USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 798 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 43 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -176:sc= -3.55! (180deg=-3.63!) USER MOD Single : A 14 MET CE :methyl 180:sc= -0.0657 (180deg=-0.0657) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.86! C(o=-2.9!,f=-11!) USER MOD Single : A 22 THR OG1 : rot 25:sc= -4.25! USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.0625 X(o=-0.062,f=-0.031) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 84:sc= -0.498 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot -160:sc= -0.975 USER MOD Single : A 53 ASN : amide:sc= 1.2 K(o=1.2,f=-0.031) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot -100:sc= 0.162 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -4.42! C(o=-4.4!,f=-13!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -175:sc= 1.32 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 44:sc= 0.0494 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.044 22.511 4.602 1.00 0.00 N ATOM 2 CA GLY A 1 13.899 21.994 3.549 1.00 0.00 C ATOM 3 C GLY A 1 13.430 22.404 2.167 1.00 0.00 C ATOM 4 O GLY A 1 13.157 21.555 1.319 1.00 0.00 O ATOM 0 H1 GLY A 1 13.407 22.203 5.527 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.034 23.550 4.563 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.077 22.151 4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.917 22.351 3.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.929 20.906 3.611 1.00 0.00 H new ATOM 8 N SER A 2 13.335 23.710 1.940 1.00 0.00 N ATOM 9 CA SER A 2 12.890 24.232 0.653 1.00 0.00 C ATOM 10 C SER A 2 13.415 23.371 -0.493 1.00 0.00 C ATOM 11 O SER A 2 12.640 22.765 -1.233 1.00 0.00 O ATOM 12 CB SER A 2 13.358 25.678 0.475 1.00 0.00 C ATOM 13 OG SER A 2 12.775 26.265 -0.675 1.00 0.00 O ATOM 0 H SER A 2 13.560 24.426 2.630 1.00 0.00 H new ATOM 0 HA SER A 2 11.800 24.206 0.635 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.094 26.260 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.444 25.704 0.389 1.00 0.00 H new ATOM 0 HG SER A 2 13.089 27.189 -0.765 1.00 0.00 H new ATOM 19 N SER A 3 14.736 23.324 -0.632 1.00 0.00 N ATOM 20 CA SER A 3 15.365 22.541 -1.689 1.00 0.00 C ATOM 21 C SER A 3 15.948 21.246 -1.132 1.00 0.00 C ATOM 22 O SER A 3 16.537 21.230 -0.052 1.00 0.00 O ATOM 23 CB SER A 3 16.465 23.357 -2.370 1.00 0.00 C ATOM 24 OG SER A 3 16.958 22.690 -3.519 1.00 0.00 O ATOM 0 H SER A 3 15.391 23.819 -0.026 1.00 0.00 H new ATOM 0 HA SER A 3 14.601 22.288 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.075 24.335 -2.653 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.281 23.530 -1.668 1.00 0.00 H new ATOM 0 HG SER A 3 17.659 23.233 -3.937 1.00 0.00 H new ATOM 30 N GLY A 4 15.778 20.159 -1.879 1.00 0.00 N ATOM 31 CA GLY A 4 16.291 18.873 -1.445 1.00 0.00 C ATOM 32 C GLY A 4 15.187 17.882 -1.133 1.00 0.00 C ATOM 33 O GLY A 4 14.008 18.237 -1.131 1.00 0.00 O ATOM 0 H GLY A 4 15.294 20.146 -2.777 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.935 18.461 -2.222 1.00 0.00 H new ATOM 0 HA3 GLY A 4 16.910 19.013 -0.559 1.00 0.00 H new ATOM 37 N SER A 5 15.568 16.636 -0.871 1.00 0.00 N ATOM 38 CA SER A 5 14.600 15.590 -0.562 1.00 0.00 C ATOM 39 C SER A 5 14.969 14.875 0.734 1.00 0.00 C ATOM 40 O SER A 5 15.756 13.928 0.732 1.00 0.00 O ATOM 41 CB SER A 5 14.524 14.582 -1.710 1.00 0.00 C ATOM 42 OG SER A 5 13.564 13.575 -1.442 1.00 0.00 O ATOM 0 H SER A 5 16.540 16.326 -0.866 1.00 0.00 H new ATOM 0 HA SER A 5 13.624 16.058 -0.433 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.266 15.098 -2.635 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.502 14.125 -1.862 1.00 0.00 H new ATOM 0 HG SER A 5 13.534 12.944 -2.191 1.00 0.00 H new ATOM 48 N SER A 6 14.393 15.334 1.840 1.00 0.00 N ATOM 49 CA SER A 6 14.663 14.742 3.145 1.00 0.00 C ATOM 50 C SER A 6 13.826 13.483 3.354 1.00 0.00 C ATOM 51 O SER A 6 12.601 13.546 3.447 1.00 0.00 O ATOM 52 CB SER A 6 14.372 15.751 4.257 1.00 0.00 C ATOM 53 OG SER A 6 14.954 15.342 5.483 1.00 0.00 O ATOM 0 H SER A 6 13.736 16.114 1.859 1.00 0.00 H new ATOM 0 HA SER A 6 15.717 14.467 3.180 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.761 16.730 3.975 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.295 15.860 4.381 1.00 0.00 H new ATOM 0 HG SER A 6 14.755 16.005 6.177 1.00 0.00 H new ATOM 59 N GLY A 7 14.499 12.338 3.425 1.00 0.00 N ATOM 60 CA GLY A 7 13.803 11.080 3.622 1.00 0.00 C ATOM 61 C GLY A 7 14.142 10.057 2.556 1.00 0.00 C ATOM 62 O GLY A 7 14.812 10.358 1.568 1.00 0.00 O ATOM 0 H GLY A 7 15.513 12.260 3.350 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.058 10.677 4.602 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.728 11.259 3.621 1.00 0.00 H new ATOM 66 N PRO A 8 13.674 8.815 2.751 1.00 0.00 N ATOM 67 CA PRO A 8 13.920 7.719 1.810 1.00 0.00 C ATOM 68 C PRO A 8 13.166 7.902 0.497 1.00 0.00 C ATOM 69 O PRO A 8 12.365 8.825 0.354 1.00 0.00 O ATOM 70 CB PRO A 8 13.403 6.487 2.557 1.00 0.00 C ATOM 71 CG PRO A 8 12.386 7.019 3.506 1.00 0.00 C ATOM 72 CD PRO A 8 12.868 8.386 3.907 1.00 0.00 C ATOM 0 HA PRO A 8 14.971 7.653 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.964 5.763 1.871 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.209 5.977 3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 8 11.404 7.074 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.287 6.370 4.376 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.037 9.067 4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 8 13.462 8.351 4.820 1.00 0.00 H new ATOM 80 N GLY A 9 13.427 7.016 -0.459 1.00 0.00 N ATOM 81 CA GLY A 9 12.764 7.097 -1.747 1.00 0.00 C ATOM 82 C GLY A 9 11.440 6.360 -1.766 1.00 0.00 C ATOM 83 O GLY A 9 10.849 6.104 -0.716 1.00 0.00 O ATOM 0 H GLY A 9 14.086 6.243 -0.364 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.597 8.144 -2.001 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.417 6.683 -2.515 1.00 0.00 H new ATOM 87 N ARG A 10 10.971 6.018 -2.961 1.00 0.00 N ATOM 88 CA ARG A 10 9.707 5.308 -3.112 1.00 0.00 C ATOM 89 C ARG A 10 9.939 3.806 -3.243 1.00 0.00 C ATOM 90 O ARG A 10 10.689 3.341 -4.102 1.00 0.00 O ATOM 91 CB ARG A 10 8.949 5.827 -4.336 1.00 0.00 C ATOM 92 CG ARG A 10 9.760 5.777 -5.620 1.00 0.00 C ATOM 93 CD ARG A 10 8.971 6.326 -6.799 1.00 0.00 C ATOM 94 NE ARG A 10 9.835 6.663 -7.927 1.00 0.00 N ATOM 95 CZ ARG A 10 10.651 7.712 -7.940 1.00 0.00 C ATOM 96 NH1 ARG A 10 10.713 8.521 -6.891 1.00 0.00 N ATOM 97 NH2 ARG A 10 11.407 7.953 -9.003 1.00 0.00 N ATOM 0 H ARG A 10 11.448 6.221 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 10 9.109 5.489 -2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.041 5.239 -4.467 1.00 0.00 H new ATOM 0 HB3 ARG A 10 8.639 6.856 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 10 10.677 6.352 -5.495 1.00 0.00 H new ATOM 0 HG3 ARG A 10 10.055 4.748 -5.826 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.233 5.589 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.422 7.214 -6.486 1.00 0.00 H new ATOM 0 HE ARG A 10 9.811 6.061 -8.750 1.00 0.00 H new ATOM 0 HH11 ARG A 10 10.134 8.339 -6.072 1.00 0.00 H new ATOM 0 HH12 ARG A 10 11.340 9.325 -6.904 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.362 7.333 -9.812 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.033 8.758 -9.012 1.00 0.00 H new ATOM 111 N PRO A 11 9.281 3.027 -2.371 1.00 0.00 N ATOM 112 CA PRO A 11 9.400 1.566 -2.370 1.00 0.00 C ATOM 113 C PRO A 11 8.739 0.929 -3.587 1.00 0.00 C ATOM 114 O PRO A 11 7.837 1.509 -4.192 1.00 0.00 O ATOM 115 CB PRO A 11 8.671 1.152 -1.088 1.00 0.00 C ATOM 116 CG PRO A 11 7.706 2.257 -0.829 1.00 0.00 C ATOM 117 CD PRO A 11 8.371 3.512 -1.321 1.00 0.00 C ATOM 0 HA PRO A 11 10.440 1.242 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.157 0.199 -1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.367 1.031 -0.258 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.765 2.084 -1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.472 2.330 0.233 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.645 4.223 -1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 11 8.913 4.019 -0.523 1.00 0.00 H new ATOM 125 N THR A 12 9.194 -0.269 -3.943 1.00 0.00 N ATOM 126 CA THR A 12 8.647 -0.984 -5.089 1.00 0.00 C ATOM 127 C THR A 12 7.515 -1.914 -4.668 1.00 0.00 C ATOM 128 O THR A 12 7.754 -3.003 -4.147 1.00 0.00 O ATOM 129 CB THR A 12 9.733 -1.809 -5.806 1.00 0.00 C ATOM 130 OG1 THR A 12 10.739 -0.939 -6.335 1.00 0.00 O ATOM 131 CG2 THR A 12 9.129 -2.637 -6.930 1.00 0.00 C ATOM 0 H THR A 12 9.940 -0.764 -3.454 1.00 0.00 H new ATOM 0 HA THR A 12 8.259 -0.231 -5.775 1.00 0.00 H new ATOM 0 HB THR A 12 10.184 -2.485 -5.080 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.426 -1.471 -6.788 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.914 -3.211 -7.422 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.384 -3.319 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.655 -1.975 -7.655 1.00 0.00 H new ATOM 139 N MET A 13 6.281 -1.477 -4.898 1.00 0.00 N ATOM 140 CA MET A 13 5.111 -2.272 -4.543 1.00 0.00 C ATOM 141 C MET A 13 4.623 -3.084 -5.739 1.00 0.00 C ATOM 142 O MET A 13 4.592 -2.590 -6.865 1.00 0.00 O ATOM 143 CB MET A 13 3.987 -1.366 -4.035 1.00 0.00 C ATOM 144 CG MET A 13 2.823 -2.127 -3.422 1.00 0.00 C ATOM 145 SD MET A 13 1.762 -1.077 -2.411 1.00 0.00 S ATOM 146 CE MET A 13 1.487 0.298 -3.525 1.00 0.00 C ATOM 0 H MET A 13 6.066 -0.578 -5.328 1.00 0.00 H new ATOM 0 HA MET A 13 5.399 -2.962 -3.750 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.393 -0.679 -3.292 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.618 -0.759 -4.862 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.230 -2.578 -4.217 1.00 0.00 H new ATOM 0 HG3 MET A 13 3.209 -2.943 -2.811 1.00 0.00 H new ATOM 0 HE1 MET A 13 0.905 1.067 -3.017 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.446 0.713 -3.834 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.942 -0.049 -4.403 1.00 0.00 H new ATOM 156 N MET A 14 4.244 -4.332 -5.485 1.00 0.00 N ATOM 157 CA MET A 14 3.757 -5.212 -6.541 1.00 0.00 C ATOM 158 C MET A 14 2.437 -5.864 -6.141 1.00 0.00 C ATOM 159 O MET A 14 2.402 -6.730 -5.267 1.00 0.00 O ATOM 160 CB MET A 14 4.796 -6.290 -6.856 1.00 0.00 C ATOM 161 CG MET A 14 6.171 -5.731 -7.183 1.00 0.00 C ATOM 162 SD MET A 14 7.338 -7.009 -7.689 1.00 0.00 S ATOM 163 CE MET A 14 8.543 -6.910 -6.368 1.00 0.00 C ATOM 0 H MET A 14 4.265 -4.757 -4.558 1.00 0.00 H new ATOM 0 HA MET A 14 3.588 -4.608 -7.433 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.880 -6.963 -6.003 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.445 -6.886 -7.698 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.079 -4.993 -7.980 1.00 0.00 H new ATOM 0 HG3 MET A 14 6.564 -5.210 -6.310 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.332 -7.643 -6.539 1.00 0.00 H new ATOM 0 HE2 MET A 14 8.976 -5.910 -6.344 1.00 0.00 H new ATOM 0 HE3 MET A 14 8.056 -7.117 -5.415 1.00 0.00 H new ATOM 173 N ILE A 15 1.354 -5.440 -6.785 1.00 0.00 N ATOM 174 CA ILE A 15 0.033 -5.984 -6.495 1.00 0.00 C ATOM 175 C ILE A 15 -0.348 -7.066 -7.500 1.00 0.00 C ATOM 176 O ILE A 15 -0.298 -6.849 -8.710 1.00 0.00 O ATOM 177 CB ILE A 15 -1.044 -4.883 -6.510 1.00 0.00 C ATOM 178 CG1 ILE A 15 -0.683 -3.773 -5.522 1.00 0.00 C ATOM 179 CG2 ILE A 15 -2.407 -5.472 -6.179 1.00 0.00 C ATOM 180 CD1 ILE A 15 -1.256 -2.423 -5.893 1.00 0.00 C ATOM 0 H ILE A 15 1.366 -4.723 -7.510 1.00 0.00 H new ATOM 0 HA ILE A 15 0.082 -6.419 -5.497 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.089 -4.452 -7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.041 -4.050 -4.530 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.402 -3.693 -5.459 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.158 -4.682 -6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.665 -6.231 -6.918 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.376 -5.926 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.959 -1.685 -5.148 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.879 -2.124 -6.871 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.344 -2.486 -5.928 1.00 0.00 H new ATOM 192 N SER A 16 -0.731 -8.232 -6.988 1.00 0.00 N ATOM 193 CA SER A 16 -1.120 -9.349 -7.840 1.00 0.00 C ATOM 194 C SER A 16 -2.334 -10.074 -7.267 1.00 0.00 C ATOM 195 O SER A 16 -2.348 -10.458 -6.097 1.00 0.00 O ATOM 196 CB SER A 16 0.046 -10.329 -7.996 1.00 0.00 C ATOM 197 OG SER A 16 0.888 -9.951 -9.071 1.00 0.00 O ATOM 0 H SER A 16 -0.780 -8.427 -5.988 1.00 0.00 H new ATOM 0 HA SER A 16 -1.386 -8.951 -8.819 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.623 -10.363 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.340 -11.334 -8.168 1.00 0.00 H new ATOM 0 HG SER A 16 1.626 -10.591 -9.149 1.00 0.00 H new ATOM 203 N THR A 17 -3.354 -10.256 -8.099 1.00 0.00 N ATOM 204 CA THR A 17 -4.574 -10.933 -7.677 1.00 0.00 C ATOM 205 C THR A 17 -4.447 -12.444 -7.833 1.00 0.00 C ATOM 206 O THR A 17 -3.937 -12.934 -8.841 1.00 0.00 O ATOM 207 CB THR A 17 -5.794 -10.445 -8.481 1.00 0.00 C ATOM 208 OG1 THR A 17 -5.560 -10.624 -9.882 1.00 0.00 O ATOM 209 CG2 THR A 17 -6.082 -8.980 -8.193 1.00 0.00 C ATOM 0 H THR A 17 -3.360 -9.944 -9.070 1.00 0.00 H new ATOM 0 HA THR A 17 -4.722 -10.691 -6.625 1.00 0.00 H new ATOM 0 HB THR A 17 -6.660 -11.034 -8.179 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.341 -10.313 -10.386 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.948 -8.659 -8.772 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.289 -8.852 -7.130 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.217 -8.378 -8.470 1.00 0.00 H new ATOM 217 N THR A 18 -4.916 -13.179 -6.829 1.00 0.00 N ATOM 218 CA THR A 18 -4.855 -14.635 -6.855 1.00 0.00 C ATOM 219 C THR A 18 -6.227 -15.248 -6.599 1.00 0.00 C ATOM 220 O THR A 18 -6.768 -15.958 -7.446 1.00 0.00 O ATOM 221 CB THR A 18 -3.861 -15.174 -5.809 1.00 0.00 C ATOM 222 OG1 THR A 18 -4.296 -14.820 -4.491 1.00 0.00 O ATOM 223 CG2 THR A 18 -2.465 -14.621 -6.053 1.00 0.00 C ATOM 0 H THR A 18 -5.342 -12.790 -5.988 1.00 0.00 H new ATOM 0 HA THR A 18 -4.514 -14.919 -7.850 1.00 0.00 H new ATOM 0 HB THR A 18 -3.826 -16.260 -5.900 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.660 -15.168 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.781 -15.016 -5.302 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.125 -14.917 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.488 -13.533 -5.987 1.00 0.00 H new ATOM 231 N ALA A 19 -6.785 -14.967 -5.426 1.00 0.00 N ATOM 232 CA ALA A 19 -8.096 -15.489 -5.060 1.00 0.00 C ATOM 233 C ALA A 19 -9.201 -14.502 -5.423 1.00 0.00 C ATOM 234 O ALA A 19 -8.930 -13.353 -5.771 1.00 0.00 O ATOM 235 CB ALA A 19 -8.140 -15.810 -3.574 1.00 0.00 C ATOM 0 H ALA A 19 -6.350 -14.381 -4.713 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.265 -16.406 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.125 -16.199 -3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.382 -16.557 -3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.945 -14.904 -3.000 1.00 0.00 H new ATOM 241 N MET A 20 -10.446 -14.958 -5.340 1.00 0.00 N ATOM 242 CA MET A 20 -11.592 -14.114 -5.660 1.00 0.00 C ATOM 243 C MET A 20 -11.751 -13.000 -4.630 1.00 0.00 C ATOM 244 O MET A 20 -11.900 -13.262 -3.437 1.00 0.00 O ATOM 245 CB MET A 20 -12.869 -14.954 -5.722 1.00 0.00 C ATOM 246 CG MET A 20 -12.853 -16.005 -6.820 1.00 0.00 C ATOM 247 SD MET A 20 -14.028 -17.339 -6.521 1.00 0.00 S ATOM 248 CE MET A 20 -12.917 -18.730 -6.317 1.00 0.00 C ATOM 0 H MET A 20 -10.688 -15.907 -5.054 1.00 0.00 H new ATOM 0 HA MET A 20 -11.417 -13.660 -6.635 1.00 0.00 H new ATOM 0 HB2 MET A 20 -13.017 -15.447 -4.761 1.00 0.00 H new ATOM 0 HB3 MET A 20 -13.722 -14.293 -5.876 1.00 0.00 H new ATOM 0 HG2 MET A 20 -13.082 -15.531 -7.775 1.00 0.00 H new ATOM 0 HG3 MET A 20 -11.849 -16.422 -6.904 1.00 0.00 H new ATOM 0 HE1 MET A 20 -13.496 -19.633 -6.125 1.00 0.00 H new ATOM 0 HE2 MET A 20 -12.329 -18.863 -7.225 1.00 0.00 H new ATOM 0 HE3 MET A 20 -12.249 -18.542 -5.477 1.00 0.00 H new ATOM 258 N ASN A 21 -11.716 -11.757 -5.099 1.00 0.00 N ATOM 259 CA ASN A 21 -11.856 -10.604 -4.218 1.00 0.00 C ATOM 260 C ASN A 21 -10.683 -10.516 -3.246 1.00 0.00 C ATOM 261 O ASN A 21 -10.845 -10.118 -2.093 1.00 0.00 O ATOM 262 CB ASN A 21 -13.171 -10.686 -3.440 1.00 0.00 C ATOM 263 CG ASN A 21 -14.332 -11.124 -4.312 1.00 0.00 C ATOM 264 OD1 ASN A 21 -14.242 -12.121 -5.029 1.00 0.00 O ATOM 265 ND2 ASN A 21 -15.429 -10.378 -4.255 1.00 0.00 N ATOM 0 H ASN A 21 -11.592 -11.523 -6.084 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.862 -9.706 -4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -13.057 -11.386 -2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.394 -9.712 -3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.242 -10.623 -4.820 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.459 -9.560 -3.646 1.00 0.00 H new ATOM 272 N THR A 22 -9.499 -10.892 -3.721 1.00 0.00 N ATOM 273 CA THR A 22 -8.298 -10.857 -2.896 1.00 0.00 C ATOM 274 C THR A 22 -7.096 -10.367 -3.695 1.00 0.00 C ATOM 275 O THR A 22 -6.787 -10.901 -4.760 1.00 0.00 O ATOM 276 CB THR A 22 -7.979 -12.245 -2.309 1.00 0.00 C ATOM 277 OG1 THR A 22 -7.591 -13.142 -3.356 1.00 0.00 O ATOM 278 CG2 THR A 22 -9.183 -12.810 -1.571 1.00 0.00 C ATOM 0 H THR A 22 -9.347 -11.224 -4.673 1.00 0.00 H new ATOM 0 HA THR A 22 -8.496 -10.162 -2.080 1.00 0.00 H new ATOM 0 HB THR A 22 -7.157 -12.136 -1.601 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.235 -12.629 -4.111 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.934 -13.791 -1.165 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.458 -12.140 -0.757 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.021 -12.905 -2.261 1.00 0.00 H new ATOM 286 N ALA A 23 -6.421 -9.348 -3.174 1.00 0.00 N ATOM 287 CA ALA A 23 -5.250 -8.787 -3.837 1.00 0.00 C ATOM 288 C ALA A 23 -4.004 -8.934 -2.970 1.00 0.00 C ATOM 289 O ALA A 23 -3.942 -8.401 -1.861 1.00 0.00 O ATOM 290 CB ALA A 23 -5.488 -7.324 -4.181 1.00 0.00 C ATOM 0 H ALA A 23 -6.665 -8.894 -2.294 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.085 -9.343 -4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.605 -6.918 -4.675 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.347 -7.242 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.682 -6.762 -3.267 1.00 0.00 H new ATOM 296 N LEU A 24 -3.015 -9.659 -3.481 1.00 0.00 N ATOM 297 CA LEU A 24 -1.771 -9.876 -2.752 1.00 0.00 C ATOM 298 C LEU A 24 -0.874 -8.644 -2.827 1.00 0.00 C ATOM 299 O LEU A 24 -0.749 -8.017 -3.880 1.00 0.00 O ATOM 300 CB LEU A 24 -1.033 -11.092 -3.314 1.00 0.00 C ATOM 301 CG LEU A 24 0.264 -11.478 -2.602 1.00 0.00 C ATOM 302 CD1 LEU A 24 0.031 -11.622 -1.107 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.828 -12.768 -3.183 1.00 0.00 C ATOM 0 H LEU A 24 -3.051 -10.106 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.019 -10.060 -1.707 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.708 -11.947 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.805 -10.901 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 24 0.992 -10.683 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.966 -11.897 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.326 -10.675 -0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.714 -12.397 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.751 -13.028 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.102 -13.572 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.035 -12.629 -4.244 1.00 0.00 H new ATOM 315 N LEU A 25 -0.250 -8.304 -1.705 1.00 0.00 N ATOM 316 CA LEU A 25 0.638 -7.148 -1.643 1.00 0.00 C ATOM 317 C LEU A 25 2.074 -7.579 -1.360 1.00 0.00 C ATOM 318 O LEU A 25 2.348 -8.233 -0.354 1.00 0.00 O ATOM 319 CB LEU A 25 0.164 -6.173 -0.564 1.00 0.00 C ATOM 320 CG LEU A 25 -1.229 -5.575 -0.765 1.00 0.00 C ATOM 321 CD1 LEU A 25 -1.621 -4.723 0.432 1.00 0.00 C ATOM 322 CD2 LEU A 25 -1.278 -4.755 -2.045 1.00 0.00 C ATOM 0 H LEU A 25 -0.342 -8.812 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 25 0.612 -6.649 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.181 -6.689 0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.883 -5.356 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.945 -6.392 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.615 -4.306 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.627 -5.339 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.902 -3.912 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.277 -4.337 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.551 -3.945 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.042 -5.394 -2.896 1.00 0.00 H new ATOM 334 N GLN A 26 2.985 -7.206 -2.253 1.00 0.00 N ATOM 335 CA GLN A 26 4.393 -7.553 -2.097 1.00 0.00 C ATOM 336 C GLN A 26 5.288 -6.380 -2.484 1.00 0.00 C ATOM 337 O GLN A 26 5.285 -5.937 -3.633 1.00 0.00 O ATOM 338 CB GLN A 26 4.736 -8.775 -2.951 1.00 0.00 C ATOM 339 CG GLN A 26 3.785 -9.944 -2.749 1.00 0.00 C ATOM 340 CD GLN A 26 4.430 -11.281 -3.057 1.00 0.00 C ATOM 341 OE1 GLN A 26 5.032 -11.463 -4.116 1.00 0.00 O ATOM 342 NE2 GLN A 26 4.309 -12.225 -2.131 1.00 0.00 N ATOM 0 H GLN A 26 2.774 -6.664 -3.091 1.00 0.00 H new ATOM 0 HA GLN A 26 4.569 -7.791 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 26 4.727 -8.487 -4.002 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.751 -9.098 -2.718 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.430 -9.945 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.911 -9.811 -3.387 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.801 -12.031 -1.268 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.724 -13.144 -2.283 1.00 0.00 H new ATOM 351 N TRP A 27 6.053 -5.883 -1.519 1.00 0.00 N ATOM 352 CA TRP A 27 6.953 -4.761 -1.759 1.00 0.00 C ATOM 353 C TRP A 27 8.356 -5.069 -1.247 1.00 0.00 C ATOM 354 O TRP A 27 8.547 -5.983 -0.443 1.00 0.00 O ATOM 355 CB TRP A 27 6.417 -3.497 -1.085 1.00 0.00 C ATOM 356 CG TRP A 27 6.230 -3.646 0.394 1.00 0.00 C ATOM 357 CD1 TRP A 27 7.181 -3.484 1.361 1.00 0.00 C ATOM 358 CD2 TRP A 27 5.018 -3.989 1.074 1.00 0.00 C ATOM 359 NE1 TRP A 27 6.633 -3.706 2.601 1.00 0.00 N ATOM 360 CE2 TRP A 27 5.307 -4.016 2.453 1.00 0.00 C ATOM 361 CE3 TRP A 27 3.716 -4.273 0.654 1.00 0.00 C ATOM 362 CZ2 TRP A 27 4.342 -4.318 3.410 1.00 0.00 C ATOM 363 CZ3 TRP A 27 2.759 -4.573 1.605 1.00 0.00 C ATOM 364 CH2 TRP A 27 3.076 -4.593 2.970 1.00 0.00 C ATOM 0 H TRP A 27 6.068 -6.239 -0.563 1.00 0.00 H new ATOM 0 HA TRP A 27 7.007 -4.595 -2.835 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.104 -2.673 -1.276 1.00 0.00 H new ATOM 0 HB3 TRP A 27 5.463 -3.228 -1.539 1.00 0.00 H new ATOM 0 HD1 TRP A 27 8.212 -3.220 1.178 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.133 -3.649 3.488 1.00 0.00 H new ATOM 0 HE3 TRP A 27 3.462 -4.258 -0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 4.584 -4.335 4.