 0.00 O ATOM 352 CB ALA A 20 1.073 11.762 3.587 1.00 0.00 C ATOM 0 H ALA A 20 1.312 10.105 1.387 1.00 0.00 H new ATOM 0 HA ALA A 20 2.582 10.306 4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.770 11.897 4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.797 12.531 3.318 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.199 11.844 2.940 1.00 0.00 H new ATOM 358 N TYR A 21 1.195 8.443 4.816 1.00 0.00 N ATOM 359 CA TYR A 21 0.487 7.261 5.329 1.00 0.00 C ATOM 360 C TYR A 21 -0.204 7.528 6.685 1.00 0.00 C ATOM 361 O TYR A 21 0.227 8.386 7.463 1.00 0.00 O ATOM 362 CB TYR A 21 1.479 6.089 5.473 1.00 0.00 C ATOM 363 CG TYR A 21 2.092 5.567 4.183 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.218 6.202 3.622 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.558 4.422 3.558 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.788 5.717 2.429 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.129 3.924 2.371 1.00 0.00 C ATOM 368 CZ TYR A 21 3.237 4.583 1.792 1.00 0.00 C ATOM 369 OH TYR A 21 3.764 4.130 0.621 1.00 0.00 O ATOM 0 H TYR A 21 2.085 8.602 5.288 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.295 7.011 4.612 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.287 6.403 6.134 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.966 5.264 5.967 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.646 7.065 4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.705 3.923 3.993 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.647 6.212 2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.721 3.040 1.904 1.00 0.00 H new ATOM 0 HH TYR A 21 4.644 4.537 0.479 1.00 0.00 H new ATOM 379 N GLU A 22 -1.235 6.742 6.996 1.00 0.00 N ATOM 380 CA GLU A 22 -1.952 6.712 8.276 1.00 0.00 C ATOM 381 C GLU A 22 -2.353 5.263 8.599 1.00 0.00 C ATOM 382 O GLU A 22 -2.619 4.477 7.690 1.00 0.00 O ATOM 383 CB GLU A 22 -3.166 7.656 8.204 1.00 0.00 C ATOM 384 CG GLU A 22 -3.867 7.825 9.559 1.00 0.00 C ATOM 385 CD GLU A 22 -4.932 8.930 9.499 1.00 0.00 C ATOM 386 OE1 GLU A 22 -4.589 10.117 9.714 1.00 0.00 O ATOM 387 OE2 GLU A 22 -6.122 8.620 9.253 1.00 0.00 O ATOM 0 H GLU A 22 -1.615 6.072 6.327 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.312 7.064 9.085 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.841 8.632 7.844 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.879 7.269 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.332 6.883 9.851 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.130 8.067 10.325 1.00 0.00 H new ATOM 394 N ILE A 23 -2.357 4.881 9.882 1.00 0.00 N ATOM 395 CA ILE A 23 -2.501 3.487 10.356 1.00 0.00 C ATOM 396 C ILE A 23 -3.533 3.400 11.496 1.00 0.00 C ATOM 397 O ILE A 23 -3.672 4.335 12.289 1.00 0.00 O ATOM 398 CB ILE A 23 -1.106 2.931 10.761 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.222 2.780 9.497 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.184 1.590 11.524 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.197 2.266 9.757 1.00 0.00 C ATOM 0 H ILE A 23 -2.258 5.549 10.647 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.885 2.861 9.550 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.660 3.650 11.449 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.718 2.099 8.805 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.156 3.748 9.000 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.178 1.257 11.777 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.763 1.724 12.438 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.667 0.841 10.896 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.737 2.194 8.813 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.718 2.956 10.421 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.148 1.282 10.222 1.00 0.00 H new ATOM 413 N ARG A 24 -4.237 2.262 11.581 1.00 0.00 N ATOM 414 CA ARG A 24 -5.285 1.969 12.571 1.00 0.00 C ATOM 415 C ARG A 24 -5.234 0.498 12.992 1.00 0.00 C ATOM 416 O ARG A 24 -5.133 -0.391 12.149 1.00 0.00 O ATOM 417 CB ARG A 24 -6.644 2.310 11.945 1.00 0.00 C ATOM 418 CG ARG A 24 -7.832 2.286 12.920 1.00 0.00 C ATOM 419 CD ARG A 24 -9.168 2.546 12.202 1.00 0.00 C ATOM 420 NE ARG A 24 -9.203 3.870 11.547 1.00 0.00 N ATOM 421 CZ ARG A 24 -9.009 4.136 10.257 1.00 0.00 C ATOM 422 NH1 ARG A 24 -8.833 3.212 9.341 1.00 0.00 N ATOM 423 NH2 ARG A 24 -8.969 5.374 9.826 1.00 0.00 N ATOM 0 H ARG A 24 -4.086 1.488 10.935 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.129 2.569 13.467 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.582 3.301 11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.842 1.606 11.137 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.871 1.319 13.421 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.683 3.040 13.693 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.334 1.769 11.456 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.984 2.477 12.921 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.397 4.669 12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.840 2.226 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.689 3.480 8.367 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.087 6.146 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.820 5.564 8.835 1.00 0.00 H new ATOM 437 N ALA A 25 -5.320 0.232 14.291 1.00 0.00 N ATOM 438 CA ALA A 25 -5.311 -1.123 14.860 1.00 0.00 C ATOM 439 C ALA A 25 -6.736 -1.703 14.935 1.00 0.00 C ATOM 440 O ALA A 25 -7.673 -0.993 15.305 1.00 0.00 O ATOM 441 CB ALA A 25 -4.640 -1.074 16.238 1.00 0.00 C ATOM 0 H ALA A 25 -5.400 0.963 14.998 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.741 -1.790 14.213 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.627 -2.074 16.672 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.618 -0.711 16.132 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.198 -0.403 16.891 1.00 0.00 H new ATOM 447 N VAL A 26 -6.896 -2.985 14.599 1.00 0.00 N ATOM 448 CA VAL A 26 -8.189 -3.695 14.501 1.00 0.00 C ATOM 449 C VAL A 26 -8.051 -5.174 14.903 1.00 0.00 C ATOM 450 O VAL A 26 -6.939 -5.685 15.047 1.00 0.00 O ATOM 451 CB VAL A 26 -8.815 -3.575 13.084 1.00 0.00 C ATOM 452 CG1 VAL A 26 -9.221 -2.134 12.738 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.903 -4.128 11.974 1.00 0.00 C ATOM 0 H VAL A 26 -6.103 -3.587 14.378 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.865 -3.209 15.205 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.713 -4.191 13.126 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.653 -2.108 11.737 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.957 -1.780 13.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.342 -1.490 12.771 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.396 -4.016 11.008 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.963 -3.577 11.968 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.704 -5.184 12.159 1.00 0.00 H new ATOM 463 N GLY A 27 -9.182 -5.865 15.083 1.00 0.00 N ATOM 464 CA GLY A 27 -9.236 -7.300 15.393 1.00 0.00 C ATOM 465 C GLY A 27 -9.086 -7.621 16.885 1.00 0.00 C ATOM 466 O GLY A 27 -9.257 -6.762 17.751 1.00 0.00 O ATOM 0 H GLY A 27 -10.104 -5.435 15.016 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.185 -7.702 15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.447 -7.811 14.841 1.00 0.00 H new ATOM 470 N ASN A 28 -8.787 -8.888 17.176 1.00 0.00 N ATOM 471 CA ASN A 28 -8.615 -9.419 18.534 1.00 0.00 C ATOM 472 C ASN A 28 -7.379 -8.825 19.248 1.00 0.00 C ATOM 473 O ASN A 28 -6.355 -8.555 18.623 1.00 0.00 O ATOM 474 CB ASN A 28 -8.546 -10.952 18.425 1.00 0.00 C ATOM 475 CG ASN A 28 -8.282 -11.634 19.762 1.00 0.00 C ATOM 476 OD1 ASN A 28 -7.138 -11.844 20.145 1.00 0.00 O ATOM 477 ND2 ASN A 28 -9.311 -11.968 20.515 1.00 0.00 N ATOM 0 H ASN A 28 -8.653 -9.596 16.454 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.462 -9.127 19.156 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.484 -11.324 18.013 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.759 -11.225 17.722 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.157 -12.405 21.424 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.261 -11.790 20.189 1.00 0.00 H new ATOM 484 N LYS A 29 -7.458 -8.647 20.573 1.00 0.00 N ATOM 485 CA LYS A 29 -6.401 -8.035 21.398 1.00 0.00 C ATOM 486 C LYS A 29 -5.037 -8.755 21.305 1.00 0.00 C ATOM 487 O LYS A 29 -3.999 -8.099 21.218 1.00 0.00 O ATOM 488 CB LYS A 29 -6.924 -7.982 22.848 1.00 0.00 C ATOM 489 CG LYS A 29 -5.971 -7.348 23.877 1.00 0.00 C ATOM 490 CD LYS A 29 -5.688 -5.859 23.611 1.00 0.00 C ATOM 491 CE LYS A 29 -4.767 -5.238 24.674 1.00 0.00 C ATOM 492 NZ LYS A 29 -5.427 -5.104 26.001 1.00 0.00 N ATOM 0 H LYS A 29 -8.274 -8.929 21.115 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.196 -7.034 21.019 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.861 -7.426 22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.153 -8.998 23.170 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.400 -7.456 24.873 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.029 -7.896 23.874 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.230 -5.749 22.628 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.630 -5.312 23.586 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.873 -5.853 24.778 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.440 -4.255 24.