USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 512 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 47 SER OG : rot -150:sc= -2.15 USER MOD Set 1.2: A 50 THR OG1 : rot 180:sc= 0.0375 USER MOD Set 2.1: A 17 SER OG : rot 38:sc= 0.732 USER MOD Set 2.2: A 19 HIS : no HE2:sc= 1.2 K(o=1.9,f=-3.1!) USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.00703 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 6:sc= 0.83! USER MOD Single : A 8 ASN : amide:sc= -0.808 K(o=-0.81,f=-0.11) USER MOD Single : A 9 MET CE :methyl 176:sc= -4.48! (180deg=-4.75!) USER MOD Single : A 14 HIS : no HD1:sc= -0.84 K(o=-0.84,f=-1.5) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 60:sc= 0.601 USER MOD Single : A 27 GLN : amide:sc= -6.48! C(o=-6.5!,f=-12!) USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0.0317 (180deg=0.0309) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.400 -0.483 5.157 1.00 0.00 N ATOM 2 CA GLY A 1 10.073 -1.259 6.182 1.00 0.00 C ATOM 3 C GLY A 1 11.080 -2.233 5.604 1.00 0.00 C ATOM 4 O GLY A 1 11.779 -1.916 4.642 1.00 0.00 O ATOM 0 H1 GLY A 1 9.337 0.510 5.459 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.937 -0.542 4.268 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.443 -0.861 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.580 -0.583 6.871 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.332 -1.809 6.762 1.00 0.00 H new ATOM 8 N SER A 2 11.156 -3.423 6.193 1.00 0.00 N ATOM 9 CA SER A 2 12.089 -4.445 5.734 1.00 0.00 C ATOM 10 C SER A 2 12.195 -4.440 4.212 1.00 0.00 C ATOM 11 O SER A 2 11.261 -4.831 3.512 1.00 0.00 O ATOM 12 CB SER A 2 11.646 -5.826 6.221 1.00 0.00 C ATOM 13 OG SER A 2 12.125 -6.083 7.530 1.00 0.00 O ATOM 0 H SER A 2 10.582 -3.702 6.989 1.00 0.00 H new ATOM 0 HA SER A 2 13.071 -4.219 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.558 -5.887 6.210 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.015 -6.591 5.538 1.00 0.00 H new ATOM 0 HG SER A 2 11.827 -6.971 7.819 1.00 0.00 H new ATOM 19 N SER A 3 13.341 -3.993 3.706 1.00 0.00 N ATOM 20 CA SER A 3 13.569 -3.933 2.267 1.00 0.00 C ATOM 21 C SER A 3 14.826 -4.708 1.884 1.00 0.00 C ATOM 22 O SER A 3 15.659 -5.021 2.733 1.00 0.00 O ATOM 23 CB SER A 3 13.693 -2.478 1.810 1.00 0.00 C ATOM 24 OG SER A 3 13.496 -2.365 0.411 1.00 0.00 O ATOM 0 H SER A 3 14.125 -3.667 4.271 1.00 0.00 H new ATOM 0 HA SER A 3 12.715 -4.391 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.960 -1.865 2.334 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.678 -2.093 2.074 1.00 0.00 H new ATOM 0 HG SER A 3 13.578 -1.426 0.144 1.00 0.00 H new ATOM 30 N GLY A 4 14.955 -5.015 0.596 1.00 0.00 N ATOM 31 CA GLY A 4 16.112 -5.751 0.121 1.00 0.00 C ATOM 32 C GLY A 4 15.734 -6.891 -0.803 1.00 0.00 C ATOM 33 O GLY A 4 16.213 -6.965 -1.935 1.00 0.00 O ATOM 0 H GLY A 4 14.279 -4.767 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.782 -5.070 -0.403 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.663 -6.146 0.974 1.00 0.00 H new ATOM 37 N SER A 5 14.875 -7.783 -0.320 1.00 0.00 N ATOM 38 CA SER A 5 14.438 -8.928 -1.110 1.00 0.00 C ATOM 39 C SER A 5 13.119 -8.630 -1.816 1.00 0.00 C ATOM 40 O SER A 5 12.233 -7.987 -1.253 1.00 0.00 O ATOM 41 CB SER A 5 14.284 -10.161 -0.217 1.00 0.00 C ATOM 42 OG SER A 5 13.296 -9.951 0.777 1.00 0.00 O ATOM 0 H SER A 5 14.468 -7.735 0.614 1.00 0.00 H new ATOM 0 HA SER A 5 15.197 -9.127 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.014 -11.024 -0.826 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.238 -10.392 0.257 1.00 0.00 H new ATOM 0 HG SER A 5 13.216 -10.754 1.333 1.00 0.00 H new ATOM 48 N SER A 6 12.997 -9.102 -3.052 1.00 0.00 N ATOM 49 CA SER A 6 11.788 -8.883 -3.838 1.00 0.00 C ATOM 50 C SER A 6 10.547 -8.941 -2.953 1.00 0.00 C ATOM 51 O SER A 6 10.215 -9.988 -2.398 1.00 0.00 O ATOM 52 CB SER A 6 11.684 -9.926 -4.953 1.00 0.00 C ATOM 53 OG SER A 6 11.293 -11.186 -4.437 1.00 0.00 O ATOM 0 H SER A 6 13.720 -9.639 -3.531 1.00 0.00 H new ATOM 0 HA SER A 6 11.848 -7.890 -4.284 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.961 -9.595 -5.699 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.645 -10.019 -5.459 1.00 0.00 H new ATOM 0 HG SER A 6 11.085 -11.099 -3.483 1.00 0.00 H new ATOM 59 N GLY A 7 9.864 -7.808 -2.827 1.00 0.00 N ATOM 60 CA GLY A 7 8.667 -7.750 -2.009 1.00 0.00 C ATOM 61 C GLY A 7 7.418 -7.487 -2.826 1.00 0.00 C ATOM 62 O GLY A 7 7.246 -8.049 -3.907 1.00 0.00 O ATOM 0 H GLY A 7 10.118 -6.929 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.553 -8.691 -1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.780 -6.965 -1.261 1.00 0.00 H new ATOM 66 N ASN A 8 6.543 -6.632 -2.308 1.00 0.00 N ATOM 67 CA ASN A 8 5.301 -6.297 -2.997 1.00 0.00 C ATOM 68 C ASN A 8 5.138 -4.785 -3.121 1.00 0.00 C ATOM 69 O ASN A 8 5.010 -4.081 -2.120 1.00 0.00 O ATOM 70 CB ASN A 8 4.104 -6.891 -2.251 1.00 0.00 C ATOM 71 CG ASN A 8 4.304 -6.895 -0.748 1.00 0.00 C ATOM 72 OD1 ASN A 8 4.696 -7.906 -0.165 1.00 0.00 O ATOM 73 ND2 ASN A 8 4.033 -5.761 -0.112 1.00 0.00 N ATOM 0 H ASN A 8 6.670 -6.158 -1.414 1.00 0.00 H new ATOM 0 HA ASN A 8 5.344 -6.723 -3.999 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.208 -6.320 -2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.935 -7.911 -2.595 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.148 -5.704 0.900 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.710 -4.947 -0.636 1.00 0.00 H new ATOM 80 N MET A 9 5.144 -4.295 -4.356 1.00 0.00 N ATOM 81 CA MET A 9 4.995 -2.867 -4.611 1.00 0.00 C ATOM 82 C MET A 9 3.626 -2.561 -5.210 1.00 0.00 C ATOM 83 O MET A 9 3.147 -3.280 -6.087 1.00 0.00 O ATOM 84 CB MET A 9 6.097 -2.377 -5.553 1.00 0.00 C ATOM 85 CG MET A 9 7.420 -2.111 -4.854 1.00 0.00 C ATOM 86 SD MET A 9 7.574 -0.408 -4.283 1.00 0.00 S ATOM 87 CE MET A 9 5.915 -0.102 -3.679 1.00 0.00 C ATOM 0 H MET A 9 5.250 -4.865 -5.195 1.00 0.00 H new ATOM 0 HA MET A 9 5.081 -2.343 -3.659 1.00 0.00 H new ATOM 0 HB2 MET A 9 6.252 -3.120 -6.335 1.00 0.00 H new ATOM 0 HB3 MET A 9 5.764 -1.462 -6.043 1.00 0.00 H new ATOM 0 HG2 MET A 9 7.519 -2.786 -4.004 1.00 0.00 H new ATOM 0 HG3 MET A 9 8.239 -2.337 -5.537 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.869 0.889 -3.227 1.00 0.00 H new ATOM 0 HE2 MET A 9 5.210 -0.156 -4.509 1.00 0.00 H new ATOM 0 HE3 MET A 9 5.655 -0.853 -2.933 1.00 0.00 H new ATOM 97 N PHE A 10 3.000 -1.492 -4.730 1.00 0.00 N ATOM 98 CA PHE A 10 1.685 -1.092 -5.218 1.00 0.00 C ATOM 99 C PHE A 10 1.516 0.423 -5.148 1.00 0.00 C ATOM 100 O PHE A 10 1.602 1.019 -4.075 1.00 0.00 O ATOM 101 CB PHE A 10 0.586 -1.778 -4.403 1.00 0.00 C ATOM 102 CG PHE A 10 0.401 -3.228 -4.746 1.00 0.00 C ATOM 103 CD1 PHE A 10 1.225 -4.195 -4.193 1.00 0.00 C ATOM 104 CD2 PHE A 10 -0.597 -3.624 -5.622 1.00 0.00 C ATOM 105 CE1 PHE A 10 1.057 -5.530 -4.509 1.00 0.00 C ATOM 106 CE2 PHE A 10 -0.770 -4.958 -5.941 1.00 0.00 C ATOM 107 CZ PHE A 10 0.058 -5.912 -5.382 1.00 0.00 C ATOM 0 H PHE A 10 3.382 -0.887 -4.003 1.00 0.00 H new ATOM 0 HA PHE A 10 1.602 -1.401 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.824 -1.691 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.355 -1.252 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.007 -3.902 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.247 -2.882 -6.061 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.707 -6.274 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.551 -5.254 -6.626 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.076 -6.955 -5.628 1.00 0.00 H new ATOM 117 N VAL A 11 1.275 1.039 -6.301 1.00 0.00 N ATOM 118 CA VAL A 11 1.093 2.484 -6.372 1.00 0.00 C ATOM 119 C VAL A 11 -0.381 2.858 -6.263 1.00 0.00 C ATOM 120 O VAL A 11 -1.260 2.016 -6.440 1.00 0.00 O