USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 722 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 Single : A 1 MET CE :methyl -152:sc= -0.109 (180deg=-1.34!) USER MOD Single : A 1 MET N :NH3+ -165:sc= 0 (180deg=-0.108) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.221 K(o=0.22,f=-0.8) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -36:sc= 0.287 USER MOD Single : A 23 THR OG1 : rot -98:sc= 0.857 USER MOD Single : A 24 GLN : amide:sc= -0.603 K(o=-0.6,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -160:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -142:sc= 0.44 (180deg=0.0527) USER MOD Single : A 38 ASN : amide:sc= -0.801 K(o=-0.8,f=-4.2!) USER MOD Single : A 43 SER OG : rot -160:sc= -0.249 USER MOD Single : A 54 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.049) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -168:sc= -0.022 (180deg=-0.117) USER MOD Single : A 60 GLN : amide:sc= -0.261 K(o=-0.26,f=-1.2) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.881 X(o=-0.88,f=-1.1) USER MOD Single : A 81 HIS : no HD1:sc=-0.00213 X(o=-0.0021,f=-0.085) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.647 19.082 4.662 1.00 0.00 N ATOM 2 CA MET A 1 5.121 20.127 3.741 1.00 0.00 C ATOM 3 C MET A 1 5.362 19.517 2.366 1.00 0.00 C ATOM 4 O MET A 1 6.226 18.652 2.227 1.00 0.00 O ATOM 5 CB MET A 1 6.407 20.811 4.250 1.00 0.00 C ATOM 6 CG MET A 1 6.198 22.213 4.849 1.00 0.00 C ATOM 7 SD MET A 1 6.472 22.379 6.634 1.00 0.00 S ATOM 8 CE MET A 1 5.119 21.365 7.278 1.00 0.00 C ATOM 0 H1 MET A 1 4.244 19.525 5.512 1.00 0.00 H new ATOM 0 H2 MET A 1 3.918 18.509 4.191 1.00 0.00 H new ATOM 0 H3 MET A 1 5.444 18.472 4.935 1.00 0.00 H new ATOM 0 HA MET A 1 4.350 20.895 3.680 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.866 20.173 5.005 1.00 0.00 H new ATOM 0 HB3 MET A 1 7.114 20.886 3.423 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.864 22.906 4.336 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.178 22.529 4.629 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.828 21.730 8.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.266 21.425 6.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.447 20.329 7.357 1.00 0.00 H new ATOM 20 N SER A 2 4.594 19.963 1.363 1.00 0.00 N ATOM 21 CA SER A 2 4.697 19.547 -0.028 1.00 0.00 C ATOM 22 C SER A 2 4.002 18.198 -0.207 1.00 0.00 C ATOM 23 O SER A 2 2.968 18.131 -0.868 1.00 0.00 O ATOM 24 CB SER A 2 6.157 19.565 -0.522 1.00 0.00 C ATOM 25 OG SER A 2 6.203 19.802 -1.912 1.00 0.00 O ATOM 0 H SER A 2 3.856 20.651 1.513 1.00 0.00 H new ATOM 0 HA SER A 2 4.180 20.265 -0.664 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.716 20.339 0.004 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.637 18.614 -0.293 1.00 0.00 H new ATOM 0 HG SER A 2 7.136 19.812 -2.211 1.00 0.00 H new ATOM 31 N LYS A 3 4.548 17.149 0.428 1.00 0.00 N ATOM 32 CA LYS A 3 4.013 15.792 0.455 1.00 0.00 C ATOM 33 C LYS A 3 4.091 15.123 -0.928 1.00 0.00 C ATOM 34 O LYS A 3 3.924 15.785 -1.949 1.00 0.00 O ATOM 35 CB LYS A 3 2.567 15.793 0.991 1.00 0.00 C ATOM 36 CG LYS A 3 2.350 14.740 2.085 1.00 0.00 C ATOM 37 CD LYS A 3 2.552 15.316 3.499 1.00 0.00 C ATOM 38 CE LYS A 3 1.200 15.475 4.211 1.00 0.00 C ATOM 39 NZ LYS A 3 1.307 16.289 5.434 1.00 0.00 N ATOM 0 H LYS A 3 5.415 17.235 0.959 1.00 0.00 H new ATOM 0 HA LYS A 3 4.631 15.203 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.330 16.780 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.877 15.606 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.342 14.334 2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.041 13.911 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.200 14.657 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.053 16.282 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.485 15.937 3.530 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.807 14.490 4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.371 16.369 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.969 15.836 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.657 17.238 5.190 1.00 0.00 H new ATOM 53 N VAL A 4 4.354 13.809 -0.965 1.00 0.00 N ATOM 54 CA VAL A 4 4.545 13.086 -2.215 1.00 0.00 C ATOM 55 C VAL A 4 3.854 11.734 -2.109 1.00 0.00 C ATOM 56 O VAL A 4 4.459 10.748 -1.696 1.00 0.00 O ATOM 57 CB VAL A 4 6.044 13.003 -2.587 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.996 12.570 -1.467 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.257 12.116 -3.826 1.00 0.00 C ATOM 0 H VAL A 4 4.438 13.227 -0.131 1.00 0.00 H new ATOM 0 HA VAL A 4 4.082 13.623 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 4 6.313 14.037 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.018 12.549 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.930 13.277 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.718 11.576 -1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.320 12.075 -4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.892 11.110 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.710 12.534 -4.671 1.00 0.00 H new ATOM 69 N CYS A 5 2.569 11.701 -2.465 1.00 0.00 N ATOM 70 CA CYS A 5 1.809 10.461 -2.458 1.00 0.00 C ATOM 71 C CYS A 5 2.077 9.664 -3.736 1.00 0.00 C ATOM 72 O CYS A 5 2.420 10.242 -4.765 1.00 0.00 O ATOM 73 CB CYS A 5 0.308 10.713 -2.242 1.00 0.00 C ATOM 74 SG CYS A 5 -0.185 12.001 -1.057 1.00 0.00 S ATOM 0 H CYS A 5 2.038 12.520 -2.761 1.00 0.00 H new ATOM 0 HA CYS A 5 2.146 9.862 -1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.130 10.964 -3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.144 9.775 -1.921 1.00 0.00 H new ATOM 79 N ILE A 6 1.938 8.333 -3.660 1.00 0.00 N ATOM 80 CA ILE A 6 2.237 7.445 -4.781 1.00 0.00 C ATOM 81 C ILE A 6 1.265 6.265 -4.762 1.00 0.00 