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.767 -4.665 26.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.275 -4.509 25.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.701 -6.045 26.349 1.00 0.00 H new ATOM 506 N ASN A 30 -5.038 -10.092 21.288 1.00 0.00 N ATOM 507 CA ASN A 30 -3.836 -10.921 21.125 1.00 0.00 C ATOM 508 C ASN A 30 -3.499 -11.151 19.637 1.00 0.00 C ATOM 509 O ASN A 30 -2.377 -10.876 19.205 1.00 0.00 O ATOM 510 CB ASN A 30 -4.042 -12.241 21.886 1.00 0.00 C ATOM 511 CG ASN A 30 -2.818 -13.149 21.801 1.00 0.00 C ATOM 512 OD1 ASN A 30 -2.654 -13.910 20.855 1.00 0.00 O ATOM 513 ND2 ASN A 30 -1.924 -13.090 22.774 1.00 0.00 N ATOM 0 H ASN A 30 -5.892 -10.641 21.389 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.975 -10.401 21.546 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.261 -12.026 22.932 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.909 -12.762 21.479 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.093 -13.680 22.739 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.066 -12.454 23.559 1.00 0.00 H new ATOM 520 N ARG A 31 -4.483 -11.584 18.837 1.00 0.00 N ATOM 521 CA ARG A 31 -4.364 -11.812 17.387 1.00 0.00 C ATOM 522 C ARG A 31 -4.708 -10.525 16.618 1.00 0.00 C ATOM 523 O ARG A 31 -5.709 -10.443 15.903 1.00 0.00 O ATOM 524 CB ARG A 31 -5.210 -13.029 16.961 1.00 0.00 C ATOM 525 CG ARG A 31 -4.732 -14.333 17.627 1.00 0.00 C ATOM 526 CD ARG A 31 -5.557 -15.550 17.190 1.00 0.00 C ATOM 527 NE ARG A 31 -5.334 -15.895 15.773 1.00 0.00 N ATOM 528 CZ ARG A 31 -6.022 -16.781 15.060 1.00 0.00 C ATOM 529 NH1 ARG A 31 -7.022 -17.467 15.574 1.00 0.00 N ATOM 530 NH2 ARG A 31 -5.706 -16.991 13.801 1.00 0.00 N ATOM 0 H ARG A 31 -5.416 -11.793 19.192 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.332 -12.057 17.135 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.254 -12.852 17.220 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.165 -13.139 15.877 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.684 -14.501 17.380 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.791 -14.227 18.710 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.299 -16.405 17.815 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.616 -15.346 17.350 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.578 -15.406 15.294 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.290 -17.326 16.548 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.529 -18.139 14.998 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.936 -16.475 13.376 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.231 -17.670 13.250 1.00 0.00 H new ATOM 544 N GLN A 32 -3.896 -9.491 16.840 1.00 0.00 N ATOM 545 CA GLN A 32 -4.134 -8.122 16.379 1.00 0.00 C ATOM 546 C GLN A 32 -3.758 -7.938 14.899 1.00 0.00 C ATOM 547 O GLN A 32 -2.870 -8.610 14.371 1.00 0.00 O ATOM 548 CB GLN A 32 -3.373 -7.158 17.310 1.00 0.00 C ATOM 549 CG GLN A 32 -3.740 -5.678 17.103 1.00 0.00 C ATOM 550 CD GLN A 32 -3.143 -4.779 18.191 1.00 0.00 C ATOM 551 OE1 GLN A 32 -1.950 -4.789 18.468 1.00 0.00 O ATOM 552 NE2 GLN A 32 -3.944 -3.973 18.861 1.00 0.00 N ATOM 0 H GLN A 32 -3.025 -9.586 17.363 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.199 -7.897 16.430 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.575 -7.432 18.345 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.302 -7.283 17.151 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.384 -5.350 16.126 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.825 -5.571 17.100 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.941 -3.950 18.646 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.567 -3.373 19.595 1.00 0.00 H new ATOM 561 N LYS A 33 -4.442 -7.001 14.239 1.00 0.00 N ATOM 562 CA LYS A 33 -4.283 -6.633 12.829 1.00 0.00 C ATOM 563 C LYS A 33 -4.240 -5.102 12.664 1.00 0.00 C ATOM 564 O LYS A 33 -4.671 -4.353 13.550 1.00 0.00 O ATOM 565 CB LYS A 33 -5.440 -7.251 12.018 1.00 0.00 C ATOM 566 CG LYS A 33 -5.306 -8.773 11.859 1.00 0.00 C ATOM 567 CD LYS A 33 -6.458 -9.344 11.023 1.00 0.00 C ATOM 568 CE LYS A 33 -6.308 -10.867 10.900 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.416 -11.470 10.113 1.00 0.00 N ATOM 0 H LYS A 33 -5.163 -6.446 14.700 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.337 -7.023 12.454 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.385 -7.023 12.510 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.474 -6.788 11.032 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.355 -9.010 11.383 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.297 -9.245 12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.413 -9.100 11.489 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.461 -8.889 10.033 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.355 -11.101 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.285 -11.311 11.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.279 -12.499 10.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.323 -11.268 10.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.422 -11.065 9.155 1.00 0.00 H new ATOM 583 N PHE A 34 -3.738 -4.632 11.523 1.00 0.00 N ATOM 584 CA PHE A 34 -3.513 -3.220 11.228 1.00 0.00 C ATOM 585 C PHE A 34 -4.003 -2.867 9.824 1.00 0.00 C ATOM 586 O PHE A 34 -3.602 -3.486 8.838 1.00 0.00 O ATOM 587 CB PHE A 34 -2.019 -2.888 11.382 1.00 0.00 C ATOM 588 CG PHE A 34 -1.496 -3.073 12.791 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.673 -2.058 13.750 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.864 -4.277 13.157 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.220 -2.247 15.067 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.411 -4.465 14.474 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.589 -3.450 15.429 1.00 0.00 C ATOM 0 H PHE A 34 -3.468 -5.245 10.754 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.084 -2.621 11.937 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.444 -3.519 10.705 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.852 -1.856 11.075 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.157 -1.133 13.474 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.727 -5.058 12.424 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.357 -1.467 15.802 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.074 -5.389 14.752 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.241 -3.594 16.441 1.00 0.00 H new ATOM 603 N MET A 35 -4.844 -1.836 9.751 1.00 0.00 N ATOM 604 CA MET A 35 -5.260 -1.167 8.519 1.00 0.00 C ATOM 605 C MET A 35 -4.311 -0.001 8.231 1.00 0.00 C ATOM 606 O MET A 35 -3.733 0.583 9.153 1.00 0.00 O ATOM 607 CB MET A 35 -6.692 -0.624 8.639 1.00 0.00 C ATOM 608 CG MET A 35 -7.714 -1.669 9.091 1.00 0.00 C ATOM 609 SD MET A 35 -9.433 -1.096 9.046 1.00 0.00 S ATOM 610 CE MET A 35 -9.721 -1.150 7.258 1.00 0.00 C ATOM 0 H MET A 35 -5.271 -1.428 10.582 1.00 0.00 H new ATOM 0 HA MET A 35 -5.229 -1.895 7.708 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.698 0.205 9.346 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.000 -0.222 7.674 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.620 -2.551 8.457 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.473 -1.980 10.107 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.080 -0.179 6.918 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.789 -1.392 6.747 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.467 -1.912 7.033 1.00 0.00 H new ATOM 620 N CYS A 36 -4.198 0.384 6.964 1.00 0.00 N ATOM 621 CA CYS A 36 -3.413 1.531 6.523 1.00 0.00 C ATOM 622 C CYS A 36 -4.094 2.253 5.354 1.00 0.00 C ATOM 623 O CYS A 36 -4.768 1.633 4.530 1.00 0.00 O ATOM 624 CB CYS A 36 -1.996 1.047 6.194 1.00 0.00 C ATOM 625 SG CYS A 36 -0.926 2.466 5.837 1.00 0.00 S ATOM 0 H CYS A 36 -4.661 -0.105 6.197 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.345 2.274 7.317 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.593 0.478 7.032 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.022 0.375 5.336 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.352 3.506 6.490 1.00 0.00 H new ATOM 631 N GLU A 37 -3.908 3.565 5.296 1.00 0.00 N ATOM 632 CA GLU A 37 -4.438 4.474 4.287 1.00 0.00 C ATOM 633 C GLU A 37 -3.294 5.385 3.816 1.00 0.00 C ATOM 634 O GLU A 37 -2.469 5.796 4.634 1.00 0.00 O ATOM 635 CB GLU A 37 -5.589 5.305 4.886 1.00 0.00 C ATOM 636 CG GLU A 37 -6.788 4.450 5.334 1.00 0.00 C ATOM 637 CD GLU A 37 -7.888 5.282 6.009 1.00 0.00 C ATOM 