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 1.750 -4.796 1.291 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.306 -4.830 3.689 1.00 0.00 H new ATOM 375 N HIS A 28 9.335 -4.302 -1.716 1.00 0.00 N ATOM 376 CA HIS A 28 10.721 -4.494 -1.303 1.00 0.00 C ATOM 377 C HIS A 28 11.319 -3.189 -0.787 1.00 0.00 C ATOM 378 O HIS A 28 10.865 -2.095 -1.120 1.00 0.00 O ATOM 379 CB HIS A 28 11.554 -5.024 -2.471 1.00 0.00 C ATOM 380 CG HIS A 28 11.451 -6.506 -2.656 1.00 0.00 C ATOM 381 ND1 HIS A 28 12.246 -7.406 -1.978 1.00 0.00 N ATOM 382 CD2 HIS A 28 10.639 -7.245 -3.448 1.00 0.00 C ATOM 383 CE1 HIS A 28 11.928 -8.635 -2.345 1.00 0.00 C ATOM 384 NE2 HIS A 28 10.956 -8.565 -3.237 1.00 0.00 N ATOM 0 H HIS A 28 9.195 -3.542 -2.382 1.00 0.00 H new ATOM 0 HA HIS A 28 10.736 -5.225 -0.495 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.235 -4.529 -3.388 1.00 0.00 H new ATOM 0 HB3 HIS A 28 12.599 -4.758 -2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 28 9.883 -6.867 -4.120 1.00 0.00 H new ATOM 0 HE1 HIS A 28 12.385 -9.542 -1.978 1.00 0.00 H new ATOM 0 HE2 HIS A 28 10.513 -9.362 -3.695 1.00 0.00 H new ATOM 393 N PRO A 29 12.363 -3.306 0.048 1.00 0.00 N ATOM 394 CA PRO A 29 13.045 -2.146 0.629 1.00 0.00 C ATOM 395 C PRO A 29 13.838 -1.360 -0.410 1.00 0.00 C ATOM 396 O PRO A 29 14.581 -1.922 -1.215 1.00 0.00 O ATOM 397 CB PRO A 29 13.988 -2.769 1.661 1.00 0.00 C ATOM 398 CG PRO A 29 14.230 -4.153 1.167 1.00 0.00 C ATOM 399 CD PRO A 29 12.957 -4.579 0.488 1.00 0.00 C ATOM 0 HA PRO A 29 12.341 -1.429 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 29 14.919 -2.207 1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 29 13.539 -2.776 2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.070 -4.178 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.477 -4.824 1.990 1.00 0.00 H new ATOM 0 HD2 PRO A 29 13.153 -5.243 -0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.298 -5.116 1.170 1.00 0.00 H new ATOM 407 N PRO A 30 13.680 -0.028 -0.394 1.00 0.00 N ATOM 408 CA PRO A 30 14.374 0.863 -1.328 1.00 0.00 C ATOM 409 C PRO A 30 15.872 0.940 -1.051 1.00 0.00 C ATOM 410 O PRO A 30 16.324 0.654 0.058 1.00 0.00 O ATOM 411 CB PRO A 30 13.714 2.222 -1.078 1.00 0.00 C ATOM 412 CG PRO A 30 13.205 2.145 0.320 1.00 0.00 C ATOM 413 CD PRO A 30 12.811 0.710 0.538 1.00 0.00 C ATOM 0 HA PRO A 30 14.293 0.517 -2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 30 14.429 3.037 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.904 2.405 -1.785 1.00 0.00 H new ATOM 0 HG2 PRO A 30 13.971 2.452 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.353 2.810 0.462 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.975 0.401 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 30 11.756 0.545 0.319 1.00 0.00 H new ATOM 421 N LYS A 31 16.637 1.329 -2.065 1.00 0.00 N ATOM 422 CA LYS A 31 18.084 1.446 -1.932 1.00 0.00 C ATOM 423 C LYS A 31 18.492 2.892 -1.672 1.00 0.00 C ATOM 424 O LYS A 31 19.594 3.159 -1.194 1.00 0.00 O ATOM 425 CB LYS A 31 18.777 0.928 -3.195 1.00 0.00 C ATOM 426 CG LYS A 31 20.278 0.760 -3.039 1.00 0.00 C ATOM 427 CD LYS A 31 20.627 -0.574 -2.401 1.00 0.00 C ATOM 428 CE LYS A 31 22.128 -0.818 -2.402 1.00 0.00 C ATOM 429 NZ LYS A 31 22.485 -2.087 -1.710 1.00 0.00 N ATOM 0 H LYS A 31 16.278 1.569 -2.989 1.00 0.00 H new ATOM 0 HA LYS A 31 18.395 0.841 -1.080 1.00 0.00 H new ATOM 0 HB2 LYS A 31 18.339 -0.031 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 31 18.580 1.617 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.757 0.833 -4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 31 20.674 1.571 -2.428 1.00 0.00 H new ATOM 0 HD2 LYS A 31 20.255 -0.597 -1.377 1.00 0.00 H new ATOM 0 HD3 LYS A 31 20.126 -1.378 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.490 -0.851 -3.430 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.632 0.016 -1.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 23.517 -2.216 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 22.163 -2.046 -0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 22.025 -2.886 -2.191 1.00 0.00 H new ATOM 443 N GLU A 32 17.595 3.821 -1.989 1.00 0.00 N ATOM 444 CA GLU A 32 17.863 5.240 -1.789 1.00 0.00 C ATOM 445 C GLU A 32 17.527 5.661 -0.361 1.00 0.00 C ATOM 446 O GLU A 32 17.438 6.852 -0.057 1.00 0.00 O ATOM 447 CB GLU A 32 17.057 6.079 -2.782 1.00 0.00 C ATOM 448 CG GLU A 32 17.215 5.632 -4.226 1.00 0.00 C ATOM 449 CD GLU A 32 18.360 6.333 -4.932 1.00 0.00 C ATOM 450 OE1 GLU A 32 18.252 7.555 -5.166 1.00 0.00 O ATOM 451 OE2 GLU A 32 19.362 5.661 -5.250 1.00 0.00 O ATOM 0 H GLU A 32 16.678 3.616 -2.385 1.00 0.00 H new ATOM 0 HA GLU A 32 18.926 5.410 -1.959 1.00 0.00 H new ATOM 0 HB2 GLU A 32 16.002 6.035 -2.510 1.00 0.00 H new ATOM 0 HB3 GLU A 32 17.364 7.121 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 32 17.381 4.555 -4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 32 16.288 5.825 -4.766 1.00 0.00 H new ATOM 458 N LEU A 33 17.341 4.677 0.511 1.00 0.00 N ATOM 459 CA LEU A 33 17.014 4.943 1.908 1.00 0.00 C ATOM 460 C LEU A 33 18.279 5.179 2.728 1.00 0.00 C ATOM 461 O LEU A 33 19.077 4.270 2.958 1.00 0.00 O ATOM 462 CB LEU A 33 16.220 3.777 2.498 1.00 0.00 C ATOM 463 CG LEU A 33 15.803 3.921 3.962 1.00 0.00 C ATOM 464 CD1 LEU A 33 14.504 3.174 4.223 1.00 0.00 C ATOM 465 CD2 LEU A 33 16.905 3.416 4.882 1.00 0.00 C ATOM 0 H LEU A 33 17.411 3.687 0.276 1.00 0.00 H new ATOM 0 HA LEU A 33 16.404 5.846 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.321 3.635 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.817 2.870 2.399 1.00 0.00 H new ATOM 0 HG LEU A 33 15.638 4.978 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.223 3.288 5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 33 13.716 3.582 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.641 2.117 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.591 3.526 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 33 17.101 2.365 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 33 17.813 3.995 4.714 1.00 0.00 H new ATOM 477 N PRO A 34 18.467 6.427 3.181 1.00 0.00 N ATOM 478 CA PRO A 34 19.631 6.810 3.985 1.00 0.00 C ATOM 479 C PRO A 34 19.595 6.203 5.383 1.00 0.00 C ATOM 480 O PRO A 34 18.947 6.733 6.284 1.00 0.00 O ATOM 481 CB PRO A 34 19.523 8.335 4.061 1.00 0.00 C ATOM 482 CG PRO A 34 18.073 8.622 3.875 1.00 0.00 C ATOM 483 CD PRO A 34 17.557 7.560 2.944 1.00 0.00 C ATOM 0 HA PRO A 34 20.564 6.456 3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 34 19.881 8.710 5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 34 20.124 8.813 3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.545 8.596 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.923 9.616 3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 34 16.523 7.298 3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 34 17.586 7.888 1.905 1.00 0.00 H new ATOM 491 N GLY A 35 20.298 5.088 5.557 1.00 0.00 N ATOM 492 CA GLY A 35 20.334 4.428 6.849 1.00 0.00 C ATOM 493 C GLY A 35 19.967 2.960 6.760 1.00 0.00 C ATOM 494 O GLY A 35 20.644 2.185 6.086 1.00 0.00 O ATOM 0 H GLY A 35 20.843 4.630 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 35 21.333 4.525 7.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.647 4.931 7.530 1.00 0.00 H new ATOM 498 N GLU A 36 18.893 2.577 7.443 1.00 0.00 N ATOM 499 CA GLU A 36 18.440 1.191 7.439 1.00 0.00 C ATOM 500 C GLU A 36 16.920 1.115 7.557 1.00 0.00 C ATOM 501 O GLU A 36 16.292 1.964 8.191 1.00 0.00 O ATOM 502 CB GLU A 36 19.090 0.415 8.587 1.00 0.00 C ATOM 503 CG GLU A 36 18.215 -0.695 9.144 1.00 0.00 C ATOM 504 CD GLU A 36 18.963 -1.602 10.102 1.00 0.00 C ATOM 505 OE1 GLU A 36 20.044 -2.100 9.726 1.00 0.00 O ATOM 506 OE2 GLU A 36 18.466 -1.812 11.229 1.00 0.00 O ATOM 0 H GLU A 36 18.321 3.206 8.006 1.00 0.00 H new ATOM 0 HA GLU A 36 18.737 0.742 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.029 -0.015 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 36 19.336 1.110 9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.360 -0.255 9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.820 -1.289 8.320 1.00 0.00 H new ATOM 513 N LEU A 37 16.335 0.093 6.942 1.00 0.00 N ATOM 514 CA LEU A 37 14.889 -0.095 6.976 1.00 0.00 C ATOM 515 C LEU A 37 14.417 -0.432 8.387 1.00 0.00 C ATOM 516 O LEU A 37 14.834 -1.434 8.970 1.00 0.00 O ATOM 517 CB LEU A 37 14.476 -1.206 6.009 1.00 0.00 C ATOM 518 CG LEU A 37 12.973 -1.394 5.805 1.00 0.00 C ATOM 519 CD1 LEU A 37 12.466 -0.481 4.700 1.00 0.00 C ATOM 520 CD2 LEU A 37 12.655 -2.848 5.487 1.00 0.00 C ATOM 0 H LEU A 37 16.840 -0.618 6.414 1.00 0.00 H new ATOM 0 HA LEU A 37 14.419 0.839 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.931 -1.004 5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.894 -2.146 6.368 1.00 0.00 H new ATOM 0 HG LEU A 37 12.464 -1.126 6.731 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.394 -0.629 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.659 0.558 4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.981 -0.716 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.580 -2.963 5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.175 -3.143 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.982 -3.481 6.312 1.00 0.00 H new ATOM 532 N LEU A 38 13.545 0.410 8.930 1.00 0.00 N ATOM 533 CA LEU A 38 13.013 0.201 10.272 1.00 0.00 C ATOM 534 C LEU A 38 11.516 -0.086 10.227 1.00 0.00 C ATOM 535 O LEU A 38 10.976 -0.760 11.102 1.00 0.00 O ATOM 536 CB LEU A 38 13.283 1.428 11.146 1.00 0.00 C ATOM 537 CG LEU A 38 14.739 1.889 11.225 1.00 0.00 C ATOM 538 CD1 LEU A 38 14.826 3.278 11.836 1.00 0.00 C ATOM 539 CD2 LEU A 38 15.568 0.898 12.028 1.00 0.00 C ATOM 0 H LEU A 38 13.191 1.244 8.462 1.00 0.00 H new ATOM 0 HA LEU A 38 13.516 -0.664 10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.681 2.256 10.771 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.936 1.213 12.157 1.00 0.00 H new ATOM 0 HG LEU A 38 15.142 1.934 10.213 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.869 3.590 11.884 1.00 0.00 H new ATOM 0 HD12 LEU A 38 14.265 3.982 11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.406 3.260 12.842 1.00 0.00 H new ATOM 0 HD21 LEU A 38 16.601 1.241 12.074 1.00 0.00 H new ATOM 0 HD22 LEU A 38 15.166 0.821 13.038 1.00 0.00 H new ATOM 0 HD23 LEU A 38 15.532 -0.080 11.548 1.00 0.00 H new ATOM 551 N GLY A 39 10.851 0.430 9.197 1.00 0.00 N ATOM 552 CA GLY A 39 9.422 0.217 9.055 1.00 0.00 C ATOM 553 C GLY A 39 8.838 0.970 7.877 1.00 0.00 C ATOM 554 O GLY A 39 9.544 1.712 7.194 1.00 0.00 O ATOM 0 H GLY A 39 11.276 0.991 8.459 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.227 -0.849 8.934 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.918 0.531 9.969 1.00 0.00 H new ATOM 558 N TYR A 40 7.545 0.779 7.637 1.00 0.00 N ATOM 559 CA TYR A 40 6.867 1.443 6.530 1.00 0.00 C ATOM 560 C TYR A 40 5.352 1.381 6.704 1.00 0.00 C ATOM 561 O TYR A 40 4.824 0.451 7.313 1.00 0.00 O ATOM 562 CB TYR A 40 7.266 0.800 5.201 1.00 0.00 C ATOM 563 CG TYR A 40 7.692 -0.645 5.330 1.00 0.00 C ATOM 564 CD1 TYR A 40 6.931 -1.551 6.059 1.00 0.00 C ATOM 565 CD2 TYR A 40 8.855 -1.104 4.725 1.00 0.00 C ATOM 566 CE1 TYR A 40 7.316 -2.872 6.181 1.00 0.00 C ATOM 567 CE2 TYR A 40 9.247 -2.424 4.840 1.00 0.00 C ATOM 568 CZ TYR A 40 8.474 -3.303 5.569 1.00 0.00 C ATOM 569 OH TYR A 40 8.862 -4.618 5.687 1.00 0.00 O ATOM 0 H TYR A 40 6.946 0.170 8.194 1.00 0.00 H new ATOM 0 HA TYR A 40 7.172 2.490 6.525 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.425 0.862 4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.082 1.373 4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.023 -1.216 6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.463 -0.417 4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.714 -3.563 6.752 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.153 -2.765 4.362 1.00 0.00 H new ATOM 0 HH TYR A 40 8.398 -5.158 5.013 1.00 0.00 H new ATOM 579 N ARG A 41 4.660 2.378 6.162 1.00 0.00 N ATOM 580 CA ARG A 41 3.207 2.438 6.256 1.00 0.00 C ATOM 581 C ARG A 41 2.560 2.093 4.918 1.00 0.00 C ATOM 582 O ARG A 41 3.141 2.326 3.857 1.00 0.00 O ATOM 583 CB ARG A 41 2.761 3.831 6.706 1.00 0.00 C ATOM 584 CG ARG A 41 1.265 4.065 6.570 1.00 0.00 C ATOM 585 CD ARG A 41 0.930 5.548 6.586 1.00 0.00 C ATOM 586 NE ARG A 41 0.994 6.109 7.933 1.00 0.00 N ATOM 587 CZ ARG A 41 1.101 7.409 8.184 1.00 0.00 C ATOM 588 NH1 ARG A 41 1.157 8.278 7.184 1.00 0.00 N ATOM 589 NH2 ARG A 41 1.154 7.843 9.437 1.00 0.00 N ATOM 0 H ARG A 41 5.082 3.155 5.653 1.00 0.00 H new ATOM 0 HA ARG A 41 2.886 1.704 6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.050 3.977 7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.292 4.581 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.909 3.620 5.641 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.742 3.564 7.384 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.623 6.083 5.937 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.069 5.698 6.178 1.00 0.00 H new ATOM 0 HE ARG A 41 0.954 5.467 8.725 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.118 7.949 6.219 1.00 0.00 H new ATOM 0 HH12 ARG A 41 1.239 9.276 7.379 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.113 7.178 10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.236 8.842 9.628 1.00 0.00 H new ATOM 603 N LEU A 42 1.356 1.536 4.975 1.00 0.00 N ATOM 604 CA LEU A 42 0.630 1.157 3.768 1.00 0.00 C ATOM 605 C