C ATOM 82 O ILE A 6 0.850 5.833 -3.687 1.00 0.00 O ATOM 83 CB ILE A 6 3.705 6.969 -4.780 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.218 6.457 -3.426 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.661 8.029 -5.362 1.00 0.00 C ATOM 86 CD1 ILE A 6 4.702 7.564 -2.484 1.00 0.00 C ATOM 0 H ILE A 6 1.617 7.848 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 6 2.106 8.005 -5.707 1.00 0.00 H new ATOM 0 HB ILE A 6 3.701 6.101 -5.439 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.421 5.899 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.036 5.758 -3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.682 7.649 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.377 8.249 -6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.600 8.940 -4.766 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.048 7.121 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.522 8.108 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.881 8.251 -2.278 1.00 0.00 H new ATOM 98 N ILE A 7 0.904 5.762 -5.948 1.00 0.00 N ATOM 99 CA ILE A 7 -0.007 4.631 -6.120 1.00 0.00 C ATOM 100 C ILE A 7 0.768 3.410 -6.612 1.00 0.00 C ATOM 101 O ILE A 7 1.419 3.475 -7.651 1.00 0.00 O ATOM 102 CB ILE A 7 -1.191 4.998 -7.036 1.00 0.00 C ATOM 103 CG1 ILE A 7 -2.169 3.812 -7.143 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.777 5.464 -8.441 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.627 4.278 -7.166 1.00 0.00 C ATOM 0 H ILE A 7 1.246 6.140 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.444 4.375 -5.155 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.679 5.851 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.954 3.244 -8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.016 3.138 -6.300 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.668 5.703 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.148 6.351 -8.360 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.221 4.669 -8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.285 3.412 -7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.849 4.823 -6.249 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.787 4.931 -8.024 1.00 0.00 H new ATOM 117 N ALA A 8 0.701 2.308 -5.856 1.00 0.00 N ATOM 118 CA ALA A 8 1.386 1.059 -6.142 1.00 0.00 C ATOM 119 C ALA A 8 0.386 -0.059 -6.443 1.00 0.00 C ATOM 120 O ALA A 8 -0.386 -0.438 -5.567 1.00 0.00 O ATOM 121 CB ALA A 8 2.299 0.683 -4.971 1.00 0.00 C ATOM 0 H ALA A 8 0.147 2.268 -5.000 1.00 0.00 H new ATOM 0 HA ALA A 8 2.001 1.195 -7.031 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.809 -0.254 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.037 1.470 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.701 0.565 -4.067 1.00 0.00 H new ATOM 127 N TRP A 9 0.413 -0.598 -7.668 1.00 0.00 N ATOM 128 CA TRP A 9 -0.452 -1.698 -8.091 1.00 0.00 C ATOM 129 C TRP A 9 0.284 -3.026 -7.958 1.00 0.00 C ATOM 130 O TRP A 9 1.330 -3.202 -8.580 1.00 0.00 O ATOM 131 CB TRP A 9 -0.888 -1.497 -9.543 1.00 0.00 C ATOM 132 CG TRP A 9 -1.777 -0.320 -9.771 1.00 0.00 C ATOM 133 CD1 TRP A 9 -3.094 -0.270 -9.488 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.448 0.972 -10.348 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.602 0.972 -9.813 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.627 1.776 -10.366 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.276 1.537 -10.884 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.634 3.084 -10.872 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.294 2.816 -11.460 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.454 3.607 -11.423 1.00 0.00 C ATOM 0 H TRP A 9 1.046 -0.276 -8.400 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.334 -1.712 -7.451 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.002 -1.388 -10.163 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.404 -2.396 -9.881 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.668 -1.083 -9.068 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.570 1.257 -9.664 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.648 0.979 -10.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.534 3.680 -10.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.596 3.198 -11.938 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.438 4.613 -11.817 1.00 0.00 H new ATOM 151 N VAL A 10 -0.275 -3.957 -7.172 1.00 0.00 N ATOM 152 CA VAL A 10 0.302 -5.271 -6.913 1.00 0.00 C ATOM 153 C VAL A 10 -0.475 -6.322 -7.720 1.00 0.00 C ATOM 154 O VAL A 10 -1.657 -6.536 -7.459 1.00 0.00 O ATOM 155 CB VAL A 10 0.256 -5.584 -5.403 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.166 -6.779 -5.094 1.00 0.00 C ATOM 157 CG2 VAL A 10 0.714 -4.422 -4.510 1.00 0.00 C ATOM 0 H VAL A 10 -1.162 -3.808 -6.690 1.00 0.00 H new ATOM 0 HA VAL A 10 1.347 -5.287 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.791 -5.789 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.131 -6.997 -4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.825 -7.650 -5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.190 -6.541 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.652 -4.721 -3.464 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.744 -4.161 -4.753 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.071 -3.558 -4.679 1.00 0.00 H new ATOM 167 N TYR A 11 0.186 -6.979 -8.685 1.00 0.00 N ATOM 168 CA TYR A 11 -0.387 -8.039 -9.516 1.00 0.00 C ATOM 169 C TYR A 11 -0.240 -9.408 -8.855 1.00 0.00 C ATOM 170 O TYR A 11 0.331 -9.533 -7.773 1.00 0.00 O ATOM 171 CB TYR A 11 0.248 -8.041 -10.914 1.00 0.00 C ATOM 172 CG TYR A 11 -0.044 -6.805 -11.739 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.819 -5.695 -11.695 1.00 0.00 C ATOM 174 CD2 TYR A 11 -1.152 -6.795 -12.607 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.591 -4.592 -12.534 1.00 0.00 C ATOM 176 CE2 TYR A 11 -1.379 -5.693 -13.448 1.00 0.00 C ATOM 177 CZ TYR A 11 -0.503 -4.593 -13.415 1.00 0.00 C ATOM 178 OH TYR A 11 -0.711 -3.527 -14.240 1.00 0.00 O ATOM 0 H TYR A 11 1.160 -6.779 -8.912 1.00 0.00 H new ATOM 0 HA TYR A 11 -1.452 -7.834 -9.622 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.328 -8.145 -10.808 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.105 -8.917 -11.458 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.658 -5.691 -11.015 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.829 -7.636 -12.626 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.257 -3.743 -12.502 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.225 -5.690 -14.119 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.509 -3.687 -14.786 1.00 0.00 H new ATOM 188 N GLY A 12 -0.763 -10.440 -9.529 1.00 0.00 N ATOM 189 CA GLY A 12 -0.707 -11.804 -9.048 1.00 0.00 C ATOM 190 C GLY A 12 -1.721 -12.033 -7.939 1.00 0.00 C ATOM 191 O GLY A 12 -2.694 -11.294 -7.812 1.00 0.00 O ATOM 0 H GLY A 12 -1.237 -10.340 -10.427 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.901 -12.492 -9.871 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.295 -12.023 -8.680 1.00 0.00 H new ATOM 195 N ARG A 13 -1.492 -13.079 -7.146 1.00 0.00 N ATOM 196 CA ARG A 13 -2.424 -13.506 -6.115 1.00 0.00 C ATOM 197 C ARG A 13 -2.116 -12.762 -4.827 1.00 0.00 C ATOM 198 O ARG A 13 -1.177 -13.143 -4.144 1.00 0.00 O ATOM 199 CB ARG A 13 -2.316 -15.012 -5.862 1.00 0.00 C ATOM 200 CG ARG A 13 -2.419 -15.820 -7.161 1.00 0.00 C ATOM 201 CD ARG A 13 -3.517 -16.877 -7.127 1.00 0.00 C ATOM 202 NE ARG A 13 -3.780 -17.311 -8.501 1.00 0.00 N ATOM 203 CZ ARG A 13 -4.682 -18.225 -8.879 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.378 -18.918 -7.967 1.00 0.00 N ATOM 205 NH2 ARG A 13 -4.883 -18.432 -10.186 1.00 0.00 N ATOM 0 H ARG A 13 -0.651 -13.653 -7.204 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.437 -13.284 -6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.367 -15.231 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.106 -15.323 -5.178 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.606 -15.139 -7.991 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.463 -16.305 -7.356 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.210 -17.724 -6.513 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.423 -16.470 -6.678 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.224 -16.877 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.223 -18.751 -6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.063 -19.612 -8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.353 -17.898 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.566 -19.124 -10.494 1.00 0.00 H new ATOM 219 N VAL A 14 -2.871 -11.703 -4.524 1.00 0.00 N ATOM 220 CA VAL A 14 -2.646 -10.862 -3.347 1.00 0.00 C ATOM 221 C VAL A 14 -3.963 -10.668 -2.590 1.00 0.00 C ATOM 222 O VAL A 14 -3.996 -10.750 -1.363 1.00 0.00 O ATOM 223 CB VAL A 14 -2.047 -9.514 -3.779 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.611 -8.671 -2.568 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.806 -9.718 -4.651 1.00 0.00 C ATOM 0 H VAL A 14 -3.662 -11.403 -5.094 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.938 -11.349 -2.677 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.831 -8.999 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.193 -7.726 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.474 -8.475 -1.932 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.857 -9.215 -1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.403 -8.748 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.053 -10.270 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.077 -10.281 -5.544 1.00 0.00 H new ATOM 235 N GLN A 15 -5.049 -10.406 -3.332 1.00 0.00 N ATOM 236 CA GLN A 15 -6.384 -10.243 -2.776 1.00 0.00 C ATOM 237 C GLN A 15 -6.910 -11.589 -2.278 1.00 0.00 C ATOM 238 O GLN A 15 -6.638 -12.627 -2.880 1.00 0.00 O ATOM 239 CB GLN A 15 -7.327 -9.594 -3.797 1.00 0.00 C ATOM 240 CG GLN A 15 -7.682 -10.448 -5.016 1.00 0.00 C ATOM 241 CD GLN A 15 -8.760 -9.754 -5.847 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.812 -10.333 -6.102 1.00 0.00 O ATOM 243 NE2 GLN A 15 -8.518 -8.507 -6.256 1.00 0.00 N ATOM 0 H GLN A 15 -5.016 -10.302 -4.346 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.335 -9.569 -1.921 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.251 -9.321 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.871 -8.668 -4.147 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.793 -10.614 -5.625 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.035 -11.428 -4.693 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -7.632 -8.057 -6.025 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -9.219 -8.003 -6.799 1.00 0.00 H new ATOM 252 N GLY A 16 -7.656 -11.566 -1.169 1.00 0.00 N ATOM 253 CA GLY A 16 -8.262 -12.754 -0.591 1.00 0.00 C ATOM 254 C GLY A 16 -7.261 -13.646 0.149 1.00 0.00 C ATOM 255 O GLY A 16 -7.560 -14.814 0.389 1.00 0.00 O ATOM 0 H GLY A 16 -7.854 -10.712 -0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.049 -12.452 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.738 -13.333 -1.383 1.00 0.00 H new ATOM 259 N VAL A 17 -6.092 -13.105 0.520 1.00 0.00 N ATOM 260 CA VAL A 17 -5.054 -13.808 1.270 1.00 0.00 C ATOM 261 C VAL A 17 -5.012 -13.278 2.705 1.00 0.00 C ATOM 262 O VAL A 17 -4.905 -14.059 3.647 1.00 0.00 O ATOM 263 CB VAL A 17 -3.700 -13.655 0.557 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.556 -14.269 1.376 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.743 -14.339 -0.817 1.00 0.00 C ATOM 0 H VAL A 17 -5.841 -12.142 0.299 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.281 -14.873 1.315 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.516 -12.587 0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.616 -14.141 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.493 -13.771 2.343 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.746 -15.332 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.778 -14.223 -1.311 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.960 -15.399 -0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.521 -13.880 -1.428 1.00 0.00 H new ATOM 275 N GLY A 18 -5.089 -11.950 2.857 1.00 0.00 N ATOM 276 CA GLY A 18 -5.022 -11.249 4.124 1.00 0.00 C ATOM 277 C GLY A 18 -3.797 -10.343 4.196 1.00 0.00 C ATOM 278 O GLY A 18 -3.303 -10.082 5.291 1.00 0.00 O ATOM 0 H GLY A 18 -5.204 -11.319 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.925 -10.654 4.260 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -4.990 -11.971 4.940 1.00 0.00 H new ATOM 282 N PHE A 19 -3.324 -9.847 3.040 1.00 0.00 N ATOM 283 CA PHE A 19 -2.208 -8.914 2.959 1.00 0.00 C ATOM 284 C PHE A 19 -2.411 -7.729 3.897 1.00 0.00 C ATOM 285 O PHE A 19 -1.445 -7.209 4.433 1.00 0.00 O ATOM 286 CB PHE A 19 -2.019 -8.417 1.517 1.00 0.00 C ATOM 287 CG PHE A 19 -0.576 -8.454 1.055 1.00 0.00 C ATOM 288 CD1 PHE A 19 -0.051 -9.666 0.575 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.241 -7.307 1.097 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.262 -9.722 0.090 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.556 -7.368 0.598 1.00 0.00 C ATOM 292 CZ PHE A 19 2.072 -8.576 0.110 1.00 0.00 C ATOM 0 H PHE A 19 -3.716 -10.091 2.131 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.309 -9.447 3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.624 -9.028 0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.392 -7.396 1.440 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.662 -10.557 0.580 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.140 -6.385 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.652 -10.650 -0.301 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.170 -6.480 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.089 -8.625 -0.249 1.00 0.00 H new ATOM 302 N ARG A 20 -3.662 -7.310 4.111 1.00 0.00 N ATOM 303 CA ARG A 20 -4.008 -6.225 5.010 1.00 0.00 C ATOM 304 C ARG A 20 -3.954 -6.637 6.485 1.00 0.00 C ATOM 305 O ARG A 20 -4.946 -6.515 7.203 1.00 0.00 O ATOM 306 CB ARG A 20 -5.388 -5.691 4.642 1.00 0.00 C ATOM 307 CG ARG A 20 -6.508 -6.746 4.606 1.00 0.00 C ATOM 308 CD ARG A 20 -7.836 -6.156 5.101 1.00 0.00 C ATOM 309 NE ARG A 20 -8.932 -7.119 4.955 1.00 0.00 N ATOM 310 CZ ARG A 20 -10.239 -6.841 5.114 1.00 0.00 C ATOM 311 NH1 ARG A 20 -10.652 -5.619 5.484 1.00 0.00 N ATOM 312 NH2 ARG A 20 -11.139 -7.809 4.898 1.00 0.00 N ATOM 0 H ARG A 20 -4.471 -7.728 3.652 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.263 -5.438 4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.663 -4.916 5.357 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.327 -5.215 3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.628 -7.119 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.230 -7.598 5.227 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.740 -5.866 6.147 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.067 -5.251 4.539 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.683 -8.078 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.970 -4.879 5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.648 -5.430 5.599 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.830 -8.740 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.134 -7.616 5.014 1.00 0.00 H new ATOM 326 N TYR A 21 -2.787 -7.093 6.943 1.00 0.00 N ATOM 327 CA TYR A 21 -2.593 -7.523 8.317 1.00 0.00 C ATOM 328 C TYR A 21 -2.022 -6.366 9.136 1.00 0.00 C ATOM 329 O TYR A 21 -2.724 -5.799 9.971 1.00 0.00 O ATOM 330 CB TYR A 21 -1.709 -8.773 8.346 1.00 0.00 C ATOM 331 CG TYR A 21 -1.872 -9.587 9.612 1.00 0.00 C ATOM 332 CD1 TYR A 21 -1.179 -9.232 10.784 1.00 0.00 C ATOM 333 CD2 TYR A 21 -2.769 -10.672 9.630 1.00 0.00 C ATOM 334 CE1 TYR A 21 -1.348 -9.989 11.956 1.00 0.00 C ATOM 335 CE2 TYR A 21 -2.932 -11.432 10.799 1.00 0.00 C ATOM 336 CZ TYR A 21 -2.214 -11.097 11.961 1.00 0.00 C ATOM 337 OH TYR A 21 -2.357 -11.844 13.092 1.00 0.00 O ATOM 0 H TYR A 21 -1.951 -7.172 6.365 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.544 -7.799 8.772 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.947 -9.399 7.486 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.665 -8.475 8.245 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.518 -8.378 10.783 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.333 -10.920 8.743 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.812 -9.719 12.854 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.609 -12.274 10.806 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.993 -12.571 12.926 1.00 0.00 H new ATOM 347 N THR A 22 -0.757 -6.013 8.878 1.00 0.00 N ATOM 348 CA THR A 22 -0.069 -4.930 9.567 1.00 0.00 C ATOM 349 C THR A 22 -0.201 -3.604 8.810 1.00 0.00 C ATOM 350 O THR A 22 0.274 -2.592 9.315 1.00 0.00 O ATOM 351 CB THR A 22 1.393 -5.317 9.860 1.00 0.00 C ATOM 352 OG1 THR A 22 1.957 -4.428 10.800 1.00 0.00 O ATOM 353 CG2 THR A 22 2.264 -5.339 8.607 1.00 0.00 C ATOM 0 H THR A 22 -0.182 -6.480 8.177 1.00 0.00 H new ATOM 0 HA THR A 22 -0.553 -4.769 10.530 1.00 0.00 H new ATOM 0 HB THR A 22 1.368 -6.329 10.263 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.610 -3.525 10.645 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.283 -5.618 8.877 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.864 -6.065 7.899 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.268 -4.350 8.149 1.00 0.00 H new ATOM 361 N THR A 23 -0.851 -3.585 7.632 