638 OE1 GLU A 37 -8.328 6.310 5.441 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.331 4.894 7.117 1.00 0.00 O ATOM 0 H GLU A 37 -3.349 4.053 5.995 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.834 3.916 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.214 5.869 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.926 6.032 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.206 3.936 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.443 3.681 6.026 1.00 0.00 H new ATOM 646 N VAL A 38 -3.225 5.703 2.520 1.00 0.00 N ATOM 647 CA VAL A 38 -2.153 6.531 1.930 1.00 0.00 C ATOM 648 C VAL A 38 -2.693 7.520 0.896 1.00 0.00 C ATOM 649 O VAL A 38 -3.616 7.207 0.143 1.00 0.00 O ATOM 650 CB VAL A 38 -1.009 5.664 1.344 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.414 4.917 0.067 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.253 6.488 1.031 1.00 0.00 C ATOM 0 H VAL A 38 -3.917 5.392 1.838 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.729 7.119 2.744 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.792 4.939 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.570 4.329 -0.293 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.252 4.255 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.708 5.636 -0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.023 5.833 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.011 7.261 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.620 6.954 1.946 1.00 0.00 H new ATOM 662 N ARG A 39 -2.084 8.710 0.864 1.00 0.00 N ATOM 663 CA ARG A 39 -2.356 9.795 -0.084 1.00 0.00 C ATOM 664 C ARG A 39 -1.050 10.447 -0.572 1.00 0.00 C ATOM 665 O ARG A 39 0.014 10.255 0.017 1.00 0.00 O ATOM 666 CB ARG A 39 -3.272 10.849 0.571 1.00 0.00 C ATOM 667 CG ARG A 39 -4.666 10.295 0.913 1.00 0.00 C ATOM 668 CD ARG A 39 -5.662 11.399 1.286 1.00 0.00 C ATOM 669 NE ARG A 39 -5.968 12.267 0.133 1.00 0.00 N ATOM 670 CZ ARG A 39 -6.470 13.495 0.188 1.00 0.00 C ATOM 671 NH1 ARG A 39 -6.887 14.032 1.316 1.00 0.00 N ATOM 672 NH2 ARG A 39 -6.551 14.214 -0.909 1.00 0.00 N ATOM 0 H ARG A 39 -1.352 8.954 1.531 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.863 9.373 -0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.800 11.220 1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.379 11.700 -0.102 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.051 9.736 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.581 9.592 1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.583 10.949 1.658 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.252 12.001 2.097 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.776 11.888 -0.794 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.830 13.501 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.267 14.979 1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.229 13.828 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.936 15.158 -0.873 1.00 0.00 H new ATOM 686 N VAL A 40 -1.150 11.246 -1.632 1.00 0.00 N ATOM 687 CA VAL A 40 -0.071 12.072 -2.207 1.00 0.00 C ATOM 688 C VAL A 40 -0.652 13.459 -2.505 1.00 0.00 C ATOM 689 O VAL A 40 -1.794 13.564 -2.956 1.00 0.00 O ATOM 690 CB VAL A 40 0.519 11.432 -3.491 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.653 12.285 -4.084 1.00 0.00 C ATOM 692 CG2 VAL A 40 1.076 10.021 -3.234 1.00 0.00 C ATOM 0 H VAL A 40 -2.026 11.346 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 40 0.751 12.148 -1.495 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.311 11.374 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.040 11.803 -4.982 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.270 13.273 -4.339 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.454 12.385 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.478 9.614 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.868 10.073 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.277 9.375 -2.871 1.00 0.00 H new ATOM 702 N GLU A 41 0.113 14.517 -2.220 1.00 0.00 N ATOM 703 CA GLU A 41 -0.318 15.910 -2.389 1.00 0.00 C ATOM 704 C GLU A 41 -0.741 16.207 -3.841 1.00 0.00 C ATOM 705 O GLU A 41 0.001 15.934 -4.788 1.00 0.00 O ATOM 706 CB GLU A 41 0.807 16.851 -1.922 1.00 0.00 C ATOM 707 CG GLU A 41 0.365 18.321 -1.892 1.00 0.00 C ATOM 708 CD GLU A 41 1.470 19.219 -1.316 1.00 0.00 C ATOM 709 OE1 GLU A 41 1.500 19.431 -0.079 1.00 0.00 O ATOM 710 OE2 GLU A 41 2.311 19.728 -2.094 1.00 0.00 O ATOM 0 H GLU A 41 1.063 14.430 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.201 16.081 -1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.137 16.553 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.665 16.746 -2.587 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.114 18.649 -2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.539 18.420 -1.291 1.00 0.00 H new ATOM 717 N GLY A 42 -1.947 16.764 -4.011 1.00 0.00 N ATOM 718 CA GLY A 42 -2.536 17.105 -5.315 1.00 0.00 C ATOM 719 C GLY A 42 -3.465 16.035 -5.906 1.00 0.00 C ATOM 720 O GLY A 42 -4.034 16.269 -6.973 1.00 0.00 O ATOM 0 H GLY A 42 -2.556 16.996 -3.227 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.096 18.034 -5.212 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.729 17.296 -6.023 1.00 0.00 H new ATOM 724 N PHE A 43 -3.657 14.897 -5.224 1.00 0.00 N ATOM 725 CA PHE A 43 -4.548 13.808 -5.643 1.00 0.00 C ATOM 726 C PHE A 43 -5.678 13.602 -4.622 1.00 0.00 C ATOM 727 O PHE A 43 -5.432 13.430 -3.427 1.00 0.00 O ATOM 728 CB PHE A 43 -3.728 12.523 -5.842 1.00 0.00 C ATOM 729 CG PHE A 43 -2.662 12.628 -6.918 1.00 0.00 C ATOM 730 CD1 PHE A 43 -2.980 12.369 -8.266 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.353 13.020 -6.578 1.00 0.00 C ATOM 732 CE1 PHE A 43 -1.994 12.489 -9.262 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.372 13.147 -7.574 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.688 12.878 -8.917 1.00 0.00 C ATOM 0 H PHE A 43 -3.183 14.704 -4.341 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.016 14.072 -6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.251 12.259 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.406 11.708 -6.096 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.984 12.077 -8.535 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.103 13.224 -5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.241 12.282 -10.293 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.629 13.452 -7.308 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.070 12.970 -9.681 1.00 0.00 H new ATOM 744 N ASN A 44 -6.929 13.614 -5.095 1.00 0.00 N ATOM 745 CA ASN A 44 -8.131 13.491 -4.256 1.00 0.00 C ATOM 746 C ASN A 44 -8.352 12.063 -3.702 1.00 0.00 C ATOM 747 O ASN A 44 -8.996 11.888 -2.666 1.00 0.00 O ATOM 748 CB ASN A 44 -9.335 13.967 -5.087 1.00 0.00 C ATOM 749 CG ASN A 44 -10.636 13.984 -4.288 1.00 0.00 C ATOM 750 OD1 ASN A 44 -11.464 13.088 -4.394 1.00 0.00 O ATOM 751 ND2 ASN A 44 -10.856 15.002 -3.474 1.00 0.00 N ATOM 0 H ASN A 44 -7.141 13.711 -6.088 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.004 14.114 -3.371 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.135 14.969 -5.468 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.454 13.315 -5.952 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.718 15.044 -2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.163 15.746 -3.389 1.00 0.00 H new ATOM 758 N TYR A 45 -7.795 11.045 -4.365 1.00 0.00 N ATOM 759 CA TYR A 45 -7.905 9.633 -3.986 1.00 0.00 C ATOM 760 C TYR A 45 -7.147 9.278 -2.690 1.00 0.00 C ATOM 761 O TYR A 45 -6.199 9.966 -2.297 1.00 0.00 O ATOM 762 CB TYR A 45 -7.413 8.782 -5.167 1.00 0.00 C ATOM 763 CG TYR A 45 -7.695 7.299 -5.034 1.00 0.00 C ATOM 764 CD1 TYR A 45 -8.999 6.818 -5.260 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.671 6.402 -4.669 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.282 5.445 -5.132 1.00 0.00 C ATOM 767 CE2 TYR A 45 -6.947 5.029 -4.533 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.255 4.544 -4.769 1.00 0.00 C ATOM 769 OH TYR A 45 -8.517 3.213 -4.665 1.00 0.00 O ATOM 0 H TYR A 45 -7.237 11.186 -5.207 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.951 9.422 -3.765 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.881 9.147 -6.081 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.338 8.926 -5.279 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.786 7.506 -5.533 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.671 6.770 -4.493 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.283 5.080 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.161 4.346 -4.249 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.699 2.738 -4.408 1.00 0.00 H new ATOM 779 N ALA A 46 -7.552 8.177 -2.047 1.00 0.00 N ATOM 780 CA ALA A 46 -6.848 7.543 -0.934 1.00 0.00 C ATOM 781 C ALA A 46 -6.807 6.015 -1.130 1.00 0.00 C ATOM 782 O ALA A 46 -7.853 5.367 -1.197 1.00 0.00 O ATOM 783 CB