LEU A 42 -0.714 1.876 3.692 1.00 0.00 C ATOM 606 O LEU A 42 -1.548 1.746 4.587 1.00 0.00 O ATOM 607 CB LEU A 42 0.414 -0.357 3.732 1.00 0.00 C ATOM 608 CG LEU A 42 0.300 -0.986 2.344 1.00 0.00 C ATOM 609 CD1 LEU A 42 -0.240 -2.405 2.443 1.00 0.00 C ATOM 610 CD2 LEU A 42 -0.588 -0.138 1.445 1.00 0.00 C ATOM 0 H LEU A 42 0.861 1.337 5.844 1.00 0.00 H new ATOM 0 HA LEU A 42 1.229 1.453 2.906 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.241 -0.834 4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.494 -0.588 4.289 1.00 0.00 H new ATOM 0 HG LEU A 42 1.296 -1.028 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.314 -2.837 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.434 -3.009 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.227 -2.387 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.658 -0.601 0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.584 -0.064 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.160 0.860 1.347 1.00 0.00 H new ATOM 622 N GLN A 43 -0.915 2.631 2.618 1.00 0.00 N ATOM 623 CA GLN A 43 -2.158 3.369 2.425 1.00 0.00 C ATOM 624 C GLN A 43 -2.826 2.977 1.112 1.00 0.00 C ATOM 625 O GLN A 43 -2.245 3.134 0.037 1.00 0.00 O ATOM 626 CB GLN A 43 -1.890 4.875 2.445 1.00 0.00 C ATOM 627 CG GLN A 43 -1.684 5.438 3.842 1.00 0.00 C ATOM 628 CD GLN A 43 -1.507 6.944 3.845 1.00 0.00 C ATOM 629 OE1 GLN A 43 -0.676 7.483 3.114 1.00 0.00 O ATOM 630 NE2 GLN A 43 -2.289 7.631 4.668 1.00 0.00 N ATOM 0 H GLN A 43 -0.234 2.748 1.868 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.832 3.116 3.244 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.006 5.086 1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.727 5.391 1.974 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.539 5.175 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.807 4.972 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.964 7.143 5.256 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.215 8.647 4.712 1.00 0.00 H new ATOM 639 N TYR A 44 -4.048 2.466 1.205 1.00 0.00 N ATOM 640 CA TYR A 44 -4.795 2.049 0.024 1.00 0.00 C ATOM 641 C TYR A 44 -6.295 2.228 0.236 1.00 0.00 C ATOM 642 O TYR A 44 -6.828 1.896 1.295 1.00 0.00 O ATOM 643 CB TYR A 44 -4.487 0.588 -0.310 1.00 0.00 C ATOM 644 CG TYR A 44 -5.021 -0.392 0.711 1.00 0.00 C ATOM 645 CD1 TYR A 44 -6.387 -0.599 0.854 1.00 0.00 C ATOM 646 CD2 TYR A 44 -4.160 -1.109 1.532 1.00 0.00 C ATOM 647 CE1 TYR A 44 -6.880 -1.493 1.786 1.00 0.00 C ATOM 648 CE2 TYR A 44 -4.643 -2.006 2.464 1.00 0.00 C ATOM 649 CZ TYR A 44 -6.004 -2.194 2.588 1.00 0.00 C ATOM 650 OH TYR A 44 -6.490 -3.085 3.517 1.00 0.00 O ATOM 0 H TYR A 44 -4.543 2.330 2.086 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.487 2.679 -0.810 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.910 0.350 -1.286 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -3.407 0.462 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.075 -0.052 0.227 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.094 -0.962 1.440 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.945 -1.642 1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.959 -2.557 3.092 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.742 -3.496 3.999 1.00 0.00 H new ATOM 660 N CYS A 45 -6.970 2.756 -0.780 1.00 0.00 N ATOM 661 CA CYS A 45 -8.409 2.980 -0.706 1.00 0.00 C ATOM 662 C CYS A 45 -9.040 2.922 -2.094 1.00 0.00 C ATOM 663 O CYS A 45 -8.338 2.899 -3.105 1.00 0.00 O ATOM 664 CB CYS A 45 -8.703 4.333 -0.056 1.00 0.00 C ATOM 665 SG CYS A 45 -7.880 5.731 -0.855 1.00 0.00 S ATOM 0 H CYS A 45 -6.544 3.036 -1.663 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.844 2.189 -0.095 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -9.779 4.504 -0.068 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.398 4.295 0.990 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.831 6.735 -0.030 1.00 0.00 H new ATOM 671 N ARG A 46 -10.368 2.897 -2.134 1.00 0.00 N ATOM 672 CA ARG A 46 -11.093 2.839 -3.397 1.00 0.00 C ATOM 673 C ARG A 46 -10.850 4.099 -4.223 1.00 0.00 C ATOM 674 O ARG A 46 -10.377 5.110 -3.705 1.00 0.00 O ATOM 675 CB ARG A 46 -12.591 2.664 -3.142 1.00 0.00 C ATOM 676 CG ARG A 46 -12.999 1.226 -2.869 1.00 0.00 C ATOM 677 CD ARG A 46 -14.505 1.044 -2.978 1.00 0.00 C ATOM 678 NE ARG A 46 -15.204 1.548 -1.798 1.00 0.00 N ATOM 679 CZ ARG A 46 -15.093 1.005 -0.591 1.00 0.00 C ATOM 680 NH1 ARG A 46 -14.317 -0.053 -0.405 1.00 0.00 N ATOM 681 NH2 ARG A 46 -15.761 1.521 0.433 1.00 0.00 N ATOM 0 H ARG A 46 -10.964 2.916 -1.306 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.724 1.981 -3.959 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.881 3.282 -2.292 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.143 3.031 -4.007 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.499 0.564 -3.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.667 0.936 -1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.870 1.563 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.734 -0.013 -3.111 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.810 2.361 -1.907 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.803 -0.453 -1.190 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.234 -0.468 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.360 2.335 0.293 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.676 1.104 1.360 1.00 0.00 H new ATOM 695 N ALA A 47 -11.176 4.029 -5.509 1.00 0.00 N ATOM 696 CA ALA A 47 -10.994 5.164 -6.406 1.00 0.00 C ATOM 697 C ALA A 47 -12.072 6.219 -6.181 1.00 0.00 C ATOM 698 O ALA A 47 -12.061 7.276 -6.812 1.00 0.00 O ATOM 699 CB ALA A 47 -11.002 4.699 -7.855 1.00 0.00 C ATOM 0 H ALA A 47 -11.567 3.199 -5.953 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.027 5.617 -6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.865 5.557 -8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.192 3.987 -8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.955 4.219 -8.078 1.00 0.00 H new ATOM 705 N ASP A 48 -13.003 5.925 -5.280 1.00 0.00 N ATOM 706 CA ASP A 48 -14.088 6.848 -4.972 1.00 0.00 C ATOM 707 C ASP A 48 -14.094 7.205 -3.489 1.00 0.00 C ATOM 708 O ASP A 48 -15.062 7.770 -2.980 1.00 0.00 O ATOM 709 CB ASP A 48 -15.434 6.238 -5.367 1.00 0.00 C ATOM 710 CG ASP A 48 -16.497 7.290 -5.613 1.00 0.00 C ATOM 711 OD1 ASP A 48 -17.132 7.732 -4.633 1.00 0.00 O ATOM 712 OD2 ASP A 48 -16.695 7.671 -6.786 1.00 0.00 O ATOM 0 H ASP A 48 -13.028 5.054 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.929 7.760 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -15.307 5.637 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.769 5.564 -4.579 1.00 0.00 H new ATOM 717 N GLU A 49 -13.006 6.871 -2.801 1.00 0.00 N ATOM 718 CA GLU A 49 -12.888 7.155 -1.375 1.00 0.00 C ATOM 719 C GLU A 49 -12.404 8.583 -1.144 1.00 0.00 C ATOM 720 O GLU A 49 -11.941 9.251 -2.068 1.00 0.00 O ATOM 721 CB GLU A 49 -11.926 6.165 -0.714 1.00 0.00 C ATOM 722 CG GLU A 49 -12.612 4.929 -0.159 1.00 0.00 C ATOM 723 CD GLU A 49 -13.285 5.184 1.176 1.00 0.00 C ATOM 724 OE1 GLU A 49 -12.625 5.743 2.076 1.00 0.00 O ATOM 725 OE2 GLU A 49 -14.473 4.826 1.319 1.00 0.00 O ATOM 0 H GLU A 49 -12.195 6.404 -3.207 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.875 7.047 -0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -11.176 5.858 -1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.397 6.670 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.355 4.578 -0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.878 4.131 -0.045 1.00 0.00 H new ATOM 732 N ALA A 50 -12.515 9.046 0.097 1.00 0.00 N ATOM 733 CA ALA A 50 -12.087 10.393 0.452 1.00 0.00 C ATOM 734 C ALA A 50 -10.872 10.360 1.373 1.00 0.00 C ATOM 735 O ALA A 50 -10.153 11.351 1.503 1.00 0.00 O ATOM 736 CB ALA A 50 -13.230 11.153 1.109 1.00 0.00 C ATOM 0 H ALA A 50 -12.898 8.507 0.874 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.800 10.909 -0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.897 12.158 1.369 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.070 11.217 0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.543 10.629 2.012 1.00 0.00 H new ATOM 742 N ARG A 51 -10.650 9.215 2.010 1.00 0.00 N ATOM 743 CA ARG A 51 -9.523 9.054 2.920 1.00 0.00 C ATOM 744 C ARG A 51 -8.897 7.670 2.771 1.00 0.00 C ATOM 745 O ARG A 51 -9.581 6.647 2.793 1.00 0.00 O ATOM 746 CB ARG A 51 -9.973 9.269 4.366 1.00 0.00 C ATOM 747 CG ARG A 51 -10.077 10.733 4.760 1.00 0.00 C ATOM 748 CD ARG A 51 -10.662 10.894 6.155 1.00 0.00 C ATOM 749 NE ARG A 51 -12.117 11.013 6.127 1.00 0.00 N ATOM 750 CZ ARG A 51 -12.941 9.973 6.186 1.00 0.00 C ATOM 751 NH1 ARG A 51 -12.455 8.743 6.275 1.00 0.00 N ATOM 752 NH2 ARG A 51 -14.254 10.162 6.156 1.00 0.00 N ATOM 0 H ARG A 51 -11.236 8.386 1.913 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.773 9.802 2.665 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.943 8.793 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -9.271 8.771 5.034 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.089 11.192 4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.701 11.262 4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.380 10.038 6.768 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -10.235 11.778 6.628 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.523 11.946 6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.446 8.594 6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.090 7.946 6.320 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -14.632 11.107 6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -14.886 9.362 6.201 1.00 0.00 H new ATOM 766 N PRO A 52 -7.565 7.636 2.615 1.00 0.00 N ATOM 767 CA PRO A 52 -6.818 6.384 2.459 1.00 0.00 C ATOM 768 C PRO A 52 -6.787 5.565 3.745 1.00 0.00 C ATOM 769 O PRO A 52 -6.934 6.105 4.840 1.00 0.00 O ATOM 770 CB PRO A 52 -5.409 6.856 2.091 1.00 0.00 C ATOM 771 CG PRO A 52 -5.306 8.226 2.666 1.00 0.00 C ATOM 772 CD PRO A 52 -6.686 8.817 2.579 1.00 0.00 C ATOM 0 HA PRO A 52 -7.270 5.728 1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.649 6.194 2.506 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.265 6.868 1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.961 8.190 3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.588 8.829 2.111 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.887 9.493 3.410 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.821 9.390 1.662 1.00 0.00 H new ATOM 780 N ASN A 53 -6.594 4.257 3.603 1.00 0.00 N ATOM 781 CA ASN A 53 -6.543 3.363 4.753 1.00 0.00 C ATOM 782 C ASN A 53 -5.111 3.203 5.255 1.00 0.00 C ATOM 783 O ASN A 53 -4.336 2.414 4.715 1.00 0.00 O ATOM 784 CB ASN A 53 -7.123 1.995 4.388 1.00 0.00 C ATOM 785 CG ASN A 53 -8.622 2.042 4.167 1.00 0.00 C ATOM 786 OD1 ASN A 53 -9.395 2.209 5.110 1.00 0.00 O ATOM 787 ND2 ASN A 53 -9.040 1.896 2.915 1.00 0.00 N ATOM 0 H ASN A 53 -6.470 3.794 2.703 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.142 3.803 5.550 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.637 1.627 3.485 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.898 1.284 5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.038 1.920 2.704 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.363 1.760 2.164 1.00 0.00 H new ATOM 794 N THR A 54 -4.767 3.958 6.294 1.00 0.00 N ATOM 795 CA THR A 54 -3.429 3.901 6.870 1.00 0.00 C ATOM 796 C THR A 54 -3.199 2.581 7.598 1.00 0.00 C ATOM 797 O THR A 54 -4.091 2.074 8.279 1.00 0.00 O ATOM 798 CB THR A 54 -3.190 5.064 7.851 1.00 0.00 C ATOM 799 OG1 THR A 54 -3.778 6.265 7.340 1.00 0.00 O ATOM 800 CG2 THR A 54 -1.702 5.280 8.081 1.00 0.00 C ATOM 0 H THR A 54 -5.396 4.616 6.754 1.00 0.00 H new ATOM 0 HA THR A 54 -2.725 3.983 6.042 1.00 0.00 H new ATOM 0 HB THR A 54 -3.656 4.809 8.803 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.623 6.999 7.970 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.558 6.106 8.777 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.263 4.374 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.218 5.515 7.133 1.00 0.00 H new ATOM 808 N ILE A 55 -1.999 2.031 7.450 1.00 0.00 N ATOM 809 CA ILE A 55 -1.652 0.771 8.095 1.00 0.00 C ATOM 810 C ILE A 55 -0.178 0.740 8.485 1.00 0.00 C ATOM 811 O ILE A 55 0.681 1.209 7.739 1.00 0.00 O ATOM 812 CB ILE A 55 -1.955 -0.432 7.182 1.00 0.00 C ATOM 813 CG1 ILE A 55 -3.404 -0.376 6.692 1.00 0.00 C ATOM 814 CG2 ILE A 55 -1.689 -1.736 7.918 1.00 0.00 C ATOM 815 CD1 ILE A 55 -3.703 -1.353 5.577 1.00 0.00 C ATOM 0 H ILE A 55 -1.251 2.438 6.889 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.265 0.698 8.993 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.296 -0.386 6.315 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.071 -0.579 7.530 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.624 0.634 6.347 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.908 -2.577 7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.643 -1.776 8.222 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.325 -1.792 8.801 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.747 -1.258 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.062 -1.137 4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.516 -2.369 5.924 1.00 0.00 H new ATOM 827 N ASP A 56 0.106 0.183 9.657 1.00 0.00 N ATOM 828 CA ASP A 56 1.477 0.088 10.145 1.00 0.00 C ATOM 829 C ASP A 56 2.086 -1.267 9.795 1.00 0.00 C ATOM 830 O ASP A 56 1.459 -2.309 9.986 1.00 0.00 O ATOM 831 CB ASP A 56 1.518 0.303 11.659 1.00 0.00 C ATOM 832 CG ASP A 56 2.929 0.499 12.178 1.00 0.00 C ATOM 833 OD1 ASP A 56 3.778 -0.386 11.938 1.00 0.00 O ATOM 834 OD2 ASP A 56 3.185 1.536 12.823 1.00 0.00 O ATOM 0 H ASP A 56 -0.594 -0.209 10.286 1.00 0.00 H new ATOM 0 HA ASP A 56 2.064 0.867 9.659 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.915 1.174 11.916 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.067 -0.555 12.157 1.00 0.00 H new ATOM 839 N PHE A 57 3.311 -1.244 9.280 1.00 0.00 N ATOM 840 CA PHE A 57 4.004 -2.470 8.901 1.00 0.00 C ATOM 841 C PHE A 57 5.454 -2.443 9.374 1.00 0.00 C ATOM 842 O PHE A 57 6.126 -1.416 9.293 1.00 0.00 O ATOM 843 CB PHE A 57 3.954 -2.661 7.384 1.00 0.00 C ATOM 844 CG PHE A 57 2.665 -3.260 6.898 1.00 0.00 C ATOM 845 CD1 PHE A 57 2.366 -4.590 7.149 1.00 0.00 C ATOM 846 CD2 PHE A 57 1.753 -2.495 6.189 1.00 0.00 C ATOM 847 CE1 PHE A 57 1.181 -5.145 6.703 1.00 0.00 C ATOM 848 CE2 PHE A 57 0.567 -3.044 5.741 1.00 0.00 C ATOM 849 CZ PHE A 57 0.281 -4.371 5.997 1.00 0.00 C ATOM 0 H PHE A 57 3.844 -0.390 9.116 1.00 0.00 H new ATOM 0 HA PHE A 57 3.499 -3.307 9.382 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.103 -1.696 6.899 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.781 -3.302 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.067 -5.200 7.699 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.972 -1.457 5.984 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.959 -6.182 6.906 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.136 -2.436 5.191 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.645 -4.802 5.646 1.00 0.00 H new ATOM 859 N GLY A 58 5.930 -3.581 9.869 1.00 0.00 N ATOM 860 CA GLY A 58 7.297 -3.668 10.349 1.00 0.00 C ATOM 861 C GLY A 58 8.273 -4.050 9.253 1.00 0.00 C ATOM 862 O GLY A 58 7.902 -4.711 8.283 1.00 0.00 O ATOM 0 H GLY A 58 5.393 -4.445 9.946 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.591 -2.709 10.775 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.351 -4.403 11.152 1.00 0.00 H new ATOM 866 N LYS A 59 9.525 -3.632 9.406 1.00 0.00 N ATOM 867 CA LYS A 59 10.558 -3.934 8.422 1.00 0.00 C ATOM 868 C LYS A 59 10.472 -5.388 7.972 1.00 0.00 C ATOM 869 O LYS A 59 10.942 -5.742 6.890 1.00 0.00 O ATOM 870 CB LYS A 59 11.945 -3.651 9.005 1.00 0.00 C ATOM 871 CG LYS A 59 12.309 -4.550 10.173 1.00 0.00 C ATOM 872 CD LYS A 59 13.778 -4.423 10.539 1.00 0.00 C ATOM 873 CE LYS A 59 14.079 -5.080 11.878 1.00 0.00 C ATOM 874 NZ LYS A 59 15.489 -5.550 11.960 1.00 0.00 N ATOM 0 H LYS A 59 9.849 -3.083 10.202 1.00 0.00 H new ATOM 0 HA LYS A 59 10.397 -3.293 7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.691 -3.770 8.219 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.988 -2.612 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.695 -4.293 11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.085 -5.586 9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.389 -4.883 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.054 -3.369 10.580 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.885 -4.370 12.682 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.406 -5.924 12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.654 -5.992 12.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.667 -6.246 11.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.132 -4.741 11.842 1.00 0.00 H new ATOM 888 N ASP A 60 9.868 -6.227 8.806 1.00 0.00 N ATOM 889 CA ASP A 60 9.718 -7.643 8.492 1.00 0.00 C ATOM 890 C ASP A 60 8.583 -7.862 7.497 1.00 0.00 C ATOM 891 O ASP A 60 8.684 -8.696 6.597 1.00 0.00 O ATOM 892 CB ASP A 60 9.456 -8.445 9.767 1.00 0.00 C ATOM 893 CG ASP A 60 9.785 -9.916 9.604 1.00 0.00 C ATOM 894 OD1 ASP A 60 10.961 -10.234 9.332 1.00 0.00 O ATOM 895 OD2 ASP A 60 8.866 -10.750 9.748 1.00 0.00 O ATOM 0 H ASP A 60 9.474 -5.951 9.705 1.00 0.00 H new ATOM 0 HA ASP A 60 10.647 -7.989 8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.050 -8.031 10.582 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.409 -8.339 10.051 1.00 0.00 H new ATOM 900 N ASP A 61 7.503 -7.107 7.664 1.00 0.00 N ATOM 901 CA ASP A 61 6.348 -7.218 6.780 1.00 0.00 C ATOM 902 C ASP A 61 6.682 -6.708 5.382 1.00 0.00 C ATOM 903 O ASP A 61 6.649 -5.504 5.126 1.00 0.00 O ATOM 904 CB ASP A 61 5.164 -6.436 7.352 1.00 0.00 C ATOM 905 CG ASP A 61 4.298 -7.282 8.265 1.00 0.00 C ATOM 906 OD1 ASP A 61 4.788 -7.686 9.340 1.00 0.00 O ATOM 907 OD2 ASP A 61 3.131 -7.540 7.903 1.00 0.00 O ATOM 0 H ASP A 61 7.403 -6.411 8.403 1.00 0.00 H new ATOM 0 HA ASP A 61 6.077 -8.271 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.535 -5.573 7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.556 -6.052 6.533 1.00 0.00 H new ATOM 912 N GLN A 62 7.006 -7.631 4.483 1.00 0.00 N ATOM 913 CA GLN A 62 7.349 -7.273 3.111 1.00 0.00 C ATOM 914 C GLN A 62 6.182 -7.550 2.169 1.00 0.00 C ATOM 915 O GLN A 62 6.294 -7.371 0.956 1.00 0.00 O ATOM 916 CB GLN A 62 8.585 -8.050 2.653 1.00 0.00 C ATOM 917 CG GLN A 62 9.861 -7.639 3.369 1.00 0.00 C ATOM 918 CD GLN A 62 11.080 -8.384 2.862 1.00 0.00 C ATOM 919 OE1 GLN A 62 11.614 -9.261 3.543 1.00 0.00 O ATOM 920 NE2 GLN A 62 11.528 -8.040 1.660 1.00 0.00 N ATOM 0 H GLN A 62 7.038 -8.631 4.679 1.00 0.00 H new ATOM 0 HA GLN A 62 7.569 -6.206 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 62 8.415 -9.115 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.718 -7.907 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.016 -6.568 3.242 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.748 -7.820 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.055 -7.308 1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.345 -8.508 1.267 1.00 0.00 H new ATOM 929 N HIS A 63 5.061 -7.987 2.735 1.00 0.00 N ATOM 930 CA HIS A 63 3.873 -8.288 1.945 1.00 0.00 C ATOM 931 C HIS A 63 2.625 -8.300 2.823 1.00 0.00 C ATOM 932 O HIS A 63 2.718 -8.295 4.051 1.00 0.00 O ATOM 933 CB HIS A 63 4.030 -9.637 1.243 1.00 0.00 C ATOM 934 CG HIS A 63 4.831 -10.631 2.026 1.00 0.00 C ATOM 935 ND1 HIS A 63 6.118 -10.994 1.690 1.00 0.00 N ATOM 936 CD2 HIS A 63 4.521 -11.338 3.138 1.00 0.00 C ATOM 937 CE1 HIS A 63 6.564 -11.882 2.559 1.00 0.00 C ATOM 938 NE2 HIS A 63 5.614 -12.108 3.449 1.00 0.00 N ATOM 0 H HIS A 63 4.951 -8.140 3.737 1.00 0.00 H new ATOM 0 HA HIS A 63 3.759 -7.507 1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.041 -10.053 1.048 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.507 -9.480 0.275 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.587 -11.303 3.680 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.540 -12.345 2.545 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.682 -12.750 4.239 1.00 0.00 H new ATOM 947 N PHE A 64 1.459 -8.315 2.186 1.00 0.00 N ATOM 948 CA PHE A 64 0.193 -8.326 2.909 1.00 0.00 C ATOM 949 C PHE A 64 -0.902 -8.987 2.078 1.00 0.00 C ATOM 950 O PHE A 64 -0.903 -8.903 0.849 1.00 0.00 O ATOM 951 CB PHE A 64 -0.221 -6.899 3.276 1.00 0.00 C ATOM 952 CG PHE A 64 -1.308 -6.838 4.311 1.00 0.00 C ATOM 953 CD1 PHE A 64 -1.099 -7.340 5.585 1.00 0.00 C ATOM 954 CD2 PHE A 64 -2.539 -6.279 4.009 1.00 0.00 C ATOM 955 CE1 PHE A 64 -2.099 -7.286 6.538 1.00 0.00 C ATOM 956 CE2 PHE A 64 -3.542 -6.222 4.958 1.00 0.00 C ATOM 957 CZ PHE A 64 -3.321 -6.725 6.225 1.00 0.00 C ATOM 0 H PHE A 64 1.365 -8.320 1.170 1.00 0.00 H new ATOM 0 HA PHE A 64 0.330 -8.904 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.651 -6.359 3.645 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.558 -6.384 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.145 -7.778 5.837 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.717 -5.883 3.020 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.924 -7.683 7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.498 -5.785 4.709 1.00 0.00 H new ATOM 0 HZ PHE A 64 -4.102 -6.680 6.969 1.00 0.00 H new ATOM 967 N THR A 65 -1.835 -9.648 2.757 1.00 0.00 N ATOM 968 CA THR A 65 -2.935 -10.326 2.083 1.00 0.00 C ATOM 969 C THR A 65 -4.254 -9.598 2.315 1.00 0.00 C ATOM 970 O THR A 65 -4.769 -9.566 3.433 1.00 0.00 O ATOM 971 CB THR A 65 -3.075 -11.783 2.562 1.00 0.00 C ATOM 972 OG1 THR A 65 -1.893 -12.522 2.235 1.00 0.00 O ATOM 973 CG2 THR A 65 -4.287 -12.448 1.927 1.00 0.00 C ATOM 0 H THR A 65 -1.850 -9.728 3.774 1.00 0.00 H new ATOM 0 HA THR A 65 -2.703 -10.322 1.018 1.00 0.00 H new ATOM 0 HB THR A 65 -3.210 -11.775 3.644 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.989 -13.447 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.365 -13.476 2.281 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.188 -11.900 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.177 -12.445 0.843 1.00 0.00 H new ATOM 981 N VAL A 66 -4.798 -9.013 1.252 1.00 0.00 N ATOM 982 CA VAL A 66 -6.059 -8.287 1.340 1.00 0.00 C ATOM 983 C VAL A 66 -7.209 -9.112 0.775 1.00 0.00 C ATOM 984 O VAL A 66 -7.148 -9.590 -0.359 1.00 0.00 O ATOM 985 CB VAL A 66 -5.987 -6.944 0.588 1.00 0.00 C ATOM 986 CG1 VAL A 66 -7.291 -6.177 0.738 1.00 0.00 C ATOM 987 CG2 VAL A 66 -4.811 -6.117 1.086 1.00 0.00 C ATOM 0 H VAL A 66 -4.385 -9.028 0.320 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.240 -8.094 2.397 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.834 -7.149 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.221 -5.231 0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.110 -6.768 0.328 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.478 -5.981 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.775 -5.172 0.544 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.930 -5.920 2.151 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.884 -6.666 0.920 1.00 0.00 H new ATOM 997 N THR A 67 -8.260 -9.277 1.572 1.00 0.00 N ATOM 998 CA THR A 67 -9.425 -10.045 1.153 1.00 0.00 C ATOM 999 C THR A 67 -10.714 -9.270 1.403 1.00 0.00 C ATOM 1000 O THR A 67 -10.780 -8.428 2.297 1.00 0.00 O ATOM 1001 CB THR A 67 -9.501 -11.396 1.888 1.00 0.00 C ATOM 1002 OG1 THR A 67 -9.709 -11.182 3.288 1.00 0.00 O ATOM 1003 CG2 THR A 67 -8.227 -12.200 1.676 1.00 0.00 C ATOM 0 H THR A 67 -8.328 -8.888 2.513 1.00 0.00 H new ATOM 0 HA THR A 67 -9.315 -10.227 0.084 1.00 0.00 H new ATOM 0 HB THR A 67 -10.340 -11.960 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.758 -12.046 3.747 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.304 -13.150 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 67 -8.088 -12.387 0.611 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.375 -11.639 2.060 1.00 0.00 H new ATOM 1011 N GLY A 68 -11.738 -9.561 0.606 1.00 0.00 N ATOM 1012 CA GLY A 68 -13.012 -8.882 0.758 1.00 0.00 C ATOM 1013 C GLY A 68 -13.136 -7.672 -0.146 1.00 0.00 C ATOM 1014 O GLY A 68 -14.116 -6.929 -0.070 1.00 0.00 O ATOM 0 H GLY A 68 -11.708 -10.254 -0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.820 -9.580 