ATOM 121 CB VAL A 11 1.662 3.057 -7.684 1.00 0.00 C ATOM 122 CG1 VAL A 11 1.989 4.534 -7.524 1.00 0.00 C ATOM 123 CG2 VAL A 11 2.892 2.274 -8.118 1.00 0.00 C ATOM 0 H VAL A 11 1.201 0.560 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 11 1.637 2.914 -5.531 1.00 0.00 H new ATOM 0 HB VAL A 11 0.904 2.959 -8.462 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.390 4.921 -8.461 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.083 5.081 -7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.729 4.659 -6.733 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.281 2.692 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.656 2.338 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.622 1.230 -8.276 1.00 0.00 H new ATOM 133 N ALA A 12 -0.643 4.128 -5.972 1.00 0.00 N ATOM 134 CA ALA A 12 -2.010 4.615 -5.842 1.00 0.00 C ATOM 135 C ALA A 12 -2.471 5.305 -7.121 1.00 0.00 C ATOM 136 O ALA A 12 -3.525 4.980 -7.669 1.00 0.00 O ATOM 137 CB ALA A 12 -2.122 5.564 -4.658 1.00 0.00 C ATOM 0 H ALA A 12 0.074 4.838 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.660 3.757 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.149 5.920 -4.573 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.843 5.040 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.455 6.413 -4.808 1.00 0.00 H new ATOM 143 N LEU A 13 -1.677 6.260 -7.592 1.00 0.00 N ATOM 144 CA LEU A 13 -2.003 6.997 -8.807 1.00 0.00 C ATOM 145 C LEU A 13 -3.342 7.715 -8.666 1.00 0.00 C ATOM 146 O LEU A 13 -4.022 7.984 -9.657 1.00 0.00 O ATOM 147 CB LEU A 13 -2.044 6.049 -10.007 1.00 0.00 C ATOM 148 CG LEU A 13 -0.963 4.969 -10.046 1.00 0.00 C ATOM 149 CD1 LEU A 13 -1.439 3.712 -9.335 1.00 0.00 C ATOM 150 CD2 LEU A 13 -0.573 4.656 -11.483 1.00 0.00 C ATOM 0 H LEU A 13 -0.802 6.542 -7.150 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.226 7.744 -8.968 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.018 5.561 -10.026 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.968 6.644 -10.917 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.082 5.345 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.656 2.954 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.667 3.946 -8.295 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.335 3.333 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.198 3.885 -11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.447 4.301 -12.028 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.189 5.558 -11.960 1.00 0.00 H new ATOM 162 N HIS A 14 -3.714 8.023 -7.427 1.00 0.00 N ATOM 163 CA HIS A 14 -4.971 8.712 -7.156 1.00 0.00 C ATOM 164 C HIS A 14 -4.942 9.374 -5.782 1.00 0.00 C ATOM 165 O HIS A 14 -4.219 8.938 -4.885 1.00 0.00 O ATOM 166 CB HIS A 14 -6.142 7.733 -7.239 1.00 0.00 C ATOM 167 CG HIS A 14 -6.676 7.553 -8.626 1.00 0.00 C ATOM 168 ND1 HIS A 14 -6.803 8.592 -9.524 1.00 0.00 N ATOM 169 CD2 HIS A 14 -7.115 6.446 -9.270 1.00 0.00 C ATOM 170 CE1 HIS A 14 -7.299 8.132 -10.659 1.00 0.00 C ATOM 171 NE2 HIS A 14 -7.497 6.832 -10.531 1.00 0.00 N ATOM 0 H HIS A 14 -3.164 7.807 -6.596 1.00 0.00 H new ATOM 0 HA HIS A 14 -5.102 9.487 -7.911 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -5.823 6.765 -6.853 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.946 8.085 -6.592 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -7.157 5.445 -8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.507 8.719 -11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.873 6.216 -11.252 1.00 0.00 H new ATOM 180 N THR A 15 -5.732 10.431 -5.623 1.00 0.00 N ATOM 181 CA THR A 15 -5.796 11.155 -4.359 1.00 0.00 C ATOM 182 C THR A 15 -7.041 10.771 -3.568 1.00 0.00 C ATOM 183 O THR A 15 -8.142 11.238 -3.860 1.00 0.00 O ATOM 184 CB THR A 15 -5.793 12.679 -4.584 1.00 0.00 C ATOM 185 OG1 THR A 15 -4.914 13.014 -5.663 1.00 0.00 O ATOM 186 CG2 THR A 15 -5.358 13.411 -3.323 1.00 0.00 C ATOM 0 H THR A 15 -6.337 10.805 -6.354 1.00 0.00 H new ATOM 0 HA THR A 15 -4.908 10.878 -3.790 1.00 0.00 H new ATOM 0 HB THR A 15 -6.808 12.989 -4.834 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.920 13.984 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.364 14.486 -3.506 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.047 13.178 -2.511 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.352 13.095 -3.048 1.00 0.00 H new ATOM 194 N TYR A 16 -6.859 9.919 -2.565 1.00 0.00 N ATOM 195 CA TYR A 16 -7.969 9.472 -1.732 1.00 0.00 C ATOM 196 C TYR A 16 -7.854 10.039 -0.320 1.00 0.00 C ATOM 197 O TYR A 16 -6.920 9.721 0.415 1.00 0.00 O ATOM 198 CB TYR A 16 -8.009 7.944 -1.677 1.00 0.00 C ATOM 199 CG TYR A 16 -9.113 7.398 -0.801 1.00 0.00 C ATOM 200 CD1 TYR A 16 -8.924 7.230 0.565 1.00 0.00 C ATOM 201 CD2 TYR A 16 -10.347 7.051 -1.339 1.00 0.00 C ATOM 202 CE1 TYR A 16 -9.930 6.731 1.370 1.00 0.00 C ATOM 203 CE2 TYR A 16 -11.359 6.553 -0.542 1.00 0.00 C ATOM 204 CZ TYR A 16 -11.146 6.394 0.812 1.00 0.00 C ATOM 205 OH TYR A 16 -12.151 5.898 1.610 1.00 0.00 O ATOM 0 H TYR A 16 -5.954 9.524 -2.309 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.894 9.838 -2.177 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.133 7.556 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.051 7.577 -1.310 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -7.974 7.494 1.006 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.517 7.173 -2.399 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.765 6.605 2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -12.312 6.289 -0.976 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.376 6.557 2.300 1.00 0.00 H new ATOM 215 N SER A 17 -8.813 10.882 0.051 1.00 0.00 N ATOM 216 CA SER A 17 -8.819 11.498 1.373 1.00 0.00 C ATOM 217 C SER A 17 -9.460 10.571 2.401 1.00 0.00 C ATOM 218 O SER A 17 -10.671 10.349 2.383 1.00 0.00 O ATOM 219 CB SER A 17 -9.569 12.831 1.334 1.00 0.00 C ATOM 220 OG SER A 17 -10.912 12.649 0.921 1.00 0.00 O ATOM 0 H SER A 17 -9.595 11.154 -0.545 1.00 0.00 H new ATOM 0 HA SER A 17 -7.785 11.679 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.548 13.292 2.321 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.065 13.515 0.652 1.00 0.00 H new ATOM 0 HG SER A 17 -11.261 11.815 1.300 1.00 0.00 H new ATOM 226 N ALA A 18 -8.639 10.032 3.296 1.00 0.00 N ATOM 227 CA ALA A 18 -9.125 9.131 4.333 1.00 0.00 C ATOM 228 C ALA A 18 -10.322 9.729 5.065 1.00 0.00 C ATOM 229 O ALA A 18 -10.264 10.860 5.548 1.00 0.00 O ATOM 230 CB ALA A 18 -8.010 8.809 5.317 1.00 0.00 C ATOM 0 H ALA A 18 -7.634 10.204 3.324 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.450 8.208 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.387 8.135 6.086 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.185 8.331 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.658 9.730 5.782 1.00 0.00 H new ATOM 236 N HIS A 19 -11.406 8.964 5.141 1.00 0.00 N ATOM 237 CA HIS A 19 -12.617 9.420 5.814 1.00 0.00 C ATOM 238 C HIS A 19 -12.747 8.778 7.192 1.00 0.00 C ATOM 239 O HIS A 19 -13.333 9.360 8.105 1.00 0.00 O ATOM 240 CB HIS A 19 -13.849 9.093 4.969 1.00 0.00 C ATOM 241 CG HIS A 19 -14.183 10.152 3.963 1.00 0.00 C ATOM 242 ND1 HIS A 19 -13.234 10.764 3.172 1.00 0.00 N ATOM 243 CD2 HIS A 19 -15.370 10.705 3.622 1.00 0.00 C ATOM 244 CE1 HIS A 19 -13.823 11.649 2.388 1.00 0.00 C ATOM 245 NE2 HIS A 19 -15.120 11.633 2.641 1.00 0.00 N ATOM 0 H HIS A 19 -11.471 8.026 4.745 1.00 0.00 H new ATOM 0 HA HIS A 19 -12.548 10.500 5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -13.683 8.149 4.450 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -14.704 8.948 5.629 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -12.234 10.565 3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -16.334 10.462 4.043 