ALA A 46 -7.531 7.946 0.381 1.00 0.00 C ATOM 0 H ALA A 46 -8.411 7.688 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.813 7.883 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.013 7.478 1.218 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.495 9.030 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.570 7.617 0.367 1.00 0.00 H new ATOM 789 N GLY A 47 -5.596 5.454 -1.216 1.00 0.00 N ATOM 790 CA GLY A 47 -5.353 4.011 -1.332 1.00 0.00 C ATOM 791 C GLY A 47 -5.345 3.364 0.047 1.00 0.00 C ATOM 792 O GLY A 47 -4.897 3.989 1.012 1.00 0.00 O ATOM 0 H GLY A 47 -4.737 6.004 -1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.125 3.554 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.399 3.835 -1.830 1.00 0.00 H new ATOM 796 N MET A 48 -5.839 2.130 0.152 1.00 0.00 N ATOM 797 CA MET A 48 -6.110 1.461 1.433 1.00 0.00 C ATOM 798 C MET A 48 -5.677 -0.011 1.439 1.00 0.00 C ATOM 799 O MET A 48 -5.817 -0.721 0.441 1.00 0.00 O ATOM 800 CB MET A 48 -7.606 1.577 1.776 1.00 0.00 C ATOM 801 CG MET A 48 -8.116 3.023 1.745 1.00 0.00 C ATOM 802 SD MET A 48 -9.770 3.250 2.439 1.00 0.00 S ATOM 803 CE MET A 48 -9.925 5.032 2.161 1.00 0.00 C ATOM 0 H MET A 48 -6.067 1.556 -0.660 1.00 0.00 H new ATOM 0 HA MET A 48 -5.514 1.967 2.193 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.183 0.979 1.071 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.780 1.157 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.416 3.654 2.293 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.118 3.372 0.712 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.893 5.374 2.526 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.131 5.554 2.694 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.845 5.242 1.094 1.00 0.00 H new ATOM 813 N GLY A 49 -5.147 -0.462 2.579 1.00 0.00 N ATOM 814 CA GLY A 49 -4.666 -1.826 2.819 1.00 0.00 C ATOM 815 C GLY A 49 -4.901 -2.306 4.251 1.00 0.00 C ATOM 816 O GLY A 49 -5.252 -1.523 5.131 1.00 0.00 O ATOM 0 H GLY A 49 -5.036 0.139 3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.164 -2.506 2.129 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.600 -1.872 2.598 1.00 0.00 H new ATOM 820 N ASN A 50 -4.678 -3.599 4.489 1.00 0.00 N ATOM 821 CA ASN A 50 -4.764 -4.231 5.810 1.00 0.00 C ATOM 822 C ASN A 50 -3.949 -5.531 5.858 1.00 0.00 C ATOM 823 O ASN A 50 -3.811 -6.232 4.855 1.00 0.00 O ATOM 824 CB ASN A 50 -6.240 -4.457 6.179 1.00 0.00 C ATOM 825 CG ASN A 50 -6.447 -5.343 7.404 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.338 -4.910 8.542 1.00 0.00 O ATOM 827 ND2 ASN A 50 -6.735 -6.615 7.195 1.00 0.00 N ATOM 0 H ASN A 50 -4.426 -4.255 3.750 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.326 -3.565 6.554 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.710 -3.490 6.359 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.751 -4.907 5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.868 -7.244 7.986 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.824 -6.968 6.242 1.00 0.00 H new ATOM 834 N SER A 51 -3.432 -5.856 7.039 1.00 0.00 N ATOM 835 CA SER A 51 -2.605 -7.046 7.297 1.00 0.00 C ATOM 836 C SER A 51 -2.434 -7.332 8.803 1.00 0.00 C ATOM 837 O SER A 51 -3.006 -6.637 9.647 1.00 0.00 O ATOM 838 CB SER A 51 -1.241 -6.889 6.600 1.00 0.00 C ATOM 839 OG SER A 51 -0.605 -8.148 6.471 1.00 0.00 O ATOM 0 H SER A 51 -3.577 -5.286 7.872 1.00 0.00 H new ATOM 0 HA SER A 51 -3.123 -7.910 6.882 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.378 -6.441 5.616 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.608 -6.212 7.173 1.00 0.00 H new ATOM 0 HG SER A 51 -0.310 -8.272 5.545 1.00 0.00 H new ATOM 845 N THR A 52 -1.626 -8.340 9.157 1.00 0.00 N ATOM 846 CA THR A 52 -1.237 -8.684 10.539 1.00 0.00 C ATOM 847 C THR A 52 -0.196 -7.733 11.129 1.00 0.00 C ATOM 848 O THR A 52 0.086 -7.795 12.325 1.00 0.00 O ATOM 849 CB THR A 52 -0.688 -10.115 10.594 1.00 0.00 C ATOM 850 OG1 THR A 52 0.391 -10.226 9.685 1.00 0.00 O ATOM 851 CG2 THR A 52 -1.761 -11.145 10.231 1.00 0.00 C ATOM 0 H THR A 52 -1.208 -8.964 8.467 1.00 0.00 H new ATOM 0 HA THR A 52 -2.142 -8.593 11.139 1.00 0.00 H new ATOM 0 HB THR A 52 -0.358 -10.317 11.613 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.751 -11.137 9.714 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.335 -12.147 10.281 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.591 -11.068 10.933 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.122 -10.954 9.220 1.00 0.00 H new ATOM 859 N ASN A 53 0.382 -6.860 10.301 1.00 0.00 N ATOM 860 CA ASN A 53 1.525 -6.011 10.628 1.00 0.00 C ATOM 861 C ASN A 53 1.516 -4.702 9.819 1.00 0.00 C ATOM 862 O ASN A 53 1.030 -4.649 8.686 1.00 0.00 O ATOM 863 CB ASN A 53 2.821 -6.813 10.413 1.00 0.00 C ATOM 864 CG ASN A 53 3.066 -7.133 8.942 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.717 -6.373 8.236 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.541 -8.236 8.438 1.00 0.00 N ATOM 0 H ASN A 53 0.052 -6.721 9.346 1.00 0.00 H new ATOM 0 HA ASN A 53 1.462 -5.715 11.675 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.666 -6.246 10.805 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.769 -7.742 10.981 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.676 -8.461 7.452 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.000 -8.862 9.035 1.00 0.00 H new ATOM 873 N LYS A 54 2.078 -3.639 10.398 1.00 0.00 N ATOM 874 CA LYS A 54 2.065 -2.282 9.828 1.00 0.00 C ATOM 875 C LYS A 54 2.830 -2.164 8.493 1.00 0.00 C ATOM 876 O LYS A 54 2.411 -1.430 7.598 1.00 0.00 O ATOM 877 CB LYS A 54 2.636 -1.316 10.882 1.00 0.00 C ATOM 878 CG LYS A 54 1.727 -1.204 12.118 1.00 0.00 C ATOM 879 CD LYS A 54 2.276 -0.173 13.113 1.00 0.00 C ATOM 880 CE LYS A 54 1.369 -0.101 14.348 1.00 0.00 C ATOM 881 NZ LYS A 54 1.884 0.864 15.356 1.00 0.00 N ATOM 0 H LYS A 54 2.565 -3.694 11.293 1.00 0.00 H new ATOM 0 HA LYS A 54 1.034 -2.025 9.584 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.624 -1.658 11.189 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.765 -0.329 10.437 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.722 -0.917 11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.646 -2.176 12.604 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.288 -0.446 13.411 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.336 0.806 12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.364 0.192 14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.290 -1.090 14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.244 0.884 16.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.833 0.570 15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.936 1.813 14.933 1.00 0.00 H new ATOM 895 N LYS A 55 3.918 -2.924 8.329 1.00 0.00 N ATOM 896 CA LYS A 55 4.785 -2.902 7.139 1.00 0.00 C ATOM 897 C LYS A 55 4.044 -3.381 5.877 1.00 0.00 C ATOM 898 O LYS A 55 4.030 -2.702 4.848 1.00 0.00 O ATOM 899 CB LYS A 55 6.011 -3.784 7.448 1.00 0.00 C ATOM 900 CG LYS A 55 7.216 -3.550 6.525 1.00 0.00 C ATOM 901 CD LYS A 55 8.081 -2.366 6.983 1.00 0.00 C ATOM 902 CE LYS A 55 9.359 -2.289 6.136 1.00 0.00 C ATOM 903 NZ LYS A 55 10.327 -1.297 6.674 1.00 0.00 N ATOM 0 H LYS A 55 4.231 -3.589 9.036 1.00 0.00 H new ATOM 0 HA LYS A 55 5.098 -1.880 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.319 -3.607 8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.715 -4.831 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.827 -4.452 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.863 -3.368 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.518 -1.437 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.339 -2.480 8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.830 -3.272 6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.099 -2.023 5.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.175 -1.278 6.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 9.888 -0.354 6.