1.00 0.00 N ATOM 362 CA THR A 23 -1.044 -2.376 6.828 1.00 0.00 C ATOM 363 C THR A 23 -1.501 -1.178 7.673 1.00 0.00 C ATOM 364 O THR A 23 -1.065 -0.055 7.432 1.00 0.00 O ATOM 365 CB THR A 23 -2.004 -2.651 5.655 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.962 -1.568 4.750 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.457 -2.894 6.072 1.00 0.00 C ATOM 0 H THR A 23 -1.259 -4.420 7.212 1.00 0.00 H new ATOM 0 HA THR A 23 -0.074 -2.101 6.413 1.00 0.00 H new ATOM 0 HB THR A 23 -1.656 -3.575 5.194 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.720 -0.970 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.064 -3.079 5.186 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.506 -3.760 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.837 -2.016 6.595 1.00 0.00 H new ATOM 375 N GLN A 24 -2.348 -1.429 8.681 1.00 0.00 N ATOM 376 CA GLN A 24 -2.808 -0.429 9.633 1.00 0.00 C ATOM 377 C GLN A 24 -1.681 -0.086 10.610 1.00 0.00 C ATOM 378 O GLN A 24 -1.283 1.072 10.686 1.00 0.00 O ATOM 379 CB GLN A 24 -4.044 -0.942 10.385 1.00 0.00 C ATOM 380 CG GLN A 24 -5.230 -1.202 9.441 1.00 0.00 C ATOM 381 CD GLN A 24 -6.383 -0.218 9.572 1.00 0.00 C ATOM 382 OE1 GLN A 24 -6.623 0.365 10.627 1.00 0.00 O ATOM 383 NE2 GLN A 24 -7.139 -0.070 8.487 1.00 0.00 N ATOM 0 H GLN A 24 -2.736 -2.356 8.854 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.089 0.476 9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.791 -1.863 10.911 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.336 -0.213 11.141 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.868 -1.180 8.413 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.608 -2.208 9.625 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.906 -0.572 7.630 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.952 0.546 8.512 1.00 0.00 H new ATOM 392 N TYR A 25 -1.192 -1.083 11.365 1.00 0.00 N ATOM 393 CA TYR A 25 -0.189 -0.906 12.412 1.00 0.00 C ATOM 394 C TYR A 25 1.009 -0.112 11.894 1.00 0.00 C ATOM 395 O TYR A 25 1.305 0.959 12.420 1.00 0.00 O ATOM 396 CB TYR A 25 0.254 -2.269 12.977 1.00 0.00 C ATOM 397 CG TYR A 25 0.375 -2.307 14.490 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.548 -1.859 15.129 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.691 -2.809 15.261 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.659 -1.934 16.530 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.579 -2.884 16.659 1.00 0.00 C ATOM 402 CZ TYR A 25 0.597 -2.450 17.295 1.00 0.00 C ATOM 403 OH TYR A 25 0.701 -2.534 18.654 1.00 0.00 O ATOM 0 H TYR A 25 -1.493 -2.052 11.258 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.642 -0.334 13.222 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.460 -3.030 12.662 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.217 -2.535 12.540 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.362 -1.458 14.544 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.598 -3.138 14.776 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.561 -1.595 17.018 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.397 -3.275 17.246 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.124 -2.913 19.022 1.00 0.00 H new ATOM 413 N GLU A 26 1.666 -0.636 10.850 1.00 0.00 N ATOM 414 CA GLU A 26 2.823 -0.044 10.193 1.00 0.00 C ATOM 415 C GLU A 26 2.533 1.412 9.833 1.00 0.00 C ATOM 416 O GLU A 26 3.289 2.309 10.200 1.00 0.00 O ATOM 417 CB GLU A 26 3.174 -0.863 8.935 1.00 0.00 C ATOM 418 CG GLU A 26 4.604 -1.419 8.946 1.00 0.00 C ATOM 419 CD GLU A 26 4.752 -2.639 9.857 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.441 -2.498 11.067 1.00 0.00 O ATOM 421 OE2 GLU A 26 5.168 -3.689 9.339 1.00 0.00 O ATOM 0 H GLU A 26 1.388 -1.522 10.428 1.00 0.00 H new ATOM 0 HA GLU A 26 3.677 -0.061 10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.471 -1.691 8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.044 -0.235 8.054 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.892 -1.691 7.931 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.291 -0.639 9.274 1.00 0.00 H new ATOM 428 N ALA A 27 1.423 1.642 9.122 1.00 0.00 N ATOM 429 CA ALA A 27 1.019 2.978 8.708 1.00 0.00 C ATOM 430 C ALA A 27 0.878 3.923 9.903 1.00 0.00 C ATOM 431 O ALA A 27 1.248 5.093 9.814 1.00 0.00 O ATOM 432 CB ALA A 27 -0.295 2.900 7.926 1.00 0.00 C ATOM 0 H ALA A 27 0.785 0.905 8.821 1.00 0.00 H new ATOM 0 HA ALA A 27 1.799 3.385 8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.595 3.902 7.618 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.157 2.275 7.044 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.070 2.468 8.559 1.00 0.00 H new ATOM 438 N LYS A 28 0.365 3.401 11.024 1.00 0.00 N ATOM 439 CA LYS A 28 0.208 4.133 12.270 1.00 0.00 C ATOM 440 C LYS A 28 1.558 4.604 12.825 1.00 0.00 C ATOM 441 O LYS A 28 1.617 5.653 13.463 1.00 0.00 O ATOM 442 CB LYS A 28 -0.542 3.271 13.302 1.00 0.00 C ATOM 443 CG LYS A 28 -1.548 4.118 14.086 1.00 0.00 C ATOM 444 CD LYS A 28 -2.224 3.294 15.189 1.00 0.00 C ATOM 445 CE LYS A 28 -2.931 4.218 16.189 1.00 0.00 C ATOM 446 NZ LYS A 28 -1.992 4.736 17.201 1.00 0.00 N ATOM 0 H LYS A 28 0.043 2.435 11.083 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.383 5.025 12.064 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.061 2.457 12.795 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.171 2.815 13.989 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.040 4.975 14.528 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.304 4.511 13.407 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.945 2.606 14.748 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.480 2.688 15.707 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.389 5.051 15.656 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.736 3.674 16.