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.329 12.279 1.663 1.00 0.00 H new ATOM 254 N ARG A 20 -12.197 7.577 7.335 1.00 0.00 N ATOM 255 CA ARG A 20 -12.253 6.856 8.601 1.00 0.00 C ATOM 256 C ARG A 20 -10.854 6.661 9.178 1.00 0.00 C ATOM 257 O ARG A 20 -9.847 6.768 8.478 1.00 0.00 O ATOM 258 CB ARG A 20 -12.931 5.499 8.410 1.00 0.00 C ATOM 259 CG ARG A 20 -14.438 5.536 8.611 1.00 0.00 C ATOM 260 CD ARG A 20 -14.974 4.186 9.060 1.00 0.00 C ATOM 261 NE ARG A 20 -15.055 3.235 7.954 1.00 0.00 N ATOM 262 CZ ARG A 20 -15.977 3.294 7.000 1.00 0.00 C ATOM 263 NH1 ARG A 20 -16.891 4.255 7.015 1.00 0.00 N ATOM 264 NH2 ARG A 20 -15.985 2.392 6.027 1.00 0.00 N ATOM 0 H ARG A 20 -11.707 7.082 6.589 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.837 7.451 9.303 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.716 5.133 7.406 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.497 4.784 9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.688 6.293 9.354 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.923 5.830 7.680 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -14.329 3.781 9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.963 4.316 9.499 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.366 2.484 7.912 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.887 4.951 7.761 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.598 4.298 6.281 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -15.283 1.652 6.011 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.694 2.438 5.295 1.00 0.00 H new ATOM 278 N PRO A 21 -10.789 6.369 10.486 1.00 0.00 N ATOM 279 CA PRO A 21 -9.519 6.153 11.186 1.00 0.00 C ATOM 280 C PRO A 21 -8.836 4.857 10.762 1.00 0.00 C ATOM 281 O PRO A 21 -7.786 4.497 11.292 1.00 0.00 O ATOM 282 CB PRO A 21 -9.933 6.083 12.658 1.00 0.00 C ATOM 283 CG PRO A 21 -11.355 5.638 12.630 1.00 0.00 C ATOM 284 CD PRO A 21 -11.949 6.227 11.381 1.00 0.00 C ATOM 0 HA PRO A 21 -8.795 6.939 10.969 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.309 5.381 13.212 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.831 7.053 13.145 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -11.423 4.550 12.619 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.889 5.982 13.516 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.710 5.575 10.952 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.425 7.188 11.577 1.00 0.00 H new ATOM 292 N GLU A 22 -9.440 4.162 9.803 1.00 0.00 N ATOM 293 CA GLU A 22 -8.889 2.905 9.309 1.00 0.00 C ATOM 294 C GLU A 22 -8.468 3.033 7.848 1.00 0.00 C ATOM 295 O GLU A 22 -7.612 2.289 7.372 1.00 0.00 O ATOM 296 CB GLU A 22 -9.914 1.779 9.460 1.00 0.00 C ATOM 297 CG GLU A 22 -11.102 1.908 8.521 1.00 0.00 C ATOM 298 CD GLU A 22 -12.243 0.981 8.893 1.00 0.00 C ATOM 299 OE1 GLU A 22 -12.210 -0.197 8.481 1.00 0.00 O ATOM 300 OE2 GLU A 22 -13.169 1.434 9.598 1.00 0.00 O ATOM 0 H GLU A 22 -10.310 4.448 9.353 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.007 2.665 9.903 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.421 0.824 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.275 1.763 10.489 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.458 2.938 8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.780 1.692 7.502 1.00 0.00 H new ATOM 307 N GLU A 23 -9.078 3.981 7.143 1.00 0.00 N ATOM 308 CA GLU A 23 -8.767 4.205 5.736 1.00 0.00 C ATOM 309 C GLU A 23 -7.375 4.810 5.576 1.00 0.00 C ATOM 310 O GLU A 23 -6.872 5.485 6.475 1.00 0.00 O ATOM 311 CB GLU A 23 -9.812 5.125 5.101 1.00 0.00 C ATOM 312 CG GLU A 23 -11.157 4.455 4.877 1.00 0.00 C ATOM 313 CD GLU A 23 -12.238 5.438 4.472 1.00 0.00 C ATOM 314 OE1 GLU A 23 -11.892 6.525 3.963 1.00 0.00 O ATOM 315 OE2 GLU A 23 -13.430 5.120 4.663 1.00 0.00 O ATOM 0 H GLU A 23 -9.790 4.605 7.523 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.785 3.241 5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.952 5.997 5.740 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.432 5.487 4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.055 3.694 4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.460 3.943 5.790 1.00 0.00 H new ATOM 322 N LEU A 24 -6.759 4.564 4.426 1.00 0.00 N ATOM 323 CA LEU A 24 -5.424 5.084 4.146 1.00 0.00 C ATOM 324 C LEU A 24 -5.473 6.152 3.058 1.00 0.00 C ATOM 325 O LEU A 24 -6.008 5.923 1.973 1.00 0.00 O ATOM 326 CB LEU A 24 -4.492 3.948 3.721 1.00 0.00 C ATOM 327 CG LEU A 24 -3.014 4.127 4.070 1.00 0.00 C ATOM 328 CD1 LEU A 24 -2.187 2.991 3.488 1.00 0.00 C ATOM 329 CD2 LEU A 24 -2.506 5.471 3.567 1.00 0.00 C ATOM 0 H LEU A 24 -7.162 4.008 3.672 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.039 5.539 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.844 3.025 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.577 3.819 2.642 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.911 4.105 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.138 3.135 3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.534 2.042 3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.295 2.981 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.453 5.581 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.622 5.522 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.079 6.274 4.032 1.00 0.00 H new ATOM 341 N ASP A 25 -4.909 7.317 3.355 1.00 0.00 N ATOM 342 CA ASP A 25 -4.885 8.420 2.401 1.00 0.00 C ATOM 343 C ASP A 25 -3.948 8.112 1.238 1.00 0.00 C ATOM 344 O ASP A 25 -2.731 8.031 1.411 1.00 0.00 O ATOM 345 CB ASP A 25 -4.450 9.712 3.094 1.00 0.00 C ATOM 346 CG ASP A 25 -3.369 9.478 4.131 1.00 0.00 C ATOM 347 OD1 ASP A 25 -2.412 8.734 3.832 1.00 0.00 O ATOM 348 OD2 ASP A 25 -3.481 10.038 5.242 1.00 0.00 O ATOM 0 H ASP A 25 -4.462 7.522 4.249 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.893 8.550 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.086 10.417 2.347 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.314 10.173 3.572 1.00 0.00 H new ATOM 353 N LEU A 26 -4.522 7.939 0.052 1.00 0.00 N ATOM 354 CA LEU A 26 -3.738 7.638 -1.141 1.00 0.00 C ATOM 355 C LEU A 26 -3.346 8.918 -1.872 1.00 0.00 C ATOM 356 O LEU A 26 -4.155 9.835 -2.013 1.00 0.00 O ATOM 357 CB LEU A 26 -4.529 6.724 -2.077 1.00 0.00 C ATOM 358 CG LEU A 26 -5.237 5.538 -1.419 1.00 0.00 C ATOM 359 CD1 LEU A 26 -6.102 4.804 -2.431 1.00 0.00 C ATOM 360 CD2 LEU A 26 -4.222 4.591 -0.795 1.00 0.00 C ATOM 0 H LEU A 26 -5.527 8.002 -0.109 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.827 7.127 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.276 7.326 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.849 6.339 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.884 5.918 -0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.597 3.964 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.853 5.486 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.477 4.435 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.743 3.753 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.550 4.218 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.645 5.123 -0.038 1.00 0.00 H new ATOM 372 N GLN A 27 -2.102 8.971 -2.336 1.00 0.00 N ATOM 373 CA GLN A 27 -1.604 10.138 -3.054 1.00 0.00 C ATOM 374 C GLN A 27 -1.130 9.756 -4.452 1.00 0.00 C ATOM 375 O GLN A 27 -0.212 8.951 -4.610 1.00 0.00 O ATOM 376 CB GLN A 27 -0.462 10.793 -2.277 1.00 0.00 C ATOM 377 CG GLN A 27 -0.918 11.521 -1.022 1.00 0.00 C ATOM 378 CD GLN A 27 -1.669 10.618 -0.064 1.00 0.00 C ATOM 379 OE1 GLN A 27 -2.900 10.620 -0.027 1.00 0.00 O ATOM 380 NE2 GLN A 27 -0.931 9.839 0.717 1.00 0.00 N ATOM 0 H GLN A 27 -1.421 8.220 -2.228 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.424 10.850 -3.150 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.263 