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.596 -1.564 7.642 1.00 0.00 H new ATOM 917 N ASP A 56 3.364 -4.523 5.976 1.00 0.00 N ATOM 918 CA ASP A 56 2.570 -5.100 4.890 1.00 0.00 C ATOM 919 C ASP A 56 1.231 -4.370 4.700 1.00 0.00 C ATOM 920 O ASP A 56 0.730 -4.290 3.581 1.00 0.00 O ATOM 921 CB ASP A 56 2.367 -6.592 5.170 1.00 0.00 C ATOM 922 CG ASP A 56 1.778 -7.341 3.965 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.452 -7.411 2.911 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.657 -7.884 4.099 1.00 0.00 O ATOM 0 H ASP A 56 3.349 -5.083 6.828 1.00 0.00 H new ATOM 0 HA ASP A 56 3.111 -4.977 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.323 -7.041 5.441 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.704 -6.711 6.027 1.00 0.00 H new ATOM 929 N ALA A 57 0.685 -3.756 5.757 1.00 0.00 N ATOM 930 CA ALA A 57 -0.485 -2.878 5.644 1.00 0.00 C ATOM 931 C ALA A 57 -0.179 -1.626 4.799 1.00 0.00 C ATOM 932 O ALA A 57 -0.940 -1.318 3.879 1.00 0.00 O ATOM 933 CB ALA A 57 -0.997 -2.534 7.048 1.00 0.00 C ATOM 0 H ALA A 57 1.039 -3.853 6.709 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.278 -3.403 5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.867 -1.882 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.277 -3.450 7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.212 -2.025 7.607 1.00 0.00 H new ATOM 939 N GLN A 58 0.956 -0.954 5.045 1.00 0.00 N ATOM 940 CA GLN A 58 1.445 0.140 4.191 1.00 0.00 C ATOM 941 C GLN A 58 1.702 -0.332 2.757 1.00 0.00 C ATOM 942 O GLN A 58 1.369 0.375 1.813 1.00 0.00 O ATOM 943 CB GLN A 58 2.758 0.728 4.733 1.00 0.00 C ATOM 944 CG GLN A 58 2.610 1.642 5.957 1.00 0.00 C ATOM 945 CD GLN A 58 3.931 2.306 6.360 1.00 0.00 C ATOM 946 OE1 GLN A 58 5.023 1.916 5.959 1.00 0.00 O ATOM 947 NE2 GLN A 58 3.893 3.359 7.151 1.00 0.00 N ATOM 0 H GLN A 58 1.561 -1.154 5.842 1.00 0.00 H new ATOM 0 HA GLN A 58 0.663 0.899 4.195 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.426 -0.094 4.992 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.241 1.292 3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.871 2.413 5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.229 1.060 6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.998 3.704 7.498 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.758 3.829 7.416 1.00 0.00 H new ATOM 956 N SER A 59 2.263 -1.528 2.576 1.00 0.00 N ATOM 957 CA SER A 59 2.541 -2.075 1.240 1.00 0.00 C ATOM 958 C SER A 59 1.254 -2.337 0.439 1.00 0.00 C ATOM 959 O SER A 59 1.202 -2.061 -0.760 1.00 0.00 O ATOM 960 CB SER A 59 3.375 -3.359 1.357 1.00 0.00 C ATOM 961 OG SER A 59 4.615 -3.121 2.012 1.00 0.00 O ATOM 0 H SER A 59 2.537 -2.143 3.342 1.00 0.00 H new ATOM 0 HA SER A 59 3.111 -1.325 0.691 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.810 -4.111 1.908 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.560 -3.765 0.363 1.00 0.00 H new ATOM 0 HG SER A 59 4.456 -2.958 2.965 1.00 0.00 H new ATOM 967 N ASN A 60 0.178 -2.782 1.097 1.00 0.00 N ATOM 968 CA ASN A 60 -1.138 -2.936 0.465 1.00 0.00 C ATOM 969 C ASN A 60 -1.796 -1.574 0.173 1.00 0.00 C ATOM 970 O ASN A 60 -2.374 -1.397 -0.902 1.00 0.00 O ATOM 971 CB ASN A 60 -2.045 -3.821 1.336 1.00 0.00 C ATOM 972 CG ASN A 60 -1.768 -5.308 1.137 1.00 0.00 C ATOM 973 OD1 ASN A 60 -2.239 -5.922 0.187 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.019 -5.929 2.026 1.00 0.00 N ATOM 0 H ASN A 60 0.194 -3.046 2.082 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.994 -3.429 -0.497 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.900 -3.564 2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.088 -3.613 1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.829 -6.926 1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.630 -5.413 2.815 1.00 0.00 H new ATOM 981 N ALA A 61 -1.663 -0.589 1.071 1.00 0.00 N ATOM 982 CA ALA A 61 -2.147 0.776 0.841 1.00 0.00 C ATOM 983 C ALA A 61 -1.442 1.430 -0.358 1.00 0.00 C ATOM 984 O ALA A 61 -2.102 2.009 -1.222 1.00 0.00 O ATOM 985 CB ALA A 61 -1.965 1.591 2.129 1.00 0.00 C ATOM 0 H ALA A 61 -1.216 -0.718 1.979 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.207 0.746 0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.322 2.608 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.535 1.129 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.909 1.615 2.398 1.00 0.00 H new ATOM 991 N ALA A 62 -0.119 1.262 -0.460 1.00 0.00 N ATOM 992 CA ALA A 62 0.681 1.713 -1.594 1.00 0.00 C ATOM 993 C ALA A 62 0.252 1.023 -2.897 1.00 0.00 C ATOM 994 O ALA A 62 -0.015 1.709 -3.885 1.00 0.00 O ATOM 995 CB ALA A 62 2.159 1.478 -1.266 1.00 0.00 C ATOM 0 H ALA A 62 0.433 0.798 0.261 1.00 0.00 H new ATOM 0 HA ALA A 62 0.521 2.778 -1.761 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.774 1.809 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.427 2.042 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.328 0.416 -1.089 1.00 0.00 H new ATOM 1001 N ARG A 63 0.096 -0.310 -2.892 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.366 -1.077 -4.059 1.00 0.00 C ATOM 1003 C ARG A 63 -1.720 -0.582 -4.587 1.00 0.00 C ATOM 1004 O ARG A 63 -1.906 -0.506 -5.803 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.425 -2.579 -3.705 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.686 -3.501 -4.911 1.00 0.00 C ATOM 1007 CD ARG A 63 0.460 -3.503 -5.938 1.00 0.00 C ATOM 1008 NE ARG A 63 0.068 -4.160 -7.195 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.640 -3.609 -8.174 1.00 0.00 C ATOM 1010 NH1 ARG A 63 -1.108 -2.381 -8.097 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.908 -4.300 -9.259 1.00 0.00 N ATOM 0 H ARG A 63 0.288 -0.889 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 63 0.353 -0.924 -4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.516 -2.868 -3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.210 -2.736 -2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.845 -4.518 -4.553 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.606 -3.189 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.765 -2.477 -6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.325 -4.014 -5.516 1.00 0.00 H new ATOM 0 HE ARG A 63 0.367 -5.126 -7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.931 -1.819 -7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.648 -1.992 -8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.572 -5.259 -9.349 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.452 -3.877 -10.011 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.631 -0.196 -3.694 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.966 0.314 -4.019 1.00 0.00 C ATOM 1027 C ASP A 64 -3.962 1.781 -4.500 1.00 0.00 C ATOM 1028 O ASP A 64 -4.779 2.150 -5.345 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.854 0.116 -2.784 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.345 0.346 -3.069 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.889 -0.310 -3.991 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.966 1.145 -2.332 1.00 0.00 O ATOM 0 H ASP A 64 -2.455 -0.230 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.362 -0.246 -4.866 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.715 -0.896 -2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.531 0.799 -1.999 1.00 0.00 H new ATOM 1037 N PHE A 65 -3.002 2.602 -4.051 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.786 3.949 -4.596 1.00 0.00 C ATOM 1039 C PHE A 65 -2.070 3.903 -5.956 1.00 0.00 C ATOM 1040 O PHE A 65 -2.433 4.644 -6.865 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.028 4.813 -3.581 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.066 6.297 -3.906 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -1.102 6.870 -4.756 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -3.094 7.107 -3.386 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -1.172 8.235 -5.085 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -3.170 8.470 -3.722 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.209 9.034 -4.576 1.00 0.00 C ATOM 0 H PHE A 65 -2.356 2.352 -3.303 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.759 4.408 -4.774 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.454 4.654 -2.590 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.990 4.484 -3.538 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.306 6.260 -5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.831 6.677 -2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.425 8.671 -5.732 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.966 9.082 -3.324 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.267 10.079 -4.841 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.110 2.992 -6.136 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.463 2.731 -7.438 1.00 0.00 C ATOM 1059 C VAL A 66 -1.493 2.248 -8.464 1.00 0.00 C ATOM 1060 O VAL A 66 -1.486 2.717 -9.600 1.00 0.00 O ATOM 1061 CB VAL A 66 0.697 1.720 -7.302 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.256 1.253 -8.654 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.838 2.361 -6.504 1.00 0.00 C ATOM 0 H VAL A 66 -0.753 2.407 -5.381 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.038 3.670 -7.793 1.00 0.00 H new ATOM 0 HB VAL A 66 0.291 0.846 -6.793 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.068 0.545 -8.487 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.465 0.770 -9.228 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.633 2.113 -9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.658 1.650 -6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.190 3.252 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.478 2.638 -5.513 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.432 1.391 -8.050 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.592 1.025 -8.880 1.00 0.00 C ATOM 1075 C ASN A 67 -4.362 2.261 -9.378 1.00 0.00 