0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.132 -8.570 1.796 1.00 0.00 H new ATOM 1018 N LEU A 69 -12.141 -7.471 -1.002 1.00 0.00 N ATOM 1019 CA LEU A 69 -12.141 -6.341 -1.924 1.00 0.00 C ATOM 1020 C LEU A 69 -13.359 -6.387 -2.842 1.00 0.00 C ATOM 1021 O LEU A 69 -13.681 -7.430 -3.411 1.00 0.00 O ATOM 1022 CB LEU A 69 -10.859 -6.338 -2.759 1.00 0.00 C ATOM 1023 CG LEU A 69 -9.576 -5.964 -2.017 1.00 0.00 C ATOM 1024 CD1 LEU A 69 -8.354 -6.355 -2.833 1.00 0.00 C ATOM 1025 CD2 LEU A 69 -9.555 -4.475 -1.702 1.00 0.00 C ATOM 0 H LEU A 69 -11.323 -8.076 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 69 -12.186 -5.424 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.729 -7.330 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.991 -5.643 -3.588 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.551 -6.514 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.450 -6.081 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.361 -7.431 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.373 -5.834 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.634 -4.228 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.605 -3.906 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.411 -4.223 -1.076 1.00 0.00 H new ATOM 1037 N HIS A 70 -14.031 -5.249 -2.982 1.00 0.00 N ATOM 1038 CA HIS A 70 -15.212 -5.159 -3.833 1.00 0.00 C ATOM 1039 C HIS A 70 -14.846 -5.386 -5.297 1.00 0.00 C ATOM 1040 O HIS A 70 -14.153 -4.573 -5.908 1.00 0.00 O ATOM 1041 CB HIS A 70 -15.882 -3.794 -3.669 1.00 0.00 C ATOM 1042 CG HIS A 70 -16.882 -3.747 -2.555 1.00 0.00 C ATOM 1043 ND1 HIS A 70 -18.020 -2.971 -2.597 1.00 0.00 N ATOM 1044 CD2 HIS A 70 -16.910 -4.389 -1.363 1.00 0.00 C ATOM 1045 CE1 HIS A 70 -18.705 -3.135 -1.479 1.00 0.00 C ATOM 1046 NE2 HIS A 70 -18.053 -3.991 -0.714 1.00 0.00 N ATOM 0 H HIS A 70 -13.778 -4.377 -2.517 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.910 -5.938 -3.526 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.115 -3.041 -3.489 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.378 -3.527 -4.602 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -16.171 -5.084 -0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.639 -2.651 -1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -18.350 -4.306 0.210 1.00 0.00 H new ATOM 1055 N LYS A 71 -15.316 -6.497 -5.853 1.00 0.00 N ATOM 1056 CA LYS A 71 -15.039 -6.833 -7.245 1.00 0.00 C ATOM 1057 C LYS A 71 -15.586 -5.761 -8.182 1.00 0.00 C ATOM 1058 O LYS A 71 -16.480 -4.999 -7.815 1.00 0.00 O ATOM 1059 CB LYS A 71 -15.649 -8.192 -7.595 1.00 0.00 C ATOM 1060 CG LYS A 71 -17.155 -8.248 -7.406 1.00 0.00 C ATOM 1061 CD LYS A 71 -17.739 -9.535 -7.965 1.00 0.00 C ATOM 1062 CE LYS A 71 -18.981 -9.963 -7.198 1.00 0.00 C ATOM 1063 NZ LYS A 71 -19.934 -10.715 -8.061 1.00 0.00 N ATOM 0 H LYS A 71 -15.891 -7.181 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.958 -6.884 -7.372 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.412 -8.431 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.185 -8.960 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.393 -8.170 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.617 -7.393 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.990 -9.395 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.990 -10.326 -7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.689 -10.585 -6.352 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.477 -9.082 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -20.767 -10.989 -7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -20.233 -10.113 -8.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -19.469 -11.569 -8.430 1.00 0.00 H new ATOM 1077 N GLY A 72 -15.045 -5.710 -9.395 1.00 0.00 N ATOM 1078 CA GLY A 72 -15.493 -4.729 -10.367 1.00 0.00 C ATOM 1079 C GLY A 72 -15.298 -3.305 -9.885 1.00 0.00 C ATOM 1080 O GLY A 72 -16.078 -2.414 -10.223 1.00 0.00 O ATOM 0 H GLY A 72 -14.304 -6.330 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.948 -4.871 -11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.548 -4.894 -10.586 1.00 0.00 H new ATOM 1084 N THR A 73 -14.254 -3.088 -9.091 1.00 0.00 N ATOM 1085 CA THR A 73 -13.960 -1.763 -8.559 1.00 0.00 C ATOM 1086 C THR A 73 -12.467 -1.462 -8.628 1.00 0.00 C ATOM 1087 O THR A 73 -11.636 -2.367 -8.550 1.00 0.00 O ATOM 1088 CB THR A 73 -14.433 -1.626 -7.099 1.00 0.00 C ATOM 1089 OG1 THR A 73 -15.863 -1.670 -7.042 1.00 0.00 O ATOM 1090 CG2 THR A 73 -13.936 -0.324 -6.489 1.00 0.00 C ATOM 0 H THR A 73 -13.598 -3.813 -8.802 1.00 0.00 H new ATOM 0 HA THR A 73 -14.501 -1.047 -9.177 1.00 0.00 H new ATOM 0 HB THR A 73 -14.021 -2.457 -6.527 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.156 -1.584 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 73 -14.282 -0.250 -5.458 1.00 0.00 H new ATOM 0 HG22 THR A 73 -12.846 -0.306 -6.508 1.00 0.00 H new ATOM 0 HG23 THR A 73 -14.323 0.518 -7.063 1.00 0.00 H new ATOM 1098 N THR A 74 -12.132 -0.183 -8.773 1.00 0.00 N ATOM 1099 CA THR A 74 -10.739 0.237 -8.852 1.00 0.00 C ATOM 1100 C THR A 74 -10.216 0.667 -7.486 1.00 0.00 C ATOM 1101 O THR A 74 -10.978 1.127 -6.635 1.00 0.00 O ATOM 1102 CB THR A 74 -10.559 1.399 -9.847 1.00 0.00 C ATOM 1103 OG1 THR A 74 -10.716 0.924 -11.189 1.00 0.00 O ATOM 1104 CG2 THR A 74 -9.189 2.041 -9.688 1.00 0.00 C ATOM 0 H THR A 74 -12.807 0.579 -8.838 1.00 0.00 H new ATOM 0 HA THR A 74 -10.168 -0.623 -9.202 1.00 0.00 H new ATOM 0 HB THR A 74 -11.321 2.149 -9.636 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.602 1.669 -11.815 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.085 2.859 -10.401 1.00 0.00 H new ATOM 0 HG22 THR A 74 -9.084 2.428 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.415 1.297 -9.874 1.00 0.00 H new ATOM 1112 N TYR A 75 -8.912 0.517 -7.283 1.00 0.00 N ATOM 1113 CA TYR A 75 -8.287 0.888 -6.020 1.00 0.00 C ATOM 1114 C TYR A 75 -6.951 1.585 -6.257 1.00 0.00 C ATOM 1115 O TYR A 75 -6.395 1.529 -7.354 1.00 0.00 O ATOM 1116 CB TYR A 75 -8.081 -0.350 -5.145 1.00 0.00 C ATOM 1117 CG TYR A 75 -9.325 -0.779 -4.400 1.00 0.00 C ATOM 1118 CD1 TYR A 75 -9.633 -0.243 -3.156 1.00 0.00 C ATOM 1119 CD2 TYR A 75 -10.192 -1.721 -4.940 1.00 0.00 C ATOM 1120 CE1 TYR A 75 -10.767 -0.632 -2.471 1.00 0.00 C ATOM 1121 CE2 TYR A 75 -11.329 -2.115 -4.263 1.00 0.00 C ATOM 1122 CZ TYR A 75 -11.613 -1.568 -3.029 1.00 0.00 C ATOM 1123 OH TYR A 75 -12.745 -1.959 -2.351 1.00 0.00 O ATOM 0 H TYR A 75 -8.267 0.141 -7.978 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.952 1.582 -5.505 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.740 -1.175 -5.771 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.288 -0.148 -4.425 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.974 0.491 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.973 -2.152 -5.906 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -10.990 -0.206 -1.504 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.993 -2.848 -4.697 1.00 0.00 H new ATOM 0 HH TYR A 75 -12.581 -2.818 -1.908 1.00 0.00 H new ATOM 1133 N ILE A 76 -6.441 2.241 -5.219 1.00 0.00 N ATOM 1134 CA ILE A 76 -5.170 2.948 -5.313 1.00 0.00 C ATOM 1135 C ILE A 76 -4.279 2.637 -4.115 1.00 0.00 C ATOM 1136 O ILE A 76 -4.485 3.163 -3.021 1.00 0.00 O ATOM 1137 CB ILE A 76 -5.378 4.471 -5.403 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -6.479 4.799 -6.414 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -4.077 5.161 -5.786 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -7.243 6.062 -6.086 1.00 0.00 C ATOM 0 H ILE A 76 -6.889 2.297 -4.304 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.683 2.602 -6.225 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.688 4.839 -4.425 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.034 4.900 -7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.177 3.964 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.240 6.237 -5.846 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.318 4.950 -5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.740 4.791 -6.754 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.007 6.232 -6.844 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.717 5.957 -5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.556 6.908 -6.066 1.00 0.00 H new ATOM 1152 N PHE A 77 -3.286 1.781 -4.330 1.00 0.00 N ATOM 1153 CA PHE A 77 -2.361 1.400 -3.268 1.00 0.00 C ATOM 1154 C PHE A 77 -1.164 2.346 -3.224 1.00 0.00 C ATOM 1155 O PHE A 77 -0.676 2.794 -4.262 1.00 0.00 O ATOM 1156 CB PHE A 77 -1.882 -0.039 -3.470 1.00 0.00 C ATOM 1157 CG PHE A 77 -2.910 -1.070 -3.102 1.00 0.00 C ATOM 1158 CD1 PHE A 77 -3.904 -1.428 -3.999 1.00 0.00 C ATOM 1159 CD2 PHE A 77 -2.883 -1.681 -1.859 1.00 0.00 C ATOM 1160 CE1 PHE A 77 -4.851 -2.377 -3.664 1.00 0.00 C ATOM 1161 CE2 PHE A 77 -3.827 -2.631 -1.518 1.00 0.00 C ATOM 1162 CZ PHE A 77 -4.813 -2.979 -2.421 1.00 0.00 C ATOM 0 H PHE A 77 -3.101 1.338 -5.230 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.891 1.468 -2.318 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.599 -0.176 -4.514 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.985 -0.202 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.939 -0.960 -4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.116 -1.412 -1.148 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.620 -2.648 -4.373 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.794 -3.101 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.553 -3.720 -2.156 1.00 0.00 H new ATOM 1172 N ARG A 78 -0.697 2.644 -2.016 1.00 0.00 N ATOM 1173 CA ARG A 78 0.441 3.537 -1.837 1.00 0.00 C ATOM 1174 C ARG A 78 1.292 3.101 -0.647 1.00 0.00 C ATOM 1175 O ARG A 78 0.784 2.926 0.462 1.00 0.00 O ATOM 1176 CB ARG A 78 -0.039 4.975 -1.635 1.00 0.00 C ATOM 1177 CG ARG A 78 -0.570 5.624 -2.903 1.00 0.00 C ATOM 1178 CD ARG A 78 -0.615 7.139 -2.776 1.00 0.00 C ATOM 1179 NE ARG A 78 -1.676 7.724 -3.591 1.00 0.00 N ATOM 1180 CZ ARG A 78 -2.154 8.950 -3.404 1.00 0.00 C ATOM 1181 NH1 ARG A 78 -1.667 9.715 -2.437 1.00 0.00 N ATOM 1182 NH2 ARG A 78 -3.121 9.412 -4.186 1.00 0.00 N ATOM 0 H ARG A 78 -1.089 2.280 -1.147 1.00 0.00 H new ATOM 0 HA ARG A 78 1.054 3.489 -2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.822 4.985 -0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.786 5.574 -1.249 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.062 5.347 -3.747 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.570 5.246 -3.116 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.768 7.411 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.346 7.557 -3.077 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.072 7.162 -4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.923 9.363 -1.834 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.036 10.655 -2.296 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.498 8.826 -4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.488 10.353 -4.042 1.00 0.00 H new ATOM 1196 N LEU A 79 2.587 2.927 -0.884 1.00 0.00 N ATOM 1197 CA LEU A 79 3.508 2.511 0.167 1.00 0.00 C ATOM 1198 C LEU A 79 4.642 3.519 0.327 1.00 0.00 C ATOM 1199 O LEU A 79 4.952 4.272 -0.595 1.00 0.00 O ATOM 1200 CB LEU A 79 4.081 1.128 -0.147 1.00 0.00 C ATOM 1201 CG LEU A 79 4.887 0.465 0.971 1.00 0.00 C ATOM 1202 CD1 LEU A 79 3.976 0.066 2.121 1.00 0.00 C ATOM 1203 CD2 LEU A 79 5.640 -0.745 0.440 1.00 0.00 C ATOM 0 H LEU A 79 3.023 3.068 -1.795 1.00 0.00 H new ATOM 0 HA LEU A 79 2.953 2.463 1.104 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.256 0.467 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.719 1.212 -1.027 1.00 0.00 H new ATOM 0 HG LEU A 79 5.615 1.185 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.567 -0.404 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.483 0.953 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.224 -0.637 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.208 -1.204 1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.930 -1.468 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.323 -0.431 -0.350 1.00 0.00 H new ATOM 1215 N ALA A 80 5.260 3.525 1.504 1.00 0.00 N ATOM 1216 CA ALA A 80 6.362 4.436 1.784 1.00 0.00 