10.028 -2.000 1.00 0.00 H new ATOM 0 HB3 GLN A 27 0.052 11.499 -2.929 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.050 11.941 -0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.558 12.357 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.087 9.870 0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.381 9.209 1.381 1.00 0.00 H new ATOM 389 N LYS A 28 -1.762 10.337 -5.466 1.00 0.00 N ATOM 390 CA LYS A 28 -1.405 10.059 -6.852 1.00 0.00 C ATOM 391 C LYS A 28 0.107 10.118 -7.047 1.00 0.00 C ATOM 392 O LYS A 28 0.676 11.191 -7.237 1.00 0.00 O ATOM 393 CB LYS A 28 -2.090 11.058 -7.787 1.00 0.00 C ATOM 394 CG LYS A 28 -2.376 10.500 -9.170 1.00 0.00 C ATOM 395 CD LYS A 28 -2.381 11.594 -10.224 1.00 0.00 C ATOM 396 CE LYS A 28 -2.308 11.016 -11.629 1.00 0.00 C ATOM 397 NZ LYS A 28 -3.565 10.313 -12.005 1.00 0.00 N ATOM 0 H LYS A 28 -2.525 11.004 -5.354 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.746 9.052 -7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.027 11.382 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.460 11.942 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.624 9.753 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.341 9.993 -9.166 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.286 12.194 -10.123 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.536 12.262 -10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.113 11.817 -12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.470 10.322 -11.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.463 9.904 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.756 9.554 -11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.355 10.989 -12.002 1.00 0.00 H new ATOM 411 N GLY A 29 0.751 8.955 -6.999 1.00 0.00 N ATOM 412 CA GLY A 29 2.190 8.897 -7.173 1.00 0.00 C ATOM 413 C GLY A 29 2.914 8.517 -5.896 1.00 0.00 C ATOM 414 O GLY A 29 4.020 8.990 -5.639 1.00 0.00 O ATOM 0 H GLY A 29 0.301 8.053 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.430 8.173 -7.952 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.551 9.866 -7.517 1.00 0.00 H new ATOM 418 N GLU A 30 2.287 7.662 -5.095 1.00 0.00 N ATOM 419 CA GLU A 30 2.878 7.221 -3.837 1.00 0.00 C ATOM 420 C GLU A 30 3.060 5.706 -3.822 1.00 0.00 C ATOM 421 O GLU A 30 2.197 4.962 -4.286 1.00 0.00 O ATOM 422 CB GLU A 30 2.004 7.653 -2.658 1.00 0.00 C ATOM 423 CG GLU A 30 0.912 6.654 -2.312 1.00 0.00 C ATOM 424 CD GLU A 30 0.174 7.014 -1.038 1.00 0.00 C ATOM 425 OE1 GLU A 30 0.307 8.170 -0.582 1.00 0.00 O ATOM 426 OE2 GLU A 30 -0.536 6.142 -0.496 1.00 0.00 O ATOM 0 H GLU A 30 1.371 7.261 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 30 3.859 7.688 -3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.637 7.804 -1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.545 8.614 -2.890 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.201 6.599 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.352 5.663 -2.204 1.00 0.00 H new ATOM 433 N GLY A 31 4.190 5.257 -3.286 1.00 0.00 N ATOM 434 CA GLY A 31 4.466 3.833 -3.221 1.00 0.00 C ATOM 435 C GLY A 31 3.882 3.186 -1.981 1.00 0.00 C ATOM 436 O GLY A 31 4.342 3.436 -0.867 1.00 0.00 O ATOM 0 H GLY A 31 4.920 5.853 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.059 3.346 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.544 3.674 -3.237 1.00 0.00 H new ATOM 440 N ILE A 32 2.865 2.352 -2.174 1.00 0.00 N ATOM 441 CA ILE A 32 2.218 1.667 -1.062 1.00 0.00 C ATOM 442 C ILE A 32 2.657 0.209 -0.983 1.00 0.00 C ATOM 443 O ILE A 32 2.972 -0.411 -1.999 1.00 0.00 O ATOM 444 CB ILE A 32 0.684 1.724 -1.182 1.00 0.00 C ATOM 445 CG1 ILE A 32 0.212 3.176 -1.287 1.00 0.00 C ATOM 446 CG2 ILE A 32 0.033 1.035 0.008 1.00 0.00 C ATOM 447 CD1 ILE A 32 -1.075 3.338 -2.066 1.00 0.00 C ATOM 0 H ILE A 32 2.472 2.135 -3.090 1.00 0.00 H new ATOM 0 HA ILE A 32 2.523 2.185 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 32 0.386 1.198 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.073 3.578 -0.283 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.992 3.770 -1.763 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.051 1.084 -0.092 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.348 -0.008 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.336 1.535 0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.350 4.392 -2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.935 2.967 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.869 2.772 -1.579 1.00 0.00 H new ATOM 459 N ARG A 33 2.674 -0.333 0.230 1.00 0.00 N ATOM 460 CA ARG A 33 3.074 -1.719 0.441 1.00 0.00 C ATOM 461 C ARG A 33 1.921 -2.536 1.017 1.00 0.00 C ATOM 462 O ARG A 33 1.602 -2.431 2.201 1.00 0.00 O ATOM 463 CB ARG A 33 4.279 -1.787 1.381 1.00 0.00 C ATOM 464 CG ARG A 33 5.163 -3.002 1.151 1.00 0.00 C ATOM 465 CD ARG A 33 6.439 -2.927 1.975 1.00 0.00 C ATOM 466 NE ARG A 33 7.351 -4.027 1.673 1.00 0.00 N ATOM 467 CZ ARG A 33 7.187 -5.264 2.130 1.00 0.00 C ATOM 468 NH1 ARG A 33 6.151 -5.556 2.905 1.00 0.00 N ATOM 469 NH2 ARG A 33 8.060 -6.211 1.812 1.00 0.00 N ATOM 0 H ARG A 33 2.416 0.166 1.081 1.00 0.00 H new ATOM 0 HA ARG A 33 3.350 -2.142 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.877 -0.884 1.257 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.925 -1.796 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.614 -3.907 1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.416 -3.075 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.939 -1.978 1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.187 -2.945 3.035 1.00 0.00 H new ATOM 0 HE ARG A 33 8.158 -3.835 1.079 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.478 -4.830 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.027 -6.506 3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.858 -5.990 1.216 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.933 -7.160 2.163 1.00 0.00 H new ATOM 483 N VAL A 34 1.298 -3.350 0.170 1.00 0.00 N ATOM 484 CA VAL A 34 0.181 -4.185 0.594 1.00 0.00 C ATOM 485 C VAL A 34 0.634 -5.245 1.591 1.00 0.00 C ATOM 486 O VAL A 34 1.455 -6.105 1.270 1.00 0.00 O ATOM 487 CB VAL A 34 -0.489 -4.879 -0.607 1.00 0.00 C ATOM 488 CG1 VAL A 34 -1.391 -6.009 -0.137 1.00 0.00 C ATOM 489 CG2 VAL A 34 -1.271 -3.871 -1.436 1.00 0.00 C ATOM 0 H VAL A 34 1.548 -3.449 -0.814 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.542 -3.525 1.073 1.00 0.00 H new ATOM 0 HB VAL A 34 0.290 -5.308 -1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.855 -6.487 -1.000 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.799 -6.743 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.166 -5.608 0.516 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.738 -4.378 -2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.042 -3.411 -0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.594 -3.100 -1.805 1.00 0.00 H new ATOM 499 N LEU A 35 0.094 -5.179 2.803 1.00 0.00 N ATOM 500 CA LEU A 35 0.442 -6.134 3.849 1.00 0.00 C ATOM 501 C LEU A 35 -0.618 -7.224 3.967 1.00 0.00 C ATOM 502 O LEU A 35 -0.368 -8.385 3.647 1.00 0.00 O ATOM 503 CB LEU A 35 0.602 -5.415 5.190 1.00 0.00 C ATOM 504 CG LEU A 35 1.140 -3.985 5.126 1.00 0.00 C ATOM 505 CD1 LEU A 35 0.587 -3.155 6.273 1.00 0.00 C ATOM 506 CD2 LEU A 35 2.662 -3.986 5.150 1.00 0.00 C ATOM 0 H LEU A 35 -0.587 -4.474 3.086 1.00 0.00 H new ATOM 0 HA LEU A 35 1.389 -6.602 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.368 -5.395 5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.269 -6.005 5.818 1.00 0.00 H new ATOM 0 HG LEU A 35 0.812 -3.535 4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.981 -2.141 6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.501 -3.126 