C ATOM 1076 O ASN A 67 -4.574 2.395 -10.582 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.541 0.063 -8.139 1.00 0.00 C ATOM 1078 CG ASN A 67 -4.182 -1.411 -8.293 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -3.607 -1.840 -9.287 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -4.517 -2.236 -7.318 1.00 0.00 N ATOM 0 H ASN A 67 -2.413 0.933 -7.139 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.194 0.507 -9.753 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.542 0.316 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.556 0.218 -8.505 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.297 -3.229 -7.392 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.995 -1.880 -6.491 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.701 3.221 -8.509 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.301 4.495 -8.934 1.00 0.00 C ATOM 1089 C TYR A 68 -4.408 5.278 -9.915 1.00 0.00 C ATOM 1090 O TYR A 68 -4.894 5.704 -10.964 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.675 5.327 -7.702 1.00 0.00 C ATOM 1092 CG TYR A 68 -6.002 6.777 -8.005 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.248 7.119 -8.563 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -5.046 7.781 -7.753 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.544 8.462 -8.863 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -5.334 9.125 -8.054 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.590 9.471 -8.605 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.892 10.771 -8.879 1.00 0.00 O ATOM 0 H TYR A 68 -4.570 3.140 -7.501 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.210 4.269 -9.491 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.534 4.867 -7.214 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.849 5.294 -6.991 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.979 6.349 -8.762 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.089 7.518 -7.327 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.501 8.721 -9.291 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.597 9.891 -7.865 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.130 11.340 -8.644 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.099 5.386 -9.655 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.152 6.070 -10.549 1.00 0.00 C ATOM 1110 C LEU A 69 -2.030 5.410 -11.934 1.00 0.00 C ATOM 1111 O LEU A 69 -1.843 6.117 -12.923 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.773 6.175 -9.882 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.679 7.056 -8.621 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.736 6.906 -8.045 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.988 8.530 -8.931 1.00 0.00 C ATOM 0 H LEU A 69 -2.664 5.001 -8.817 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.555 7.068 -10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.445 5.169 -9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.067 6.559 -10.619 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.423 6.730 -7.894 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.831 7.520 -7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.916 5.862 -7.790 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.467 7.229 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.911 9.118 -8.016 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.274 8.905 -9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.998 8.613 -9.332 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.192 4.089 -12.035 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.285 3.366 -13.322 1.00 0.00 C ATOM 1129 C VAL A 70 -3.625 3.641 -14.015 1.00 0.00 C ATOM 1130 O VAL A 70 -3.654 3.883 -15.221 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.071 1.843 -13.146 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.322 1.044 -14.436 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.639 1.547 -12.681 1.00 0.00 C ATOM 0 H VAL A 70 -2.264 3.477 -11.222 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.483 3.743 -13.956 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.799 1.530 -12.398 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.155 -0.016 -14.246 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.350 1.196 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.639 1.385 -15.214 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.510 0.471 -12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.068 1.919 -13.422 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.457 2.041 -11.726 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.725 3.667 -13.252 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.080 3.948 -13.760 1.00 0.00 C ATOM 1145 C ARG A 71 -6.237 5.380 -14.304 1.00 0.00 C ATOM 1146 O ARG A 71 -7.034 5.596 -15.218 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.127 3.660 -12.669 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.275 2.157 -12.374 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.021 1.930 -11.054 1.00 0.00 C ATOM 1150 NE ARG A 71 -8.059 0.499 -10.699 1.00 0.00 N ATOM 1151 CZ ARG A 71 -8.300 -0.011 -9.496 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -8.565 0.747 -8.451 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -8.269 -1.314 -9.323 1.00 0.00 N ATOM 0 H ARG A 71 -4.701 3.491 -12.248 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.246 3.281 -14.606 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.845 4.180 -11.754 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.091 4.062 -12.980 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.814 1.674 -13.189 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.290 1.693 -12.324 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.534 2.492 -10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.038 2.313 -11.138 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.883 -0.166 -11.452 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.590 1.762 -8.550 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.745 0.319 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.061 -1.928 -10.110 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.453 -1.711 -8.402 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.440 6.342 -13.817 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.338 7.713 -14.373 1.00 0.00 C ATOM 1169 C ILE A 72 -4.126 7.918 -15.306 1.00 0.00 C ATOM 1170 O ILE A 72 -3.883 9.035 -15.759 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.423 8.792 -13.262 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.194 8.809 -12.327 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.729 8.625 -12.460 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.046 10.111 -11.534 1.00 0.00 C ATOM 0 H ILE A 72 -4.834 6.193 -13.010 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.210 7.840 -15.014 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.427 9.761 -13.762 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.267 7.975 -11.629 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.294 8.650 -12.921 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.779 9.387 -11.683 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.583 8.733 -13.129 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.750 7.637 -12.001 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.162 10.052 -10.899 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.941 10.948 -12.225 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.929 10.261 -10.913 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.360 6.856 -15.593 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.238 6.811 -16.549 1.00 0.00 C ATOM 1188 C ASN A 73 -0.986 7.621 -16.116 1.00 0.00 C ATOM 1189 O ASN A 73 -0.096 7.887 -16.924 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.749 7.142 -17.968 1.00 0.00 C ATOM 1191 CG ASN A 73 -1.811 6.663 -19.076 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.231 7.450 -19.817 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -1.652 5.360 -19.239 1.00 0.00 N ATOM 0 H ASN A 73 -3.513 5.954 -15.141 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.858 5.790 -16.560 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.729 6.686 -18.109 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.883 8.220 -18.056 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.047 5.009 -19.981 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.135 4.706 -18.622 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.881 7.973 -14.828 1.00 0.00 N ATOM 1201 CA GLU A 74 0.284 8.645 -14.225 1.00 0.00 C ATOM 1202 C GLU A 74 1.394 7.662 -13.784 1.00 0.00 C ATOM 1203 O GLU A 74 2.500 8.083 -13.438 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.180 9.537 -13.060 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.033 10.736 -13.506 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.275 11.685 -14.450 