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.501 5.357 17.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.574 3.941 17.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.238 5.276 16.731 1.00 0.00 H new ATOM 460 N ARG A 29 2.637 3.841 12.587 1.00 0.00 N ATOM 461 CA ARG A 29 3.979 4.196 13.027 1.00 0.00 C ATOM 462 C ARG A 29 4.478 5.445 12.304 1.00 0.00 C ATOM 463 O ARG A 29 4.924 6.390 12.950 1.00 0.00 O ATOM 464 CB ARG A 29 4.966 3.040 12.804 1.00 0.00 C ATOM 465 CG ARG A 29 4.526 1.707 13.417 1.00 0.00 C ATOM 466 CD ARG A 29 4.276 1.822 14.926 1.00 0.00 C ATOM 467 NE ARG A 29 4.853 0.691 15.663 1.00 0.00 N ATOM 468 CZ ARG A 29 6.173 0.469 15.798 1.00 0.00 C ATOM 469 NH1 ARG A 29 7.068 1.312 15.261 1.00 0.00 N ATOM 470 NH2 ARG A 29 6.601 -0.608 16.468 1.00 0.00 N ATOM 0 H ARG A 29 2.593 2.957 12.080 1.00 0.00 H new ATOM 0 HA ARG A 29 3.924 4.403 14.096 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.111 2.903 11.732 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.933 3.318 13.223 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.616 1.364 12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.292 0.953 13.233 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.705 2.753 15.295 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.203 1.869 15.114 1.00 0.00 H new ATOM 0 HE ARG A 29 4.211 0.030 16.101 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.750 2.132 14.744 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.066 1.133 15.370 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.927 -1.257 16.874 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.601 -0.780 16.572 1.00 0.00 H new ATOM 484 N LEU A 30 4.417 5.444 10.968 1.00 0.00 N ATOM 485 CA LEU A 30 4.902 6.565 10.174 1.00 0.00 C ATOM 486 C LEU A 30 3.964 7.765 10.299 1.00 0.00 C ATOM 487 O LEU A 30 4.412 8.907 10.206 1.00 0.00 O ATOM 488 CB LEU A 30 5.027 6.155 8.707 1.00 0.00 C ATOM 489 CG LEU A 30 5.858 4.884 8.488 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.663 4.485 7.028 1.00 0.00 C ATOM 491 CD2 LEU A 30 7.339 5.091 8.822 1.00 0.00 C ATOM 0 H LEU A 30 4.035 4.675 10.418 1.00 0.00 H new ATOM 0 HA LEU A 30 5.883 6.852 10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.029 6.001 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.479 6.974 8.148 1.00 0.00 H new ATOM 0 HG LEU A 30 5.523 4.093 9.159 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.236 3.582 6.818 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.606 4.296 6.840 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.008 5.292 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.884 4.163 8.651 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.749 5.875 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.439 5.383 9.868 1.00 0.00 H new ATOM 503 N GLY A 31 2.666 7.502 10.492 1.00 0.00 N ATOM 504 CA GLY A 31 1.637 8.521 10.601 1.00 0.00 C ATOM 505 C GLY A 31 1.098 8.959 9.240 1.00 0.00 C ATOM 506 O GLY A 31 0.310 9.901 9.173 1.00 0.00 O ATOM 0 H GLY A 31 2.303 6.553 10.577 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.816 8.139 11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.043 9.388 11.123 1.00 0.00 H new ATOM 510 N LEU A 32 1.507 8.283 8.159 1.00 0.00 N ATOM 511 CA LEU A 32 1.022 8.553 6.814 1.00 0.00 C ATOM 512 C LEU A 32 -0.436 8.123 6.652 1.00 0.00 C ATOM 513 O LEU A 32 -1.043 7.591 7.581 1.00 0.00 O ATOM 514 CB LEU A 32 1.939 7.888 5.782 1.00 0.00 C ATOM 515 CG LEU A 32 1.587 6.449 5.362 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.717 5.936 4.490 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.406 5.481 6.527 1.00 0.00 C ATOM 0 H LEU A 32 2.191 7.527 8.202 1.00 0.00 H new ATOM 0 HA LEU A 32 1.048 9.629 6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.949 8.510 4.887 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.953 7.886 6.181 1.00 0.00 H new ATOM 0 HG LEU A 32 0.629 6.492 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.499 4.916 4.174 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.817 6.574 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.648 5.949 5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.160 4.491 6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.330 5.428 7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.598 5.832 7.169 1.00 0.00 H new ATOM 529 N THR A 33 -0.995 8.361 5.464 1.00 0.00 N ATOM 530 CA THR A 33 -2.397 8.102 5.191 1.00 0.00 C ATOM 531 C THR A 33 -2.486 7.201 3.960 1.00 0.00 C ATOM 532 O THR A 33 -1.462 6.706 3.495 1.00 0.00 O ATOM 533 CB THR A 33 -3.101 9.449 4.990 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.634 10.067 3.810 1.00 0.00 O ATOM 535 CG2 THR A 33 -2.881 10.396 6.177 1.00 0.00 C ATOM 0 H THR A 33 -0.482 8.739 4.668 1.00 0.00 H new ATOM 0 HA THR A 33 -2.891 7.587 6.015 1.00 0.00 H new ATOM 0 HB THR A 33 -4.169 9.247 4.911 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.829 11.027 3.844 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.397 11.338 5.992 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.275 9.939 7.085 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.814 10.585 6.299 1.00 0.00 H new ATOM 543 N GLY A 34 -3.687 7.020 3.401 1.00 0.00 N ATOM 544 CA GLY A 34 -3.881 6.335 2.134 1.00 0.00 C ATOM 545 C GLY A 34 -4.967 5.288 2.253 1.00 0.00 C ATOM 546 O GLY A 34 -5.880 5.418 3.063 1.00 0.00 O ATOM 0 H GLY A 34 -4.554 7.350 3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.148 7.057 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.948 5.865 1.822 1.00 0.00 H new ATOM 550 N TYR A 35 -4.849 4.246 1.433 1.00 0.00 N ATOM 551 CA TYR A 35 -5.722 3.083 1.517 1.00 0.00 C ATOM 552 C TYR A 35 -5.233 1.955 0.620 1.00 0.00 C ATOM 553 O TYR A 35 -4.394 2.185 -0.248 1.00 0.00 O ATOM 554 CB TYR A 35 -7.166 3.440 1.136 1.00 