6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.884 -3.602 7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.027 -2.960 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.011 -4.454 6.070 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.039 -4.544 4.293 1.00 0.00 H new ATOM 518 N GLY A 36 -1.806 -6.840 4.426 1.00 0.00 N ATOM 519 CA GLY A 36 -2.887 -7.796 4.576 1.00 0.00 C ATOM 520 C GLY A 36 -3.942 -7.652 3.496 1.00 0.00 C ATOM 521 O GLY A 36 -3.882 -6.734 2.678 1.00 0.00 O ATOM 0 H GLY A 36 -2.038 -5.884 4.696 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.480 -8.807 4.550 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.351 -7.664 5.553 1.00 0.00 H new ATOM 525 N LYS A 37 -4.909 -8.562 3.491 1.00 0.00 N ATOM 526 CA LYS A 37 -5.982 -8.534 2.504 1.00 0.00 C ATOM 527 C LYS A 37 -7.344 -8.445 3.183 1.00 0.00 C ATOM 528 O LYS A 37 -7.823 -9.418 3.768 1.00 0.00 O ATOM 529 CB LYS A 37 -5.922 -9.782 1.620 1.00 0.00 C ATOM 530 CG LYS A 37 -7.038 -9.854 0.592 1.00 0.00 C ATOM 531 CD LYS A 37 -6.772 -10.932 -0.445 1.00 0.00 C ATOM 532 CE LYS A 37 -7.985 -11.162 -1.333 1.00 0.00 C ATOM 533 NZ LYS A 37 -9.010 -12.010 -0.663 1.00 0.00 N ATOM 0 H LYS A 37 -4.972 -9.329 4.160 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.847 -7.649 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.962 -9.806 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.965 -10.668 2.253 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -7.984 -10.056 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.140 -8.889 0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.919 -10.645 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.505 -11.862 0.056 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.426 -10.202 -1.601 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.670 -11.638 -2.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.821 -12.143 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.597 -12.935 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.329 -11.544 0.210 1.00 0.00 H new ATOM 547 N TYR A 38 -7.965 -7.273 3.101 1.00 0.00 N ATOM 548 CA TYR A 38 -9.273 -7.057 3.709 1.00 0.00 C ATOM 549 C TYR A 38 -10.320 -7.978 3.091 1.00 0.00 C ATOM 550 O TYR A 38 -10.878 -8.843 3.767 1.00 0.00 O ATOM 551 CB TYR A 38 -9.700 -5.598 3.545 1.00 0.00 C ATOM 552 CG TYR A 38 -10.635 -5.114 4.630 1.00 0.00 C ATOM 553 CD1 TYR A 38 -10.263 -5.164 5.968 1.00 0.00 C ATOM 554 CD2 TYR A 38 -11.891 -4.609 4.318 1.00 0.00 C ATOM 555 CE1 TYR A 38 -11.114 -4.724 6.963 1.00 0.00 C ATOM 556 CE2 TYR A 38 -12.749 -4.166 5.306 1.00 0.00 C ATOM 557 CZ TYR A 38 -12.356 -4.226 6.627 1.00 0.00 C ATOM 558 OH TYR A 38 -13.208 -3.787 7.615 1.00 0.00 O ATOM 0 H TYR A 38 -7.584 -6.458 2.620 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.194 -7.288 4.771 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.811 -4.967 3.535 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.187 -5.478 2.577 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.292 -5.554 6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -12.202 -4.562 3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.809 -4.770 7.998 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.722 -3.775 5.046 1.00 0.00 H new ATOM 0 HH TYR A 38 -14.041 -3.466 7.210 1.00 0.00 H new ATOM 568 N GLN A 39 -10.580 -7.786 1.802 1.00 0.00 N ATOM 569 CA GLN A 39 -11.560 -8.599 1.091 1.00 0.00 C ATOM 570 C GLN A 39 -11.568 -8.266 -0.397 1.00 0.00 C ATOM 571 O GLN A 39 -10.882 -7.345 -0.840 1.00 0.00 O ATOM 572 CB GLN A 39 -12.956 -8.385 1.681 1.00 0.00 C ATOM 573 CG GLN A 39 -13.444 -6.949 1.581 1.00 0.00 C ATOM 574 CD GLN A 39 -14.744 -6.721 2.327 1.00 0.00 C ATOM 575 OE1 GLN A 39 -15.828 -6.978 1.802 1.00 0.00 O ATOM 576 NE2 GLN A 39 -14.643 -6.236 3.559 1.00 0.00 N ATOM 0 H GLN A 39 -10.126 -7.075 1.229 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.280 -9.646 1.209 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.663 -9.037 1.167 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -12.949 -8.686 2.729 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.680 -6.281 1.978 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -13.581 -6.688 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -13.724 -6.037 3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -15.484 -6.062 4.109 1.00 0.00 H new ATOM 585 N ASP A 40 -12.346 -9.022 -1.163 1.00 0.00 N ATOM 586 CA ASP A 40 -12.443 -8.807 -2.602 1.00 0.00 C ATOM 587 C ASP A 40 -12.779 -7.351 -2.913 1.00 0.00 C ATOM 588 O ASP A 40 -13.928 -6.929 -2.791 1.00 0.00 O ATOM 589 CB ASP A 40 -13.504 -9.728 -3.207 1.00 0.00 C ATOM 590 CG ASP A 40 -12.999 -11.144 -3.402 1.00 0.00 C ATOM 591 OD1 ASP A 40 -12.049 -11.332 -4.191 1.00 0.00 O ATOM 592 OD2 ASP A 40 -13.552 -12.064 -2.764 1.00 0.00 O ATOM 0 H ASP A 40 -12.919 -9.789 -0.812 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.475 -9.041 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.380 -9.744 -2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.826 -9.325 -4.167 1.00 0.00 H new ATOM 597 N GLY A 41 -11.766 -6.588 -3.314 1.00 0.00 N ATOM 598 CA GLY A 41 -11.974 -5.188 -3.634 1.00 0.00 C ATOM 599 C GLY A 41 -11.243 -4.261 -2.684 1.00 0.00 C ATOM 600 O GLY A 41 -10.896 -3.137 -3.047 1.00 0.00 O ATOM 0 H GLY A 41 -10.806 -6.915 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.637 -4.998 -4.653 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -13.041 -4.966 -3.604 1.00 0.00 H new ATOM 604 N TRP A 42 -11.009 -4.732 -1.464 1.00 0.00 N ATOM 605 CA TRP A 42 -10.316 -3.936 -0.458 1.00 0.00 C ATOM 606 C TRP A 42 -9.080 -4.665 0.056 1.00 0.00 C ATOM 607 O TRP A 42 -9.116 -5.872 0.301 1.00 0.00 O ATOM 608 CB TRP A 42 -11.255 -3.616 0.706 1.00 0.00 C ATOM 609 CG TRP A 42 -12.381 -2.702 0.327 1.00 0.00 C ATOM 610 CD1 TRP A 42 -13.643 -3.068 -0.047 1.00 0.00 C ATOM 611 CD2 TRP A 42 -12.346 -1.272 0.282 1.00 0.00 C ATOM 612 NE1 TRP A 42 -14.394 -1.950 -0.321 1.00 0.00 N ATOM 613 CE2 TRP A 42 -13.622 -0.836 -0.126 1.00 0.00 C ATOM 614 CE3 TRP A 42 -11.362 -0.316 0.549 1.00 0.00 C ATOM 615 CZ2 TRP A 42 -13.936 0.512 -0.273 1.00 0.00 C ATOM 616 CZ3 TRP A 42 -11.675 1.022 0.402 1.00 0.00 C ATOM 617 CH2 TRP A 42 -12.953 1.426 -0.005 1.00 0.00 C ATOM 0 H TRP A 42 -11.289 -5.661 -1.148 1.00 0.00 H new ATOM 0 HA TRP A 42 -9.998 -3.004 -0.925 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.667 -4.546 1.097 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.681 -3.159 1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -13.998 -4.086 -0.117 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -15.369 -1.950 -0.621 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.374 -0.618 0.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.920 0.826 -0.