C ATOM 1217 C ALA A 80 7.367 3.806 2.742 1.00 0.00 C ATOM 1218 O ALA A 80 6.991 3.065 3.650 1.00 0.00 O ATOM 1219 CB ALA A 80 5.834 5.744 2.355 1.00 0.00 C ATOM 0 H ALA A 80 5.015 2.908 2.279 1.00 0.00 H new ATOM 0 HA ALA A 80 6.876 4.643 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.668 6.415 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.162 6.210 1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.293 5.545 3.280 1.00 0.00 H new ATOM 1225 N ALA A 81 8.645 4.104 2.534 1.00 0.00 N ATOM 1226 CA ALA A 81 9.703 3.567 3.380 1.00 0.00 C ATOM 1227 C ALA A 81 9.957 4.471 4.582 1.00 0.00 C ATOM 1228 O ALA A 81 9.794 5.689 4.501 1.00 0.00 O ATOM 1229 CB ALA A 81 10.981 3.384 2.575 1.00 0.00 C ATOM 0 H ALA A 81 8.973 4.715 1.786 1.00 0.00 H new ATOM 0 HA ALA A 81 9.379 2.595 3.752 1.00 0.00 H new ATOM 0 HB1 ALA A 81 11.763 2.982 3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.797 2.692 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 81 11.300 4.346 2.175 1.00 0.00 H new ATOM 1235 N LYS A 82 10.356 3.868 5.696 1.00 0.00 N ATOM 1236 CA LYS A 82 10.634 4.618 6.915 1.00 0.00 C ATOM 1237 C LYS A 82 12.033 4.310 7.437 1.00 0.00 C ATOM 1238 O LYS A 82 12.363 3.157 7.713 1.00 0.00 O ATOM 1239 CB LYS A 82 9.594 4.290 7.989 1.00 0.00 C ATOM 1240 CG LYS A 82 9.368 5.417 8.982 1.00 0.00 C ATOM 1241 CD LYS A 82 8.146 5.160 9.849 1.00 0.00 C ATOM 1242 CE LYS A 82 8.038 3.693 10.238 1.00 0.00 C ATOM 1243 NZ LYS A 82 7.250 3.508 11.488 1.00 0.00 N ATOM 0 H LYS A 82 10.494 2.861 5.780 1.00 0.00 H new ATOM 0 HA LYS A 82 10.580 5.680 6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.648 4.049 7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.912 3.399 8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.248 5.527 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.243 6.357 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.201 5.773 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.247 5.462 9.312 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.569 3.136 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.037 3.279 10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.199 2.495 11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.711 4.019 12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.289 3.880 11.351 1.00 0.00 H new ATOM 1257 N ASN A 83 12.852 5.348 7.572 1.00 0.00 N ATOM 1258 CA ASN A 83 14.216 5.188 8.062 1.00 0.00 C ATOM 1259 C ASN A 83 14.417 5.946 9.371 1.00 0.00 C ATOM 1260 O ASN A 83 13.495 6.587 9.876 1.00 0.00 O ATOM 1261 CB ASN A 83 15.218 5.680 7.015 1.00 0.00 C ATOM 1262 CG ASN A 83 14.916 7.089 6.544 1.00 0.00 C ATOM 1263 OD1 ASN A 83 14.007 7.745 7.054 1.00 0.00 O ATOM 1264 ND2 ASN A 83 15.679 7.562 5.566 1.00 0.00 N ATOM 0 H ASN A 83 12.594 6.309 7.349 1.00 0.00 H new ATOM 0 HA ASN A 83 14.386 4.127 8.248 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.223 5.648 7.435 1.00 0.00 H new ATOM 0 HB3 ASN A 83 15.208 5.004 6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 83 15.523 8.504 5.208 1.00 0.00 H new ATOM 0 HD22 ASN A 83 16.421 6.983 5.173 1.00 0.00 H new ATOM 1271 N ARG A 84 15.628 5.869 9.913 1.00 0.00 N ATOM 1272 CA ARG A 84 15.950 6.548 11.163 1.00 0.00 C ATOM 1273 C ARG A 84 15.427 7.981 11.153 1.00 0.00 C ATOM 1274 O ARG A 84 15.153 8.559 12.204 1.00 0.00 O ATOM 1275 CB ARG A 84 17.462 6.546 11.394 1.00 0.00 C ATOM 1276 CG ARG A 84 17.979 5.268 12.034 1.00 0.00 C ATOM 1277 CD ARG A 84 17.965 5.361 13.552 1.00 0.00 C ATOM 1278 NE ARG A 84 16.677 4.963 14.113 1.00 0.00 N ATOM 1279 CZ ARG A 84 16.494 4.662 15.394 1.00 0.00 C ATOM 1280 NH1 ARG A 84 17.512 4.714 16.242 1.00 0.00 N ATOM 1281 NH2 ARG A 84 15.291 4.308 15.829 1.00 0.00 N ATOM 0 H ARG A 84 16.402 5.344 9.507 1.00 0.00 H new ATOM 0 HA ARG A 84 15.465 6.009 11.977 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.967 6.694 10.439 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.725 7.392 12.029 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.366 4.426 11.714 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.994 5.072 11.690 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.750 4.726 13.961 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.192 6.383 13.855 1.00 0.00 H new ATOM 0 HE ARG A 84 15.873 4.913 13.487 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.438 4.986 15.911 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.369 4.483 17.225 1.00 0.00 H new ATOM 0 HH21 ARG A 84 14.506 4.267 15.180 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.152 4.077 16.813 1.00 0.00 H new ATOM 1295 N ALA A 85 15.293 8.548 9.959 1.00 0.00 N ATOM 1296 CA ALA A 85 14.802 9.913 9.812 1.00 0.00 C ATOM 1297 C ALA A 85 13.278 9.947 9.767 1.00 0.00 C ATOM 1298 O ALA A 85 12.655 10.909 10.214 1.00 0.00 O ATOM 1299 CB ALA A 85 15.384 10.552 8.560 1.00 0.00 C ATOM 0 H ALA A 85 15.518 8.083 9.079 1.00 0.00 H new ATOM 0 HA ALA A 85 15.126 10.484 10.682 1.00 0.00 H new ATOM 0 HB1 ALA A 85 15.009 11.571 8.463 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.471 10.571 8.633 1.00 0.00 H new ATOM 0 HB3 ALA A 85 15.090 9.972 7.685 1.00 0.00 H new ATOM 1305 N GLY A 86 12.683 8.890 9.222 1.00 0.00 N ATOM 1306 CA GLY A 86 11.237 8.819 9.127 1.00 0.00 C ATOM 1307 C GLY A 86 10.767 8.387 7.752 1.00 0.00 C ATOM 1308 O GLY A 86 11.542 7.844 6.965 1.00 0.00 O ATOM 0 H GLY A 86 13.177 8.081 8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.861 8.119 9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.812 9.795 9.363 1.00 0.00 H new ATOM 1312 N LEU A 87 9.492 8.626 7.463 1.00 0.00 N ATOM 1313 CA LEU A 87 8.918 8.256 6.173 1.00 0.00 C ATOM 1314 C LEU A 87 9.442 9.162 5.064 1.00 0.00 C ATOM 1315 O LEU A 87 9.765 10.326 5.299 1.00 0.00 O ATOM 1316 CB LEU A 87 7.392 8.333 6.232 1.00 0.00 C ATOM 1317 CG LEU A 87 6.722 7.540 7.355 1.00 0.00 C ATOM 1318 CD1 LEU A 87 5.434 8.219 7.793 1.00 0.00 C ATOM 1319 CD2 LEU A 87 6.450 6.111 6.910 1.00 0.00 C ATOM 0 H LEU A 87 8.837 9.074 8.104 1.00 0.00 H new ATOM 0 HA LEU A 87 9.216 7.231 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.105 9.380 6.332 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.994 7.983 5.280 1.00 0.00 H new ATOM 0 HG LEU A 87 7.400 7.510 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.971 7.640 8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.657 9.223 8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.749 8.281 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.973 5.562 7.722 1.00 0.00 H new ATOM 0 HD22 LEU A 87 5.791 6.119 6.042 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.390 5.626 6.647 1.00 0.00 H new ATOM 1331 N GLY A 88 9.523 8.620 3.852 1.00 0.00 N ATOM 1332 CA GLY A 88 10.006 9.394 2.724 1.00 0.00 C ATOM 1333 C GLY A 88 9.008 9.442 1.584 1.00 0.00 C ATOM 1334 O GLY A 88 7.831 9.733 1.794 1.00 0.00 O ATOM 0 H GLY A 88 9.263 7.659 3.632 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.227 10.410 3.052 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.941 8.964 2.366 1.00 0.00 H new ATOM 1338 N GLU A 89 9.479 9.157 0.374 1.00 0.00 N ATOM 1339 CA GLU A 89 8.619 9.172 -0.803 1.00 0.00 C ATOM 1340 C GLU A 89 7.582 8.056 -0.733 1.00 0.00 C ATOM 1341 O GLU A 89 7.753 7.081 -0.003 1.00 0.00 O ATOM 1342 CB GLU A 89 9.456 9.027 -2.076 1.00 0.00 C ATOM 1343 CG GLU A 89 9.922 10.353 -2.653 1.00 0.00 C ATOM 1344 CD GLU A 89 8.867 11.015 -3.518 1.00 0.00 C ATOM 1345 OE1 GLU A 89 8.128 10.288 -4.215 1.00 0.00 O ATOM 1346 OE2 GLU A 89 8.781 12.261 -3.498 1.00 0.00 O ATOM 0 H GLU A 89 10.451 8.913 0.183 1.00 0.00 H new ATOM 0 HA GLU A 89 8.097 10.128 -0.828 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.327 8.409 -1.859 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.870 8.499 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.192 11.025 -1.838 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.823 10.191 -3.245 1.00 0.00 H new ATOM 1353 N GLU A 90 6.505 8.207 -1.499 1.00 0.00 N ATOM 1354 CA GLU A 90 5.439 7.212 -1.522 1.00 0.00 C ATOM 1355 C GLU A 90 5.124 6.786 -2.953 1.00 0.00 C ATOM 1356 O GLU A 90 5.046 7.618 -3.858 1.00 0.00 O ATOM 1357 CB GLU A 90 4.179 7.766 -0.854 1.00 0.00 C ATOM 1358 CG GLU A 90 3.778 9.143 -1.359 1.00 0.00 C ATOM 1359 CD GLU A 90 2.372 9.530 -0.943 1.00 0.00 C ATOM 1360 OE1 GLU A 90 1.772 8.797 -0.128 1.00 0.00 O ATOM 1361 OE2 GLU A 90 1.872 10.564 -1.431 1.00 0.00 O ATOM 0 H GLU A 90 6.348 9.008 -2.111 1.00 0.00 H new ATOM 0 HA GLU A 90 5.781 6.338 -0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 90 3.355 7.073 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.341 7.816 0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 90 4.482 9.884 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 90 3.849 9.162 -2.446 1.00 0.00 H new ATOM 1368 N PHE A 91 4.945 5.484 -3.151 1.00 0.00 N ATOM 1369 CA PHE A 91 4.640 4.946 -4.471 1.00 0.00 C ATOM 1370 C PHE A 91 3.135 4.938 -4.721 1.00 0.00 C ATOM 1371 O PHE A 91 2.340 4.998 -3.784 1.00 0.00 O ATOM 1372 CB PHE A 91 5.199 3.528 -4.609 1.00 0.00 C ATOM 1373 CG PHE A 91 5.139 2.994 -6.011 1.00 0.00 C ATOM 1374 CD1 PHE A 91 6.171 3.237 -6.904 1.00 0.00 C ATOM 1375 CD2 PHE A 91 4.052 2.249 -6.438 1.00 0.00 C ATOM 1376 CE1 PHE A 91 6.120 2.747 -8.195 1.00 0.00 C ATOM 1377 CE2 PHE A 91 3.995 1.756 -7.727 1.00 0.00 C ATOM 1378 CZ PHE A 91 5.030 2.006 -8.607 1.00 0.00 C ATOM 0 H PHE A 91 5.006 4.782 -2.414 1.00 0.00 H new ATOM 0 HA PHE A 91 5.111 5.589 -5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.235 3.520 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.643 2.861 -3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.025 3.816 -6.587 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.239 2.051 -5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 91 6.931 2.943 -8.881 1.00 0.00 H new ATOM 0 HE2 PHE A 91 3.142 1.176 -8.047 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.987 1.623 -9.616 1.00 0.00 H new ATOM 1388 N GLU A 92 2.753 4.866 -5.992 1.00 0.00 N ATOM 1389 CA GLU A 92 1.343 4.852 -6.366 1.00 0.00 C ATOM 1390 C GLU A 92 1.058 3.742 -7.374 1.00 0.00 C ATOM 1391 O GLU A 92 1.769 3.594 -8.369 1.00 0.00 O ATOM 1392 CB GLU A 92 0.935 6.205 -6.951 1.00 0.00 C ATOM 1393 CG GLU A 92 -0.562 6.345 -7.173 1.00 0.00 C ATOM 1394 CD GLU A 92 -0.898 7.317 -8.287 1.00 0.00 C ATOM 1395 OE1 GLU A 92 -0.200 8.346 -8.407 1.00 0.00 O ATOM 1396 OE2 GLU A 92 -1.859 7.050 -9.039 1.00 0.00 O ATOM 0 H GLU A 92 3.399 4.816 -6.780 1.00 0.00 H new ATOM 0 HA GLU A 92 0.757 4.661 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.270 6.997 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 92 1.450 6.351 -7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.983 5.368 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.033 6.680 -6.249 1.00 0.00 H new ATOM 1403 N LYS A 93 0.014 2.965 -7.110 1.00 0.00 N ATOM 1404 CA LYS A 93 -0.368 1.869 -7.992 1.00 0.00 C ATOM 1405 C LYS A 93 -1.880 1.830 -8.190 1.00 0.00 C ATOM 1406 O LYS A 93 -2.641 1.823 -7.223 1.00 0.00 O ATOM 1407 CB LYS A 93 0.117 0.534 -7.421 1.00 0.00 C ATOM 1408 CG LYS A 93 -0.311 -0.670 -8.242 1.00 0.00 C ATOM 1409 CD LYS A 93 0.068 -0.511 -9.705 1.00 0.00 C ATOM 1410 CE LYS A 93 -0.216 -1.778 -10.496 1.00 0.00 C ATOM 1411 NZ LYS A 93 0.682 -1.909 -11.676 1.00 0.00 N ATOM 0 H LYS A 93 -0.584 3.074 -6.291 1.00 0.00 H new ATOM 0 HA LYS A 93 0.103 2.036 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.205 0.550 -7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.262 0.424 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.155 -1.570 -7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.389 -0.805 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.488 0.321 -10.137 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.126 -0.262 -9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -0.093 -2.646 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.254 -1.773 -10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.456 -2.785 -12.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.546 -1.094 -12.