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.834 12.139 -14.084 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.788 11.996 -15.550 1.00 0.00 O ATOM 0 H GLU A 74 -1.625 7.794 -14.154 1.00 0.00 H new ATOM 0 HA GLU A 74 0.739 9.268 -14.995 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.755 8.933 -12.358 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.695 9.904 -12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.930 10.372 -14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.361 11.290 -12.627 1.00 0.00 H new ATOM 1215 N VAL A 75 1.120 6.354 -13.842 1.00 0.00 N ATOM 1216 CA VAL A 75 2.077 5.240 -13.708 1.00 0.00 C ATOM 1217 C VAL A 75 1.805 4.254 -14.851 1.00 0.00 C ATOM 1218 O VAL A 75 0.649 3.953 -15.143 1.00 0.00 O ATOM 1219 CB VAL A 75 1.938 4.516 -12.343 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.824 3.264 -12.257 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.361 5.390 -11.158 1.00 0.00 C ATOM 0 H VAL A 75 0.168 6.020 -13.993 1.00 0.00 H new ATOM 0 HA VAL A 75 3.093 5.633 -13.757 1.00 0.00 H new ATOM 0 HB VAL A 75 0.879 4.266 -12.286 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.693 2.791 -11.284 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.540 2.563 -13.042 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.869 3.548 -12.384 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.241 4.829 -10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.405 5.680 -11.274 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.738 6.284 -11.124 1.00 0.00 H new ATOM 1231 N LYS A 76 2.857 3.731 -15.491 1.00 0.00 N ATOM 1232 CA LYS A 76 2.740 2.617 -16.443 1.00 0.00 C ATOM 1233 C LYS A 76 2.754 1.280 -15.688 1.00 0.00 C ATOM 1234 O LYS A 76 3.672 1.013 -14.911 1.00 0.00 O ATOM 1235 CB LYS A 76 3.879 2.665 -17.479 1.00 0.00 C ATOM 1236 CG LYS A 76 3.869 3.954 -18.317 1.00 0.00 C ATOM 1237 CD LYS A 76 4.970 3.921 -19.386 1.00 0.00 C ATOM 1238 CE LYS A 76 4.938 5.215 -20.212 1.00 0.00 C ATOM 1239 NZ LYS A 76 5.985 5.220 -21.267 1.00 0.00 N ATOM 0 H LYS A 76 3.812 4.066 -15.365 1.00 0.00 H new ATOM 0 HA LYS A 76 1.794 2.710 -16.976 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.836 2.579 -16.964 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.796 1.805 -18.143 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.897 4.075 -18.794 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.014 4.817 -17.667 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.945 3.806 -18.912 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.829 3.059 -20.039 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.957 5.328 -20.673 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.082 6.071 -19.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.933 6.109 -21.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.923 5.137 -20.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.833 4.417 -21.911 1.00 0.00 H new ATOM 1253 N SER A 77 1.779 0.408 -15.935 1.00 0.00 N ATOM 1254 CA SER A 77 1.656 -0.896 -15.257 1.00 0.00 C ATOM 1255 C SER A 77 2.923 -1.763 -15.378 1.00 0.00 C ATOM 1256 O SER A 77 3.309 -2.429 -14.416 1.00 0.00 O ATOM 1257 CB SER A 77 0.441 -1.652 -15.812 1.00 0.00 C ATOM 1258 OG SER A 77 0.493 -1.733 -17.232 1.00 0.00 O ATOM 0 H SER A 77 1.041 0.581 -16.617 1.00 0.00 H new ATOM 0 HA SER A 77 1.521 -0.694 -14.195 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.409 -2.656 -15.388 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.476 -1.147 -15.507 1.00 0.00 H new ATOM 0 HG SER A 77 -0.291 -2.221 -17.561 1.00 0.00 H new ATOM 1264 N GLU A 78 3.639 -1.664 -16.505 1.00 0.00 N ATOM 1265 CA GLU A 78 4.877 -2.408 -16.785 1.00 0.00 C ATOM 1266 C GLU A 78 6.019 -2.103 -15.793 1.00 0.00 C ATOM 1267 O GLU A 78 6.944 -2.907 -15.656 1.00 0.00 O ATOM 1268 CB GLU A 78 5.349 -2.115 -18.220 1.00 0.00 C ATOM 1269 CG GLU A 78 4.321 -2.521 -19.286 1.00 0.00 C ATOM 1270 CD GLU A 78 4.893 -2.339 -20.700 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.783 -1.225 -21.263 1.00 0.00 O ATOM 1272 OE2 GLU A 78 5.452 -3.312 -21.262 1.00 0.00 O ATOM 0 H GLU A 78 3.367 -1.047 -17.270 1.00 0.00 H new ATOM 0 HA GLU A 78 4.634 -3.464 -16.668 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.562 -1.050 -18.316 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.283 -2.645 -18.404 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.030 -3.561 -19.139 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.419 -1.919 -19.174 1.00 0.00 H new ATOM 1279 N GLU A 79 5.947 -0.979 -15.067 1.00 0.00 N ATOM 1280 CA GLU A 79 6.925 -0.584 -14.048 1.00 0.00 C ATOM 1281 C GLU A 79 6.577 -1.102 -12.638 1.00 0.00 C ATOM 1282 O GLU A 79 7.442 -1.121 -11.761 1.00 0.00 O ATOM 1283 CB GLU A 79 7.018 0.950 -14.001 1.00 0.00 C ATOM 1284 CG GLU A 79 7.516 1.604 -15.299 1.00 0.00 C ATOM 1285 CD GLU A 79 8.960 1.201 -15.642 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.899 1.651 -14.943 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.170 0.455 -16.626 1.00 0.00 O ATOM 0 H GLU A 79 5.189 -0.305 -15.176 1.00 0.00 H new ATOM 0 HA GLU A 79 7.876 -1.033 -14.334 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.034 1.353 -13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.685 1.235 -13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.858 1.321 -16.121 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.457 2.688 -15.202 1.00 0.00 H new ATOM 1294 N VAL A 80 5.330 -1.524 -12.404 1.00 0.00 N ATOM 1295 CA VAL A 80 4.797 -1.838 -11.064 1.00 0.00 C ATOM 1296 C VAL A 80 5.331 -3.200 -10.576 1.00 0.00 C ATOM 1297 O VAL A 80 5.159 -4.192 -11.293 1.00 0.00 O ATOM 1298 CB VAL A 80 3.249 -1.825 -11.047 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.688 -2.131 -9.648 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.699 -0.460 -11.502 1.00 0.00 C ATOM 0 H VAL A 80 4.647 -1.661 -13.149 1.00 0.00 H new ATOM 0 HA VAL A 80 5.141 -1.060 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 80 2.930 -2.604 -11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.599 -2.112 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.024 -3.118 -9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.043 -1.381 -8.942 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.609 -0.481 -11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.061 0.320 -10.832 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.037 -0.251 -12.517 1.00 0.00 H new ATOM 1310 N PRO A 81 5.955 -3.285 -9.380 1.00 0.00 N ATOM 1311 CA PRO A 81 6.466 -4.539 -8.833 1.00 0.00 C ATOM 1312 C PRO A 81 5.324 -5.440 -8.341 1.00 0.00 C ATOM 1313 O PRO A 81 4.316 -4.961 -7.817 1.00 0.00 O ATOM 1314 CB PRO A 81 7.411 -4.135 -7.697 1.00 0.00 C ATOM 1315 CG PRO A 81 6.816 -2.820 -7.201 1.00 0.00 C ATOM 1316 CD PRO A 81 6.271 -2.183 -8.480 1.00 0.00 C ATOM 0 HA PRO A 81 6.989 -5.127 -9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.438 -4.887 -6.909 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.434 -4.006 -8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.029 -2.986 -6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.569 -2.191 -6.726 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.384 -1.585 -8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.007 -1.515 -8.926 1.00 0.00 H new ATOM 1324 N ALA A 82 5.496 -6.755 -8.506 1.00 0.00 N ATOM 1325 CA ALA A 82 4.511 -7.784 -8.156 1.00 0.00 C ATOM 1326 C ALA A 82 5.180 -9.086 -7.664 1.00 0.00 C ATOM 1327 O ALA A 82 6.364 -9.323 -7.912 1.00 0.00 O ATOM 1328 CB ALA A 82 3.611 -8.025 -9.380 1.00 0.00 C ATOM 0 H ALA A 82 6.352 -7.146 -8.900 1.00 0.00 H new ATOM 0 HA ALA A 82 3.904 -7.436 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.870 -8.788 -9.142 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.104 -7.098 -9.647 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.220 -8.360 -10.219 1.00 0.00 H new ATOM 1334 N VAL A 83 4.409 -9.938 -6.978 1.00 0.00 N ATOM 1335 CA VAL A 83 4.873 -11.154 -6.290 1.00 0.00 C ATOM 1336 C VAL A 83 5.396 -12.279 -7.210 1.00 0.00 C ATOM 1337 O VAL A 83 6.017 -13.225 -6.724 1.00 0.00 O ATOM 1338 CB VAL A 83 3.734 -11.652 -5.365 1.00 0.00 C ATOM 1339 CG1 VAL A 83 2.732 -12.602 -6.043 1.00 0.00 C ATOM 1340 CG2 VAL A 83 4.297 -12.254 -4.080 1.00 0.00 C ATOM 0 H VAL A 83 3.404 -9.796 -6.882 1.00 0.00 H new ATOM 0 HA VAL A 83 5.755 -10.877 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 83 3.153 -10.765 -5.113 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.970 -12.901 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.259 -12.093 -6.883 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.257 -13.487 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.477 -12.596 -3.449 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.942 -13.098 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.875 -11.499 -3.547 1.00 0.00 H new ATOM 1350 N GLY A 84 5.161 -12.190 -8.527 1.00 0.00 N ATOM 1351 CA GLY A 84 5.591 -13.179 -9.521 1.00 0.00 C ATOM 1352 C GLY A 84 5.639 -12.633 -10.949 1.00 0.00 C ATOM 1353 O GLY A 84 5.046 -11.600 -11.263 1.00 0.00 O ATOM 0 H GLY A 84 4.653 -11.407 -8.939 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.580 -13.548 -9.249 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.912 -14.031 -9.490 1.00 0.00 H new ATOM 1357 N ILE A 85 6.350 -13.355 -11.817 1.00 0.00 N ATOM 1358 CA ILE A 85 6.537 -13.079 -13.255 1.00 0.00 C ATOM 1359 C ILE A 85 6.160 -14.342 -14.057 1.00 0.00 C ATOM 1360 O ILE A 85 6.424 -15.456 -13.600 1.00 0.00 O ATOM 1361 CB ILE A 85 7.996 -12.612 -13.524 1.00 0.00 C ATOM 1362 CG1 ILE A 85 8.338 -11.364 -12.671 1.00 0.00 C ATOM 1363 CG2 ILE A 85 8.218 -12.328 -15.026 1.00 0.00 C ATOM 1364 CD1 ILE A 85 9.753 -10.802 -12.865 1.00 0.00 C ATOM 0 H ILE A 85 6.842 -14.199 -11.524 1.00 0.00 H new ATOM 0 HA ILE A 85 5.885 -12.268 -13.579 1.00 0.00 H new ATOM 0 HB ILE A 85 8.668 -13.419 -13.232 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.619 -10.579 -12.902 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.207 -11.617 -11.619 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.246 -12.003 -15.187 1.00 0.00 H new ATOM 0 HG22 ILE A 85 8.030 -13.236 -15.600 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.535 -11.544 -15.353 1.00 0.00 H new ATOM 0 HD11 ILE A 85 9.890 -9.932 -12.223 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.486 -11.565 -12.603 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.889 -10.510 -13.906 1.00 0.00 H new ATOM 1376 N VAL A 86 5.550 -14.179 -15.236 1.00 0.00 N ATOM 1377 CA VAL A 86 5.040 -15.265 -16.100 1.00 0.00 C ATOM 1378 C VAL A 86 5.609 -15.173 -17.533 1.00 0.00 C ATOM 1379 O VAL A 86 6.002 -14.077 -17.946 1.00 0.00 O ATOM 1380 CB VAL A 86 3.492 -15.274 -16.140 1.00 0.00 C ATOM 1381 CG1 VAL A 86 2.904 -15.664 -14.774 1.00 0.00 C ATOM 1382 CG2 VAL A 86 2.874 -13.944 -16.610 1.00 0.00 C ATOM 0 H VAL A 86 5.389 -13.254 -15.635 1.00 0.00 H new ATOM 0 HA VAL A 86 5.381 -16.203 -15.661 1.00 0.00 H new ATOM 0 HB VAL A 86 3.228 -16.026 -16.884 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.816 -15.662 -14.832 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.251 -16.660 -14.500 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.228 -14.947 -14.020 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.787 -14.028 -16.612 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.175 -13.144 -15.934 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.222 -13.717 -17.618 1.00 0.00 H new ATOM 1392 N PRO A 87 5.659 -16.288 -18.300 1.00 0.00 N ATOM 1393 CA PRO A 87 6.125 -16.307 -19.689 1.00 0.00 C ATOM 1394 C PRO A 87 5.301 -15.408 -20.637 1.00 0.00 C ATOM 1395 O PRO A 87 4.175 -15.033 -20.292 1.00 0.00 O ATOM 1396 CB PRO A 87 6.039 -17.773 -20.140 1.00 0.00 C ATOM 1397 CG PRO A 87 6.125 -18.558 -18.837 1.00 0.00 C ATOM 1398 CD PRO A 87 5.384 -17.652 -17.858 1.00 0.00 C ATOM 0 HA PRO A 87 7.138 -15.906 -19.734 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.107 -17.975 -20.668 1.00 0.00 H new ATOM 0 HB3 PRO A 87 6.853 -18.032 -20.818 1.00 0.00 H new ATOM 0 HG2 PRO A 87 5.653 -19.537 -18.921 1.00 0.00 H new ATOM 0 HG3 PRO A 87 7.158 -18.727 -18.532 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.314 -17.858 -17.866 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.731 -17.811 -16.837 1.00 0.00 H new ATOM 1406 N PRO A 88 5.821 -15.097 -21.845 1.00 0.00 N ATOM 1407 CA PRO A 88 5.091 -14.390 -22.899 1.00 0.00 C ATOM 1408 C PRO A 88 3.765 -15.078 -23.280 1.00 0.00 C ATOM 1409 O PRO A 88 3.661 -16.303 -23.159 1.00 0.00 O ATOM 1410 CB PRO A 88 6.041 -14.344 -24.105 1.00 0.00 C ATOM 1411 CG PRO A 88 7.426 -14.440 -23.471 1.00 0.00 C ATOM 1412 CD PRO A 88 7.181 -15.373 -22.289 1.00 0.00 C ATOM 0 HA PRO A 88 4.807 -13.396 -22.554 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.856 -15.169 -24.793 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.923 -13.422 -24.674 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.163 -14.847 -24.164 1.00 0.00 H new ATOM 0 HG3 PRO A 88 7.794 -13.466 -23.150 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.293 -16.416 -22.584 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.899 -15.189 -21.490 1.00 0.00 H new ATOM 1420 N PRO A 89 2.760 -14.326 -23.779 1.00 0.00 N ATOM 1421 CA PRO A 89 1.439 -14.859 -24.113 1.00 0.00 C ATOM 1422 C PRO A 89 1.444 -15.816 -25.318 1.00 0.00 C ATOM 1423 O PRO A 89 0.500 -16.585 -25.486 1.00 0.00 O ATOM 1424 CB PRO A 89 0.557 -13.631 -24.364 1.00 0.00 C ATOM 1425 CG PRO A 89 1.550 -12.579 -24.852 1.00 0.00 C ATOM 1426 CD PRO A 89 2.799 -12.890 -24.028 1.00 0.00 C ATOM 0 HA PRO A 89 1.064 -15.476 -23.297 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.212 -13.834 -25.109 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.045 -13.311 -23.456 1.00 0.00 H new ATOM 0 HG2 PRO A 89 1.739 -12.666 -25.922 1.00 0.00 H new ATOM 0 HG3 PRO A 89 1.188 -11.566 -24.673 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.704 -12.611 -24.568 1.00 0.00 H new ATOM 0 HD3 PRO A 89 2.800 -12.330 -23.093 1.00 0.00 H new ATOM 1434 N SER A 90 2.507 -15.825 -26.129 1.00 0.00 N ATOM 1435 CA SER A 90 2.716 -16.806 -27.209 1.00 0.00 C ATOM 1436 C SER A 90 3.083 -18.216 -26.698 1.00 0.00 C ATOM 1437 O SER A 90 3.034 -19.186 -27.461 1.00 0.00 O ATOM 1438 CB SER A 90 3.823 -16.311 -28.156 1.00 0.00 C ATOM 1439 OG SER A 90 3.559 -14.997 -28.640 1.00 0.00 O ATOM 0 H SER A 90 3.261 -15.142 -26.056 1.00 0.00 H new ATOM 0 HA SER A 90 1.764 -16.893 -27.732 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.779 -16.320 -27.633 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.914 -16.997 -28.998 1.00 0.00 H new ATOM 0 HG SER A 90 4.284 -14.716 -29.236 1.00 0.00 H new ATOM 1445 N GLY A 91 3.444 -18.345 -25.412 1.00 0.00 N ATOM 1446 CA GLY A 91 3.835 -19.599 -24.754 1.00 0.00 C ATOM 1447 C GLY A 91 5.256 -20.083 -25.107 1.00 0.00 C ATOM 1448 O GLY A 91 5.985 -19.388 -25.825 1.00 0.00 O ATOM 0 H GLY A 91 3.472 -17.546 -24.778 1.00 0.00 H new ATOM 0 HA2 GLY A 91 3.767 -19.466 -23.674 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.121 -20.376 -25.025 1.00 0.00 H new ATOM 1452 N PRO A 92 5.662 -21.266 -24.598 1.00 0.00 N ATOM 1453 CA PRO A 92 6.936 -21.911 -24.919 1.00 0.00 C ATOM 1454 C PRO A 92 7.074 -22.245 -26.411 1.00 0.00 C ATOM 1455 O PRO A 92 6.082 -22.458 -27.109 1.00 0.00 O ATOM 1456 CB PRO A 92 6.987 -23.189 -24.070 1.00 0.00 C ATOM 1457 CG PRO A 92 6.028 -22.899 -22.918 1.00 0.00 C ATOM 1458 CD PRO A 92 4.956 -22.045 -23.588 1.00 0.00 C ATOM 0 HA PRO A 92 7.763 -21.236 -24.698 1.00 0.00 H new ATOM 0 HB2 PRO A 92 6.673 -24.062 -24.642 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.996 -23.390 -23.710 1.00 0.00 H new ATOM 0 HG2 PRO A 92 5.613 -23.814 -22.496 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.521 -22.367 -22.104 1.00 0.00 H new ATOM 0 HD2 PRO A 92 4.183 -22.667 -24.040 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.461 -21.396 -22.865 1.00 0.00 H new ATOM 1466 N SER A 93 8.315 -22.338 -26.895 1.00 0.00 N ATOM 1467 CA SER A 93 8.652 -22.664 -28.293 1.00 0.00 C ATOM 1468 C SER A 93 10.116 -23.130 -28.445 1.00 0.00 C ATOM 1469 O SER A 93 10.955 -22.891 -27.572 1.00 0.00 O ATOM 1470 CB SER A 93 8.352 -21.469 -29.221 1.00 0.00 C ATOM 1471 OG SER A 93 9.083 -20.298 -28.871 1.00 0.00 O ATOM 0 H SER A 93 9.139 -22.185 -26.314 1.00 0.00 H new ATOM 0 HA SER A 93 8.019 -23.500 -28.592 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.589 -21.745 -30.249 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.285 -21.249 -29.188 1.00 0.00 H new ATOM 0 HG SER A 93 8.857 -19.574 -29.491 1.00 0.00 H new ATOM 1477 N SER A 94 10.433 -23.817 -29.547 1.00 0.00 N ATOM 1478 CA SER A 94 11.758 -24.373 -29.889 1.00 0.00 C ATOM 1479 C SER A 94 11.815 -24.783 -31.375 1.00 0.00 C ATOM 1480 O SER A 94 10.779 -25.060 -31.992 1.00 0.00 O ATOM 1481 CB SER A 94 12.085 -25.599 -29.012 1.00 0.00 C ATOM 1482 OG SER A 94 12.469 -25.232 -27.693 1.00 0.00 O ATOM 0 H SER A 94 9.738 -24.014 -30.267 1.00 0.00 H new ATOM 0 HA SER A 94 12.497 -23.593 -29.703 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.214 -26.253 -28.966 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.888 -26.171 -29.476 1.00 0.00 H new ATOM 0 HG SER A 94 12.104 -24.348 -27.480 1.00 0.00 H new ATOM 1488 N GLY A 95 13.023 -24.832 -31.955 1.00 0.00 N ATOM 1489 CA GLY A 95 13.269 -25.224 -33.353 1.00 0.00 C ATOM 1490 C GLY A 95 14.742 -25.127 -33.749 1.00 0.00 C ATOM 1491 O GLY A 95 15.086 -24.229 -34.548 1.00 0.00 O ATOM 1492 OXT GLY A 95 15.545 -25.946 -33.249 1.00 0.00 O ATOM 0 H GLY A 95 13.879 -24.594 -31.453 1.00 0.00 H new ATOM 0 HA2 GLY A 95 12.924 -26.247 -33.504 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.678 -24.588 -34.012 1.00 0.00 H new TER 1496 GLY A 95