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.922 1.769 0.604 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.167 2.479 -0.109 1.00 0.00 H new ATOM 628 N LEU A 43 -7.987 -3.927 0.219 1.00 0.00 N ATOM 629 CA LEU A 43 -6.739 -4.505 0.705 1.00 0.00 C ATOM 630 C LEU A 43 -6.088 -3.598 1.745 1.00 0.00 C ATOM 631 O LEU A 43 -6.380 -2.404 1.814 1.00 0.00 O ATOM 632 CB LEU A 43 -5.775 -4.739 -0.459 1.00 0.00 C ATOM 633 CG LEU A 43 -6.383 -5.355 -1.720 1.00 0.00 C ATOM 634 CD1 LEU A 43 -5.444 -5.183 -2.904 1.00 0.00 C ATOM 635 CD2 LEU A 43 -6.697 -6.827 -1.496 1.00 0.00 C ATOM 0 H LEU A 43 -7.940 -2.927 0.022 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.969 -5.461 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.322 -3.784 -0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.970 -5.388 -0.113 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.315 -4.835 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.893 -5.627 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.269 -4.121 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.496 -5.677 -2.691 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.129 -7.249 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.780 -7.361 -1.248 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.408 -6.927 -0.676 1.00 0.00 H new ATOM 647 N LYS A 44 -5.201 -4.172 2.551 1.00 0.00 N ATOM 648 CA LYS A 44 -4.504 -3.416 3.585 1.00 0.00 C ATOM 649 C LYS A 44 -3.035 -3.226 3.223 1.00 0.00 C ATOM 650 O LYS A 44 -2.330 -4.189 2.922 1.00 0.00 O ATOM 651 CB LYS A 44 -4.620 -4.130 4.933 1.00 0.00 C ATOM 652 CG LYS A 44 -3.745 -3.527 6.018 1.00 0.00 C ATOM 653 CD LYS A 44 -4.033 -4.146 7.375 1.00 0.00 C ATOM 654 CE LYS A 44 -3.637 -3.213 8.509 1.00 0.00 C ATOM 655 NZ LYS A 44 -3.788 -3.862 9.841 1.00 0.00 N ATOM 0 H LYS A 44 -4.948 -5.159 2.508 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.971 -2.434 3.660 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.659 -4.104 5.260 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.353 -5.179 4.803 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.695 -3.676 5.765 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.912 -2.451 6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.094 -4.382 7.450 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.490 -5.086 7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.603 -2.897 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.252 -2.314 8.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.508 -3.193 10.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.780 -4.141 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.181 -4.705 9.887 1.00 0.00 H new ATOM 669 N GLY A 45 -2.578 -1.978 3.256 1.00 0.00 N ATOM 670 CA GLY A 45 -1.194 -1.685 2.931 1.00 0.00 C ATOM 671 C GLY A 45 -0.664 -0.480 3.683 1.00 0.00 C ATOM 672 O GLY A 45 -1.434 0.288 4.261 1.00 0.00 O ATOM 0 H GLY A 45 -3.142 -1.164 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.578 -2.554 3.163 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.105 -1.508 1.859 1.00 0.00 H new ATOM 676 N LEU A 46 0.654 -0.314 3.676 1.00 0.00 N ATOM 677 CA LEU A 46 1.287 0.806 4.364 1.00 0.00 C ATOM 678 C LEU A 46 1.931 1.764 3.367 1.00 0.00 C ATOM 679 O LEU A 46 2.928 1.430 2.727 1.00 0.00 O ATOM 680 CB LEU A 46 2.338 0.295 5.351 1.00 0.00 C ATOM 681 CG LEU A 46 3.310 1.342 5.898 1.00 0.00 C ATOM 682 CD1 LEU A 46 4.410 1.629 4.888 1.00 0.00 C ATOM 683 CD2 LEU A 46 2.568 2.621 6.260 1.00 0.00 C ATOM 0 H LEU A 46 1.305 -0.940 3.202 1.00 0.00 H new ATOM 0 HA LEU A 46 0.516 1.347 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.823 -0.168 6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.917 -0.488 4.862 1.00 0.00 H new ATOM 0 HG LEU A 46 3.771 0.945 6.802 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.092 2.376 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.960 0.712 4.679 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.968 2.005 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.275 3.355 6.647 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.079 3.022 5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.818 2.404 7.020 1.00 0.00 H new ATOM 695 N SER A 47 1.357 2.956 3.243 1.00 0.00 N ATOM 696 CA SER A 47 1.874 3.962 2.323 1.00 0.00 C ATOM 697 C SER A 47 3.326 4.300 2.648 1.00 0.00 C ATOM 698 O SER A 47 3.620 4.886 3.691 1.00 0.00 O ATOM 699 CB SER A 47 1.017 5.228 2.384 1.00 0.00 C ATOM 700 OG SER A 47 1.252 6.056 1.258 1.00 0.00 O ATOM 0 H SER A 47 0.533 3.249 3.768 1.00 0.00 H new ATOM 0 HA SER A 47 1.832 3.552 1.314 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.038 4.956 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.240 5.779 3.298 1.00 0.00 H new ATOM 0 HG SER A 47 1.110 6.993 1.506 1.00 0.00 H new ATOM 706 N LEU A 48 4.229 3.927 1.749 1.00 0.00 N ATOM 707 CA LEU A 48 5.652 4.190 1.939 1.00 0.00 C ATOM 708 C LEU A 48 5.944 5.686 1.862 1.00 0.00 C ATOM 709 O LEU A 48 7.026 6.138 2.237 1.00 0.00 O ATOM 710 CB LEU A 48 6.473 3.444 0.887 1.00 0.00 C ATOM 711 CG LEU A 48 6.137 1.964 0.698 1.00 0.00 C ATOM 712 CD1 LEU A 48 6.499 1.510 -0.708 1.00 0.00 C ATOM 713 CD2 LEU A 48 6.858 1.117 1.737 1.00 0.00 C ATOM 0 H LEU A 48 4.002 3.442 0.881 1.00 0.00 H new ATOM 0 HA LEU A 48 5.933 3.834 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.346 3.950 -0.070 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.527 3.526 1.153 1.00 0.00 H new ATOM 0 HG LEU A 48 5.063 1.834 0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.253 0.455 -0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.937 2.096 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.567 1.654 -0.873 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.607 0.067 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.935 1.252 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.549 1.425 2.736 1.00 0.00 H new ATOM 725 N LEU A 49 4.971 6.449 1.375 1.00 0.00 N ATOM 726 CA LEU A 49 5.122 7.894 1.251 1.00 0.00 C ATOM 727 C LEU A 49 4.856 8.586 2.584 1.00 0.00 C ATOM 728 O LEU A 49 5.771 9.119 3.213 1.00 0.00 O ATOM 729 CB LEU A 49 4.170 8.437 0.183 1.00 0.00 C ATOM 730 CG LEU A 49 4.170 9.954 -0.007 1.00 0.00 C ATOM 731 CD1 LEU A 49 3.779 10.312 -1.432 1.00 0.00 C ATOM 732 CD2 LEU A 49 3.230 10.616 0.989 1.00 0.00 C ATOM 0 H LEU A 49 4.070 6.091 1.060 1.00 0.00 H new ATOM 0 HA LEU A 49 6.150 8.102 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.422 7.972 -0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.157 8.122 0.434 1.00 0.00 H new ATOM 0 HG LEU A 49 5.179 10.325 0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.784 11.396 -1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.492 9.868 -2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.780 9.929 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.243 11.696 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.218 10.241 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.555 10.387 2.004 1.00 0.00 H new ATOM 744 N THR A 50 3.598 8.572 3.012 1.00 0.00 N ATOM 745 CA THR A 50 3.211 9.196 4.271 1.00 0.00 C ATOM 746 C THR A 50 3.603 8.326 5.459 1.00 0.00 C ATOM 747 O THR A 50 4.123 8.821 6.459 1.00 0.00 O ATOM 748 CB THR A 50 1.695 9.464 4.323 1.00 0.00 C ATOM 749 OG1 THR A 50 0.983 8.356 3.760 1.00 0.00 O ATOM 750 CG2 THR A 50 1.343 10.736 3.567 1.00 0.00 C ATOM 0 H THR A 50 2.829 8.135 2.505 1.00 0.00 H new ATOM 0 HA THR A 50 3.742 10.146 4.329 1.00 0.00 H new ATOM 0 HB THR A 50 1.406 9.590 5.367 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.020 8.533 3.798 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.267 10.904 3.618 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.864 11.582 4.016 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.645 10.635 2.525 1.00 0.00 H new ATOM 758 N GLY A 51 3.351 7.026 5.344 1.00 0.00 N ATOM 759 CA GLY A 51 3.685 6.108 6.417 1.00 0.00 C ATOM 760 C GLY A 51 2.469 5.681 7.215 1.00 0.00 C ATOM 761 O GLY A 51 2.585 5.293 8.378 1.00 0.00 O ATOM 0 H GLY A 51 2.921 6.592 4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.169 5.226 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.406 6.581 7.084 1.00 0.00 H new ATOM 765 N ARG A 52 1.298 5.753 6.590 1.00 0.00 N ATOM 766 CA ARG A 52 0.055 5.374 7.250 1.00 0.00 C ATOM 767 C ARG A 52 -0.424 4.009 6.764 1.00 0.00 C ATOM 768 O ARG A 52 -0.135 3.602 5.638 1.00 0.00 O ATOM 769 CB ARG A 52 -1.025 6.426 6.995 1.00 0.00 C ATOM 770 CG ARG A 52 -0.548 7.853 7.212 1.00 0.00 C ATOM 771 CD ARG A 52 -0.213 8.112 8.672 1.00 0.00 C ATOM 772 NE ARG A 52 -1.388 7.999 9.532 1.00 0.00 N ATOM 773 CZ ARG A 52 -1.454 8.507 10.758 1.00 0.00 C ATOM 774 NH1 ARG A 52 -0.418 9.160 11.265 1.00 0.00 N ATOM 775 