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.672 -1.939 -11.358 1.00 0.00 H new ATOM 1425 N GLU A 94 -2.307 1.805 -9.449 1.00 0.00 N ATOM 1426 CA GLU A 94 -3.728 1.766 -9.772 1.00 0.00 C ATOM 1427 C GLU A 94 -4.124 0.400 -10.324 1.00 0.00 C ATOM 1428 O GLU A 94 -3.614 -0.035 -11.358 1.00 0.00 O ATOM 1429 CB GLU A 94 -4.073 2.858 -10.787 1.00 0.00 C ATOM 1430 CG GLU A 94 -5.565 3.115 -10.921 1.00 0.00 C ATOM 1431 CD GLU A 94 -5.942 3.666 -12.282 1.00 0.00 C ATOM 1432 OE1 GLU A 94 -5.235 3.357 -13.264 1.00 0.00 O ATOM 1433 OE2 GLU A 94 -6.944 4.406 -12.365 1.00 0.00 O ATOM 0 H GLU A 94 -1.690 1.811 -10.261 1.00 0.00 H new ATOM 0 HA GLU A 94 -4.288 1.943 -8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -3.578 3.784 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.672 2.577 -11.761 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.107 2.186 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.880 3.817 -10.149 1.00 0.00 H new ATOM 1440 N ILE A 95 -5.035 -0.272 -9.628 1.00 0.00 N ATOM 1441 CA ILE A 95 -5.499 -1.588 -10.049 1.00 0.00 C ATOM 1442 C ILE A 95 -7.022 -1.649 -10.081 1.00 0.00 C ATOM 1443 O ILE A 95 -7.700 -0.717 -9.648 1.00 0.00 O ATOM 1444 CB ILE A 95 -4.972 -2.695 -9.118 1.00 0.00 C ATOM 1445 CG1 ILE A 95 -5.720 -2.670 -7.784 1.00 0.00 C ATOM 1446 CG2 ILE A 95 -3.475 -2.532 -8.895 1.00 0.00 C ATOM 1447 CD1 ILE A 95 -5.632 -1.340 -7.067 1.00 0.00 C ATOM 0 H ILE A 95 -5.466 0.073 -8.770 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.110 -1.754 -11.054 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.146 -3.661 -9.592 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.769 -2.910 -7.960 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.319 -3.450 -7.137 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.117 -3.322 -8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.956 -2.595 -9.851 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.279 -1.562 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.185 -1.395 -6.129 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -4.588 -1.107 -6.859 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.060 -0.559 -7.695 1.00 0.00 H new ATOM 1459 N ARG A 96 -7.554 -2.753 -10.596 1.00 0.00 N ATOM 1460 CA ARG A 96 -8.998 -2.936 -10.684 1.00 0.00 C ATOM 1461 C ARG A 96 -9.368 -4.411 -10.549 1.00 0.00 C ATOM 1462 O ARG A 96 -8.929 -5.247 -11.338 1.00 0.00 O ATOM 1463 CB ARG A 96 -9.523 -2.387 -12.011 1.00 0.00 C ATOM 1464 CG ARG A 96 -11.019 -2.582 -12.202 1.00 0.00 C ATOM 1465 CD ARG A 96 -11.417 -2.442 -13.663 1.00 0.00 C ATOM 1466 NE ARG A 96 -10.875 -3.522 -14.484 1.00 0.00 N ATOM 1467 CZ ARG A 96 -11.200 -3.709 -15.758 1.00 0.00 C ATOM 1468 NH1 ARG A 96 -12.058 -2.893 -16.354 1.00 0.00 N ATOM 1469 NH2 ARG A 96 -10.665 -4.715 -16.439 1.00 0.00 N ATOM 0 H ARG A 96 -7.007 -3.534 -10.958 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.460 -2.387 -9.864 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.293 -1.323 -12.071 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.994 -2.874 -12.830 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.308 -3.568 -11.838 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.562 -1.850 -11.604 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.504 -2.436 -13.744 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.064 -1.484 -14.045 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.211 -4.167 -14.056 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -12.471 -2.119 -15.834 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.305 -3.039 -17.333 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -10.004 -5.345 -15.984 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.915 -4.858 -17.417 1.00 0.00 H new ATOM 1483 N THR A 97 -10.178 -4.722 -9.542 1.00 0.00 N ATOM 1484 CA THR A 97 -10.606 -6.095 -9.302 1.00 0.00 C ATOM 1485 C THR A 97 -11.446 -6.620 -10.461 1.00 0.00 C ATOM 1486 O THR A 97 -12.054 -5.858 -11.213 1.00 0.00 O ATOM 1487 CB THR A 97 -11.421 -6.210 -8.000 1.00 0.00 C ATOM 1488 OG1 THR A 97 -12.317 -5.099 -7.883 1.00 0.00 O ATOM 1489 CG2 THR A 97 -10.501 -6.255 -6.789 1.00 0.00 C ATOM 0 H THR A 97 -10.551 -4.042 -8.880 1.00 0.00 H new ATOM 0 HA THR A 97 -9.701 -6.696 -9.211 1.00 0.00 H new ATOM 0 HB THR A 97 -11.994 -7.136 -8.037 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.770 -5.134 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A 97 -11.098 -6.336 -5.881 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.839 -7.118 -6.867 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.905 -5.343 -6.751 1.00 0.00 H new ATOM 1497 N PRO A 98 -11.482 -7.952 -10.611 1.00 0.00 N ATOM 1498 CA PRO A 98 -12.245 -8.608 -11.677 1.00 0.00 C ATOM 1499 C PRO A 98 -13.751 -8.493 -11.466 1.00 0.00 C ATOM 1500 O PRO A 98 -14.303 -9.076 -10.534 1.00 0.00 O ATOM 1501 CB PRO A 98 -11.803 -10.071 -11.581 1.00 0.00 C ATOM 1502 CG PRO A 98 -11.365 -10.242 -10.167 1.00 0.00 C ATOM 1503 CD PRO A 98 -10.781 -8.920 -9.751 1.00 0.00 C ATOM 0 HA PRO A 98 -12.058 -8.155 -12.650 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -12.621 -10.749 -11.827 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -10.991 -10.286 -12.276 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -12.205 -10.516 -9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.627 -11.039 -10.081 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -10.955 -8.718 -8.694 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.703 -8.890 -9.908 1.00 0.00 H new ATOM 1511 N GLU A 99 -14.410 -7.737 -12.340 1.00 0.00 N ATOM 1512 CA GLU A 99 -15.853 -7.546 -12.248 1.00 0.00 C ATOM 1513 C GLU A 99 -16.537 -8.807 -11.730 1.00 0.00 C ATOM 1514 O GLU A 99 -17.549 -8.736 -11.033 1.00 0.00 O ATOM 1515 CB GLU A 99 -16.427 -7.165 -13.614 1.00 0.00 C ATOM 1516 CG GLU A 99 -15.624 -6.094 -14.335 1.00 0.00 C ATOM 1517 CD GLU A 99 -16.369 -5.502 -15.515 1.00 0.00 C ATOM 1518 OE1 GLU A 99 -17.344 -4.755 -15.289 1.00 0.00 O ATOM 1519 OE2 GLU A 99 -15.976 -5.787 -16.667 1.00 0.00 O ATOM 0 H GLU A 99 -13.968 -7.248 -13.118 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.042 -6.736 -11.544 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -16.473 -8.056 -14.240 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -17.450 -6.814 -13.483 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.373 -5.299 -13.633 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -14.683 -6.522 -14.682 1.00 0.00 H new ATOM 1526 N ASP A 100 -15.978 -9.961 -12.078 1.00 0.00 N ATOM 1527 CA ASP A 100 -16.533 -11.240 -11.648 1.00 0.00 C ATOM 1528 C ASP A 100 -15.642 -12.396 -12.094 1.00 0.00 C ATOM 1529 O ASP A 100 -15.252 -12.479 -13.259 1.00 0.00 O ATOM 1530 CB ASP A 100 -17.944 -11.421 -12.210 1.00 0.00 C ATOM 1531 CG ASP A 100 -18.135 -10.715 -13.537 1.00 0.00 C ATOM 1532 OD1 ASP A 100 -17.349 -10.984 -14.470 1.00 0.00 O ATOM 1533 OD2 ASP A 100 -19.068 -9.893 -13.644 1.00 0.00 O ATOM 0 H ASP A 100 -15.141 -10.037 -12.656 1.00 0.00 H new ATOM 0 HA ASP A 100 -16.581 -11.241 -10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -18.148 -12.484 -12.335 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -18.670 -11.040 -11.491 1.00 0.00 H new ATOM 1538 N LEU A 101 -15.324 -13.284 -11.159 1.00 0.00 N ATOM 1539 CA LEU A 101 -14.479 -14.436 -11.454 1.00 0.00 C ATOM 1540 C LEU A 101 -15.081 -15.282 -12.572 1.00 0.00 C ATOM 1541 O LEU A 101 -14.407 -16.132 -13.153 1.00 0.00 O ATOM 1542 CB LEU A 101 -14.289 -15.289 -10.199 1.00 0.00 C ATOM 1543 CG LEU A 101 -15.315 -16.401 -9.982 1.00 0.00 C ATOM 1544 CD1 LEU A 101 -16.729 -15.856 -10.115 1.00 0.00 C ATOM 1545 CD2 LEU A 101 -15.086 -17.539 -10.965 1.00 0.00 C ATOM 0 H LEU A 101 -15.638 -13.229 -10.190 1.00 0.00 H new ATOM 0 HA LEU A 101 -13.508 -14.067 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.297 -15.740 -10.237 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.307 -14.631 -9.330 1.00 0.00 H new ATOM 0 HG LEU A 101 -15.191 -16.791 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -17.446 -16.662 -9.957 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -16.890 -15.076 -9.370 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.866 -15.439 -11.113 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -15.826 -18.321 -10.795 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.182 -17.164 -11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.086 -17.948 -10.821 1.00 0.00 H new ATOM 1557 N SER A 102 -16.354 -15.041 -12.869 1.00 0.00 N ATOM 1558 CA SER A 102 -17.048 -15.781 -13.915 1.00 0.00 C ATOM 1559 C SER A 102 -17.203 -14.930 -15.172 1.00 0.00 C ATOM 1560 O SER A 102 -18.121 -14.118 -15.276 1.00 0.00 O ATOM 1561 CB SER A 102 -18.423 -16.237 -13.422 1.00 0.00 C ATOM 1562 OG SER A 102 -19.128 -16.925 -14.440 1.00 0.00 O ATOM 0 H SER A 102 -16.925 -14.339 -12.399 1.00 0.00 H new ATOM 0 HA SER A 102 -16.450 -16.658 -14.162 1.00 0.00 H new ATOM 0 HB2 SER A 102 -18.305 -16.887 -12.555 1.00 0.00 H new ATOM 0 HB3 SER A 102 -19.001 -15.372 -13.096 1.00 0.00 H new ATOM 0 HG SER A 102 -20.002 -17.207 -14.099 1.00 0.00 H new ATOM 1568 N GLY A 103 -16.295 -15.122 -16.125 1.00 0.00 N ATOM 1569 CA GLY A 103 -16.348 -14.365 -17.362 1.00 0.00 C ATOM 1570 C GLY A 103 -16.518 -15.253 -18.578 1.00 0.00 C ATOM 1571 O GLY A 103 -17.627 -15.657 -18.928 1.00 0.00 O ATOM 0 H GLY A 103 -15.525 -15.788 -16.062 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -17.175 -13.656 -17.315 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.433 -13.782 -17.467 1.00 0.00 H new ATOM 1575 N PRO A 104 -15.398 -15.569 -19.246 1.00 0.00 N ATOM 1576 CA PRO A 104 -15.403 -16.418 -20.442 1.00 0.00 C ATOM 1577 C PRO A 104 -15.738 -17.870 -20.121 1.00 0.00 C ATOM 1578 O PRO A 104 -16.476 -18.524 -20.857 1.00 0.00 O ATOM 1579 CB PRO A 104 -13.968 -16.303 -20.964 1.00 0.00 C ATOM 1580 CG PRO A 104 -13.154 -15.962 -19.763 1.00 0.00 C ATOM 1581 CD PRO A 104 -14.042 -15.123 -18.886 1.00 0.00 C ATOM 0 HA PRO A 104 -16.160 -16.105 -21.161 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -13.635 -17.237 -21.416 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -13.886 -15.532 -21.730 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -12.830 -16.863 -19.242 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -12.254 -15.415 -20.044 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -13.833 -15.287 -17.829 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -13.905 -14.059 -19.077 1.00 0.00 H new ATOM 1589 N SER A 105 -15.190 -18.369 -19.017 1.00 0.00 N ATOM 1590 CA SER A 105 -15.429 -19.746 -18.600 1.00 0.00 C ATOM 1591 C SER A 105 -16.903 -19.967 -18.275 1.00 0.00 C ATOM 1592 O SER A 105 -17.453 -19.336 -17.372 1.00 0.00 O ATOM 1593 CB SER A 105 -14.569 -20.088 -17.382 1.00 0.00 C ATOM 1594 OG SER A 105 -14.596 -19.041 -16.427 1.00 0.00 O ATOM 0 H SER A 105 -14.578 -17.840 -18.396 1.00 0.00 H new ATOM 0 HA SER A 105 -15.155 -20.403 -19.425 1.00 0.00 H new ATOM 0 HB2 SER A 105 -14.930 -21.010 -16.926 1.00 0.00 H new ATOM 0 HB3 SER A 105 -13.542 -20.270 -17.698 1.00 0.00 H new ATOM 0 HG SER A 105 -15.515 -18.715 -16.325 1.00 0.00 H new ATOM 1600 N SER A 106 -17.537 -20.869 -19.017 1.00 0.00 N ATOM 1601 CA SER A 106 -18.949 -21.172 -18.812 1.00 0.00 C ATOM 1602 C SER A 106 -19.156 -22.666 -18.582 1.00 0.00 C ATOM 1603 O SER A 106 -18.981 -23.476 -19.491 1.00 0.00 O ATOM 1604 CB SER A 106 -19.772 -20.711 -20.016 1.00 0.00 C ATOM 1605 OG SER A 106 -20.124 -19.344 -19.900 1.00 0.00 O ATOM 0 H SER A 106 -17.096 -21.403 -19.766 1.00 0.00 H new ATOM 0 HA SER A 106 -19.285 -20.635 -17.925 1.00 0.00 H new ATOM 0 HB2 SER A 106 -19.201 -20.866 -20.931 1.00 0.00 H new ATOM 0 HB3 SER A 106 -20.675 -21.317 -20.097 1.00 0.00 H new ATOM 0 HG SER A 106 -20.648 -19.074 -20.683 1.00 0.00 H new ATOM 1611 N GLY A 107 -19.529 -23.024 -17.357 1.00 0.00 N ATOM 1612 CA GLY A 107 -19.754 -24.419 -17.027 1.00 0.00 C ATOM 1613 C GLY A 107 -20.302 -24.603 -15.626 1.00 0.00 C ATOM 1614 O GLY A 107 -21.418 -25.090 -15.448 1.00 0.00 O ATOM 0 H GLY A 107 -19.679 -22.372 -16.587 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -20.450 -24.851 -17.746 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -18.817 -24.967 -17.122 1.00 0.00 H new TER 1618 GLY A 107