NH2 ARG A 52 -2.559 8.362 11.479 1.00 0.00 N ATOM 0 H ARG A 52 1.185 6.070 5.627 1.00 0.00 H new ATOM 0 HA ARG A 52 0.246 5.313 8.321 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.385 6.324 5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.873 6.231 7.652 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.332 8.041 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.320 8.550 6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.546 7.403 9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.216 9.109 8.774 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.203 7.503 9.172 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.433 9.274 10.714 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.471 9.549 12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.358 7.860 11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.609 8.752 12.420 1.00 0.00 H new ATOM 789 N THR A 53 -1.159 3.306 7.620 1.00 0.00 N ATOM 790 CA THR A 53 -1.678 1.987 7.279 1.00 0.00 C ATOM 791 C THR A 53 -3.200 1.958 7.355 1.00 0.00 C ATOM 792 O THR A 53 -3.783 2.210 8.409 1.00 0.00 O ATOM 793 CB THR A 53 -1.107 0.901 8.211 1.00 0.00 C ATOM 794 OG1 THR A 53 0.293 1.119 8.417 1.00 0.00 O ATOM 795 CG2 THR A 53 -1.330 -0.485 7.626 1.00 0.00 C ATOM 0 H THR A 53 -1.408 3.628 8.555 1.00 0.00 H new ATOM 0 HA THR A 53 -1.365 1.779 6.256 1.00 0.00 H new ATOM 0 HB THR A 53 -1.628 0.962 9.167 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.648 0.426 9.012 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.919 -1.235 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.399 -0.658 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.833 -0.556 6.659 1.00 0.00 H new ATOM 803 N GLY A 54 -3.838 1.648 6.231 1.00 0.00 N ATOM 804 CA GLY A 54 -5.288 1.591 6.192 1.00 0.00 C ATOM 805 C GLY A 54 -5.804 0.664 5.109 1.00 0.00 C ATOM 806 O GLY A 54 -5.032 -0.075 4.497 1.00 0.00 O ATOM 0 H GLY A 54 -3.377 1.435 5.346 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.661 1.257 7.160 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.683 2.593 6.027 1.00 0.00 H new ATOM 810 N ILE A 55 -7.110 0.702 4.873 1.00 0.00 N ATOM 811 CA ILE A 55 -7.727 -0.141 3.857 1.00 0.00 C ATOM 812 C ILE A 55 -8.064 0.662 2.606 1.00 0.00 C ATOM 813 O ILE A 55 -8.819 1.633 2.662 1.00 0.00 O ATOM 814 CB ILE A 55 -9.011 -0.810 4.384 1.00 0.00 C ATOM 815 CG1 ILE A 55 -9.915 0.227 5.053 1.00 0.00 C ATOM 816 CG2 ILE A 55 -8.665 -1.926 5.359 1.00 0.00 C ATOM 817 CD1 ILE A 55 -11.264 -0.321 5.462 1.00 0.00 C ATOM 0 H ILE A 55 -7.762 1.308 5.372 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.000 -0.914 3.605 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.549 -1.244 3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.410 0.622 5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -10.064 1.063 4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.582 -2.389 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.056 -2.675 4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -8.108 -1.514 6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.851 0.469 5.929 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.789 -0.690 4.581 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.125 -1.137 6.171 1.00 0.00 H new ATOM 829 N PHE A 56 -7.499 0.250 1.475 1.00 0.00 N ATOM 830 CA PHE A 56 -7.739 0.930 0.208 1.00 0.00 C ATOM 831 C PHE A 56 -8.260 -0.045 -0.843 1.00 0.00 C ATOM 832 O PHE A 56 -8.029 -1.253 -0.774 1.00 0.00 O ATOM 833 CB PHE A 56 -6.455 1.596 -0.289 1.00 0.00 C ATOM 834 CG PHE A 56 -5.240 0.720 -0.168 1.00 0.00 C ATOM 835 CD1 PHE A 56 -5.091 -0.395 -0.977 1.00 0.00 C ATOM 836 CD2 PHE A 56 -4.249 1.012 0.754 1.00 0.00 C ATOM 837 CE1 PHE A 56 -3.974 -1.202 -0.869 1.00 0.00 C ATOM 838 CE2 PHE A 56 -3.130 0.208 0.867 1.00 0.00 C ATOM 839 CZ PHE A 56 -2.993 -0.901 0.055 1.00 0.00 C ATOM 0 H PHE A 56 -6.872 -0.552 1.411 1.00 0.00 H new ATOM 0 HA PHE A 56 -8.496 1.696 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.584 1.882 -1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.289 2.514 0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.856 -0.636 -1.700 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.351 1.877 1.392 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -3.869 -2.067 -1.507 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.364 0.447 1.590 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.120 -1.531 0.143 1.00 0.00 H new ATOM 849 N PRO A 57 -8.980 0.489 -1.841 1.00 0.00 N ATOM 850 CA PRO A 57 -9.549 -0.316 -2.926 1.00 0.00 C ATOM 851 C PRO A 57 -8.478 -0.866 -3.862 1.00 0.00 C ATOM 852 O PRO A 57 -7.599 -0.132 -4.315 1.00 0.00 O ATOM 853 CB PRO A 57 -10.450 0.674 -3.667 1.00 0.00 C ATOM 854 CG PRO A 57 -9.863 2.012 -3.375 1.00 0.00 C ATOM 855 CD PRO A 57 -9.294 1.920 -1.986 1.00 0.00 C ATOM 0 HA PRO A 57 -10.076 -1.193 -2.550 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.463 0.472 -4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.481 0.609 -3.318 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.088 2.264 -4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.621 2.793 -3.435 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -8.405 2.540 -1.874 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -10.011 2.252 -1.235 1.00 0.00 H new ATOM 863 N SER A 58 -8.558 -2.161 -4.149 1.00 0.00 N ATOM 864 CA SER A 58 -7.593 -2.810 -5.029 1.00 0.00 C ATOM 865 C SER A 58 -7.564 -2.133 -6.396 1.00 0.00 C ATOM 866 O SER A 58 -6.533 -2.113 -7.069 1.00 0.00 O ATOM 867 CB SER A 58 -7.933 -4.293 -5.189 1.00 0.00 C ATOM 868 OG SER A 58 -9.218 -4.462 -5.762 1.00 0.00 O ATOM 0 H SER A 58 -9.281 -2.782 -3.785 1.00 0.00 H new ATOM 0 HA SER A 58 -6.606 -2.718 -4.576 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.185 -4.775 -5.818 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.897 -4.785 -4.217 1.00 0.00 H new ATOM 0 HG SER A 58 -9.411 -5.418 -5.856 1.00 0.00 H new ATOM 874 N ASP A 59 -8.702 -1.580 -6.800 1.00 0.00 N ATOM 875 CA ASP A 59 -8.808 -0.901 -8.086 1.00 0.00 C ATOM 876 C ASP A 59 -7.888 0.315 -8.136 1.00 0.00 C ATOM 877 O ASP A 59 -7.475 0.749 -9.211 1.00 0.00 O ATOM 878 CB ASP A 59 -10.254 -0.473 -8.342 1.00 0.00 C ATOM 879 CG ASP A 59 -11.090 -1.586 -8.942 1.00 0.00 C ATOM 880 OD1 ASP A 59 -10.918 -1.875 -10.145 1.00 0.00 O ATOM 881 OD2 ASP A 59 -11.915 -2.169 -8.209 1.00 0.00 O ATOM 0 H ASP A 59 -9.564 -1.589 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.500 -1.599 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.705 -0.149 -7.404 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.262 0.386 -9.013 1.00 0.00 H new ATOM 886 N TYR A 60 -7.572 0.860 -6.966 1.00 0.00 N ATOM 887 CA TYR A 60 -6.704 2.028 -6.877 1.00 0.00 C ATOM 888 C TYR A 60 -5.235 1.615 -6.870 1.00 0.00 C ATOM 889 O TYR A 60 -4.352 2.414 -7.184 1.00 0.00 O ATOM 890 CB TYR A 60 -7.025 2.833 -5.617 1.00 0.00 C ATOM 891 CG TYR A 60 -8.231 3.733 -5.764 1.00 0.00 C ATOM 892 CD1 TYR A 60 -9.454 3.226 -6.186 1.00 0.00 C ATOM 893 CD2 TYR A 60 -8.148 5.090 -5.479 1.00 0.00 C ATOM 894 CE1 TYR A 60 -10.558 4.044 -6.323 1.00 0.00 C ATOM 895 CE2 TYR A 60 -9.248 5.916 -5.611 1.00 0.00 C ATOM 896 CZ TYR A 60 -10.450 5.389 -6.033 1.00 0.00 C ATOM 897 OH TYR A 60 -11.548 6.207 -6.167 1.00 0.00 O ATOM 0 H TYR A 60 -7.904 0.512 -6.067 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.884 2.651 -7.753 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.195 2.144 -4.789 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.159 3.440 -5.354 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -9.543 2.173 -6.411 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.208 5.507 -5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -11.500 3.634 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.166 6.969 -5.385 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.304 7.124 -5.923 1.00 0.00 H new ATOM 907 N VAL A 61 -4.981 0.361 -6.510 1.00 0.00 N ATOM 908 CA VAL A 61 -3.620 -0.160 -6.464 1.00 0.00 C ATOM 909 C VAL A 61 -3.443 -1.322 -7.435 1.00 0.00 C ATOM 910 O VAL A 61 -4.160 -2.321 -7.360 1.00 0.00 O ATOM 911 CB VAL A 61 -3.247 -0.629 -5.045 1.00 0.00 C ATOM 912 CG1 VAL A 61 -3.115 0.560 -4.106 1.00 0.00 C ATOM 913 CG2 VAL A 61 -4.278 -1.619 -4.524 1.00 0.00 C ATOM 0 H VAL A 61 -5.700 -0.313 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.958 0.656 -6.755 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.282 -1.134 -5.090 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.851 0.208 -3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.336 1.229 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.063 1.096 -4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.999 -1.940 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.258 -1.142 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.317 -2.485 -5.185 1.00 0.00 H new ATOM 923 N ILE A 62 -2.485 -1.185 -8.345 1.00 0.00 N ATOM 924 CA ILE A 62 -2.213 -2.224 -9.330 1.00 0.00 C ATOM 925 C ILE A 62 -0.916 -2.959 -9.010 1.00 0.00 C ATOM 926 O ILE A 62 0.101 -2.355 -8.669 1.00 0.00 O ATOM 927 CB ILE A 62 -2.122 -1.642 -10.753 1.00 0.00 C ATOM 928 CG1 ILE A 62 -2.390 -2.733 -11.792 1.00 0.00 C ATOM 929 CG2 ILE A 62 -0.757 -1.009 -10.980 1.00 0.00 C ATOM 930 CD1 ILE A 62 -2.409 -2.220 -13.215 1.00 0.00 C ATOM 0 H ILE A 62 -1.884 -0.364 -8.421 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.046 -2.925 -9.286 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.882 -0.868 -10.863 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.625 -3.504 -11.703 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.347 -3.206 -11.572 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.708 -0.602 -11.990 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.603 -0.207 -10.258 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.019 -1.764 -10.855 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.604 -3.047 -13.897 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.193 -1.470 -13.321 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.444 -1.773 -13.454 1.00 0.00 H new ATOM 942 N PRO A 63 -0.949 -4.295 -9.123 1.00 0.00 N ATOM 943 CA PRO A 63 0.216 -5.142 -8.852 1.00 0.00 C ATOM 944 C PRO A 63 1.306 -4.982 -9.906 1.00 0.00 C ATOM 945 O PRO A 63 1.206 -5.528 -11.005 1.00 0.00 O ATOM 946 CB PRO A 63 -0.359 -6.560 -8.889 1.00 0.00 C ATOM 947 CG PRO A 63 -1.565 -6.457 -9.757 1.00 0.00 C ATOM 948 CD PRO A 63 -2.128 -5.082 -9.524 1.00 0.00 C ATOM 0 HA PRO A 63 0.694 -4.886 -7.907 1.00 0.00 H new ATOM 0 HB2 PRO A 63 0.362 -7.269 -9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.619 -6.908 -7.889 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.304 -6.599 -10.806 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.295 -7.226 -9.503 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.592 -4.680 -10.424 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.892 -5.087 -8.746 1.00 0.00 H new ATOM 956 N VAL A 64 2.348 -4.231 -9.564 1.00 0.00 N ATOM 957 CA VAL A 64 3.458 -4.000 -10.481 1.00 0.00 C ATOM 958 C VAL A 64 4.280 -5.269 -10.678 1.00 0.00 C ATOM 959 O VAL A 64 4.066 -6.272 -9.997 1.00 0.00 O ATOM 960 CB VAL A 64 4.381 -2.877 -9.973 1.00 0.00 C ATOM 961 CG1 VAL A 64 3.653 -1.541 -9.984 1.00 0.00 C ATOM 962 CG2 VAL A 64 4.897 -3.201 -8.580 1.00 0.00 C ATOM 0 H VAL A 64 2.447 -3.772 -8.658 1.00 0.00 H new ATOM 0 HA VAL A 64 3.024 -3.699 -11.435 1.00 0.00 H new ATOM 0 HB VAL A 64 5.237 -2.802 -10.644 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.321 -0.760 -9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.338 -1.307 -11.001 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.778 -1.598 -9.337 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.548 -2.397 -8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.055 -3.304 -7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.458 -4.135 -8.608 1.00 0.00 H new ATOM 972 N SER A 65 5.223 -5.217 -11.614 1.00 0.00 N ATOM 973 CA SER A 65 6.076 -6.364 -11.903 1.00 0.00 C ATOM 974 C SER A 65 7.409 -6.248 -11.170 1.00 0.00 C ATOM 975 O SER A 65 8.260 -5.435 -11.530 1.00 0.00 O ATOM 976 CB SER A 65 6.319 -6.479 -13.409 1.00 0.00 C ATOM 977 OG SER A 65 5.192 -7.034 -14.066 1.00 0.00 O ATOM 0 H SER A 65 5.415 -4.394 -12.184 1.00 0.00 H new ATOM 0 HA SER A 65 5.566 -7.262 -11.554 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.536 -5.494 -13.822 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.194 -7.102 -13.593 1.00 0.00 H new ATOM 0 HG SER A 65 5.371 -7.096 -15.027 1.00 0.00 H new ATOM 983 N GLY A 66 7.583 -7.067 -10.137 1.00 0.00 N ATOM 984 CA GLY A 66 8.813 -7.041 -9.368 1.00 0.00 C ATOM 985 C GLY A 66 9.131 -5.661 -8.829 1.00 0.00 C ATOM 986 O GLY A 66 8.306 -4.748 -8.875 1.00 0.00 O ATOM 0 H GLY A 66 6.894 -7.748 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.733 -7.742 -8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.637 -7.381 -9.995 1.00 0.00 H new ATOM 990 N PRO A 67 10.354 -5.494 -8.303 1.00 0.00 N ATOM 991 CA PRO A 67 10.806 -4.218 -7.742 1.00 0.00 C ATOM 992 C PRO A 67 11.016 -3.154 -8.814 1.00 0.00 C ATOM 993 O PRO A 67 11.811 -3.337 -9.736 1.00 0.00 O ATOM 994 CB PRO A 67 12.137 -4.575 -7.076 1.00 0.00 C ATOM 995 CG PRO A 67 12.620 -5.775 -7.815 1.00 0.00 C ATOM 996 CD PRO A 67 11.388 -6.538 -8.216 1.00 0.00 C ATOM 0 HA PRO A 67 10.072 -3.791 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 67 12.849 -3.753 -7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 67 12.004 -4.790 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 67 13.202 -5.486 -8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.270 -6.385 -7.187 1.00 0.00 H new ATOM 0 HD2 PRO A 67 11.524 -7.049 -9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.129 -7.299 -7.480 1.00 0.00 H new ATOM 1004 N SER A 68 10.298 -2.043 -8.687 1.00 0.00 N ATOM 1005 CA SER A 68 10.403 -0.951 -9.648 1.00 0.00 C ATOM 1006 C SER A 68 10.544 0.390 -8.934 1.00 0.00 C ATOM 1007 O SER A 68 10.428 0.469 -7.711 1.00 0.00 O ATOM 1008 CB SER A 68 9.177 -0.928 -10.563 1.00 0.00 C ATOM 1009 OG SER A 68 7.980 -0.854 -9.809 1.00 0.00 O ATOM 0 H SER A 68 9.637 -1.875 -7.928 1.00 0.00 H new ATOM 0 HA SER A 68 11.295 -1.117 -10.252 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.239 -0.074 -11.238 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.165 -1.824 -11.183 1.00 0.00 H new ATOM 0 HG SER A 68 7.211 -0.839 -10.416 1.00 0.00 H new ATOM 1015 N SER A 69 10.794 1.442 -9.707 1.00 0.00 N ATOM 1016 CA SER A 69 10.955 2.780 -9.149 1.00 0.00 C ATOM 1017 C SER A 69 9.973 3.756 -9.790 1.00 0.00 C ATOM 1018 O SER A 69 10.216 4.274 -10.879 1.00 0.00 O ATOM 1019 CB SER A 69 12.389 3.272 -9.354 1.00 0.00 C ATOM 1020 OG SER A 69 12.686 4.352 -8.487 1.00 0.00 O ATOM 0 H SER A 69 10.889 1.394 -10.721 1.00 0.00 H new ATOM 0 HA SER A 69 10.746 2.730 -8.080 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.087 2.454 -9.174 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.525 3.585 -10.389 1.00 0.00 H new ATOM 0 HG SER A 69 13.609 4.647 -8.636 1.00 0.00 H new ATOM 1026 N GLY A 70 8.861 4.004 -9.104 1.00 0.00 N ATOM 1027 CA GLY A 70 7.859 4.917 -9.620 1.00 0.00 C ATOM 1028 C GLY A 70 7.682 6.140 -8.742 1.00 0.00 C ATOM 1029 O GLY A 70 6.845 6.998 -9.023 1.00 0.00 O ATOM 0 H GLY A 70 8.637 3.588 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.142 5.232 -10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.906 4.395 -9.707 1.00 0.00 H new TER 1033 GLY A 70