0.00 C ATOM 555 CG TYR A 35 -7.334 3.832 -0.321 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.478 2.837 -1.305 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.225 5.181 -0.706 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.494 3.189 -2.663 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.331 5.538 -2.063 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.476 4.539 -3.041 1.00 0.00 C ATOM 561 OH TYR A 35 -7.607 4.872 -4.357 1.00 0.00 O ATOM 0 H TYR A 35 -4.147 4.186 0.695 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.699 2.747 2.554 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.810 2.587 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.506 4.262 1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.576 1.801 -1.015 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.060 5.943 0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.520 2.418 -3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.301 6.578 -2.353 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.576 5.847 -4.452 1.00 0.00 H new ATOM 571 N ALA A 36 -5.801 0.755 0.809 1.00 0.00 N ATOM 572 CA ALA A 36 -5.431 -0.413 0.023 1.00 0.00 C ATOM 573 C ALA A 36 -6.667 -1.142 -0.512 1.00 0.00 C ATOM 574 O ALA A 36 -7.269 -1.936 0.203 1.00 0.00 O ATOM 575 CB ALA A 36 -4.515 -1.299 0.865 1.00 0.00 C ATOM 0 H ALA A 36 -6.523 0.576 1.507 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.878 -0.109 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.229 -2.179 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.621 -0.740 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.040 -1.611 1.768 1.00 0.00 H new ATOM 581 N LYS A 37 -7.048 -0.869 -1.766 1.00 0.00 N ATOM 582 CA LYS A 37 -8.207 -1.459 -2.438 1.00 0.00 C ATOM 583 C LYS A 37 -7.783 -2.696 -3.230 1.00 0.00 C ATOM 584 O LYS A 37 -6.597 -3.004 -3.308 1.00 0.00 O ATOM 585 CB LYS A 37 -8.885 -0.405 -3.337 1.00 0.00 C ATOM 586 CG LYS A 37 -10.027 0.278 -2.573 1.00 0.00 C ATOM 587 CD LYS A 37 -10.622 1.518 -3.246 1.00 0.00 C ATOM 588 CE LYS A 37 -11.568 2.234 -2.268 1.00 0.00 C ATOM 589 NZ LYS A 37 -10.889 3.327 -1.547 1.00 0.00 N ATOM 0 H LYS A 37 -6.541 -0.211 -2.357 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.936 -1.780 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.154 0.338 -3.656 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.272 -0.879 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.825 -0.449 -2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.662 0.562 -1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.825 2.193 -3.556 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.164 1.230 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.421 2.635 -2.816 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.961 1.514 -1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.226 3.356 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.862 3.164 -1.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.100 4.233 -2.012 1.00 0.00 H new ATOM 603 N ASN A 38 -8.767 -3.411 -3.797 1.00 0.00 N ATOM 604 CA ASN A 38 -8.557 -4.608 -4.605 1.00 0.00 C ATOM 605 C ASN A 38 -9.210 -4.423 -5.978 1.00 0.00 C ATOM 606 O ASN A 38 -10.339 -3.940 -6.062 1.00 0.00 O ATOM 607 CB ASN A 38 -9.088 -5.855 -3.883 1.00 0.00 C ATOM 608 CG ASN A 38 -8.456 -6.137 -2.524 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.676 -5.359 -1.981 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.801 -7.286 -1.952 1.00 0.00 N ATOM 0 H ASN A 38 -9.751 -3.162 -3.700 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.488 -4.759 -4.754 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.164 -5.747 -3.750 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.931 -6.721 -4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.416 -7.538 -1.042 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.451 -7.915 -2.423 1.00 0.00 H new ATOM 617 N LEU A 39 -8.489 -4.801 -7.045 1.00 0.00 N ATOM 618 CA LEU A 39 -8.951 -4.755 -8.428 1.00 0.00 C ATOM 619 C LEU A 39 -9.938 -5.892 -8.683 1.00 0.00 C ATOM 620 O LEU A 39 -10.122 -6.776 -7.849 1.00 0.00 O ATOM 621 CB LEU A 39 -7.766 -4.839 -9.422 1.00 0.00 C ATOM 622 CG LEU A 39 -7.013 -3.516 -9.663 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.859 -3.672 -10.666 1.00 0.00 C ATOM 624 CD2 LEU A 39 -7.917 -2.431 -10.257 1.00 0.00 C ATOM 0 H LEU A 39 -7.537 -5.158 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.452 -3.800 -8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.056 -5.580 -9.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.141 -5.204 -10.378 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.647 -3.235 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.361 -2.712 -10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.143 -4.402 -10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.253 -4.014 -11.623 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.340 -1.519 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.314 -2.772 -11.213 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.741 -2.230 -9.573 1.00 0.00 H new ATOM 636 N ASP A 40 -10.564 -5.860 -9.862 1.00 0.00 N ATOM 637 CA ASP A 40 -11.532 -6.862 -10.288 1.00 0.00 C ATOM 638 C ASP A 40 -10.868 -7.974 -11.110 1.00 0.00 C ATOM 639 O ASP A 40 -11.568 -8.848 -11.618 1.00 0.00 O ATOM 640 CB ASP A 40 -12.663 -6.184 -11.074 1.00 0.00 C ATOM 641 CG ASP A 40 -13.194 -4.926 -10.386 1.00 0.00 C ATOM 642 OD1 ASP A 40 -13.476 -5.008 -9.171 1.00 0.00 O ATOM 643 OD2 ASP A 40 -13.300 -3.898 -11.089 1.00 0.00 O ATOM 0 H ASP A 40 -10.408 -5.126 -10.553 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.955 -7.336 -9.402 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.302 -5.923 -12.069 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.481 -6.892 -11.208 1.00 0.00 H new ATOM 648 N ASP A 41 -9.531 -7.945 -11.238 1.00 0.00 N ATOM 649 CA ASP A 41 -8.751 -8.900 -12.021 1.00 0.00 C ATOM 650 C ASP A 41 -7.970 -9.868 -11.122 1.00 0.00 C ATOM 651 O ASP A 41 -7.494 -10.895 -11.601 1.00 0.00 O ATOM 652 CB ASP A 41 -7.820 -8.128 -12.971 1.00 0.00 C ATOM 653 CG ASP A 41 -7.512 -8.915 -14.245 1.00 0.00 C ATOM 654 OD1 ASP A 41 -6.680 -9.844 -14.164 1.00 0.00 O ATOM 655 OD2 ASP A 41 -8.110 -8.564 -15.285 1.00 0.00 O ATOM 0 H ASP A 41 -8.954 -7.236 -10.786 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.430 -9.515 -12.611 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.282 -7.177 -13.236 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.888 -7.897 -12.455 1.00 0.00 H new ATOM 660 N GLY A 42 -7.848 -9.555 -9.823 1.00 0.00 N ATOM 661 CA GLY A 42 -7.138 -10.351 -8.837 1.00 0.00 C ATOM 662 C GLY A 42 -5.993 -9.608 -8.149 1.00 0.00 C ATOM 663 O GLY A 42 -5.222 -10.221 -7.414 1.00 0.00 O ATOM 0 H GLY A 42 -8.259 -8.710 -9.427 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.845 -10.689 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.740 -11.242 -9.322 1.00 0.00 H new ATOM 667 N SER A 43 -5.867 -8.303 -8.397 1.00 0.00 N ATOM 668 CA SER A 43 -4.752 -7.471 -7.953 1.00 0.00 C ATOM 669 C SER A 43 -5.152 -6.591 -6.761 1.00 0.00 C ATOM 670 O SER A 43 -6.332 -6.517 -6.424 1.00 0.00 O ATOM 671 CB SER A 43 -4.267 -6.612 -9.132 1.00 0.00 C ATOM 672 OG SER A 43 -5.062 -6.780 -10.293 1.00 0.00 O ATOM 0 H SER A 43 -6.562 -7.781 -8.930 1.00 0.00 H new ATOM 0 HA SER A 43 -3.940 -8.115 -7.616 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.276 -5.562 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.234 -6.870 -9.364 1.00 0.00 H new ATOM 0 HG SER A 43 -4.558 -6.484 -11.080 1.00 0.00 H new ATOM 678 N VAL A 44 -4.164 -5.955 -6.111 1.00 0.00 N ATOM 679 CA VAL A 44 -4.360 -5.110 -4.930 1.00 0.00 C ATOM 680 C VAL A 44 -3.682 -3.748 -5.124 1.00 0.00 C ATOM 681 O VAL A 44 -2.468 -3.701 -5.307 1.00 0.00 O ATOM 682 CB VAL A 44 -3.827 -5.851 -3.690 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.913 -4.999 -2.416 1.00 0.00 C ATOM 684 CG2 VAL A 44 -4.681 -7.104 -3.450 1.00 0.00 C ATOM 0 H VAL A 44 -3.188 -6.017 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.422 -4.914 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.782 -6.091 -3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.525 -5.568 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.323 -4.092 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.953 -4.732 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.310 -7.635 -2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.718 -6.811 -3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.622 -7.757 -4.321 1.00 0.00 H new ATOM 694 N GLU A 45 -4.445 -2.646 -5.071 1.00 0.00 N ATOM 695 CA GLU A 45 -3.924 -1.287 -5.219 1.00 0.00 C ATOM 696 C GLU A 45 -3.662 -0.670 -3.848 1.00 0.00 C ATOM 697 O GLU A 45 -4.576 -0.639 -3.033 1.00 0.00 O ATOM 698 CB GLU A 45 -4.931 -0.381 -5.942 1.00 0.00 C ATOM 699 CG GLU A 45 -5.565 -1.014 -7.182 1.00 0.00 C ATOM 700 CD GLU A 45 -7.018 -1.371 -6.910 1.00 0.00 C ATOM 701 OE1 GLU A 45 -7.215 -2.290 -6.093 1.00 0.00 O ATOM 702 OE2 GLU A 45 -7.899 -0.713 -7.504 1.00 0.00 O ATOM 0 H GLU A 45 -5.454 -2.679 -4.922 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.003 -1.359 -5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.721 -0.105 -5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.429 0.541 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.505 -0.322 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.011 -1.909 -7.465 1.00 0.00 H new ATOM 709 N VAL A 46 -2.453 -0.153 -3.606 1.00 0.00 N ATOM 710 CA VAL A 46 -2.056 0.462 -2.340 1.00 0.00 C ATOM 711 C VAL A 46 -1.622 1.909 -2.588 1.00 0.00 C ATOM 712 O VAL A 46 -0.895 2.160 -3.541 1.00 0.00 O ATOM 713 CB VAL A 46 -0.907 -0.359 -1.733 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.427 0.213 -0.394 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.345 -1.811 -1.492 1.00 0.00 C ATOM 0 H VAL A 46 -1.708 -0.152 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.893 0.472 -1.642 1.00 0.00 H new ATOM 0 HB VAL A 46 -0.091 -0.316 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.385 -0.402 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.072 1.233 -0.540 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.253 0.215 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.517 -2.374 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.190 -1.827 -0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.639 -2.264 -2.439 1.00 0.00 H new ATOM 725 N VAL A 47 -2.048 2.856 -1.743 1.00 0.00 N ATOM 726 CA VAL A 47 -1.731 4.278 -1.880 1.00 0.00 C ATOM 727 C VAL A 47 -1.213 4.812 -0.546 1.00 0.00 C ATOM 728 O VAL A 47 -1.709 4.388 0.496 1.00 0.00 O ATOM 729 CB VAL A 47 -2.983 5.074 -2.276 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.601 6.437 -2.860 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.865 4.335 -3.291 1.00 0.00 C ATOM 0 H VAL A 47 -2.632 2.650 -0.933 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.973 4.391 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.556 5.203 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.505 6.982 -3.133 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.043 7.008 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.983 6.293 -3.746 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.734 4.947 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.293 4.144 -4.199 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.196 3.388 -2.864 1.00 0.00 H new ATOM 741 N ALA A 48 -0.234 5.729 -0.578 1.00 0.00 N ATOM 742 CA ALA A 48 0.376 6.244 0.646 1.00 0.00 C ATOM 743 C ALA A 48 0.957 7.632 0.414 1.00 0.00 C ATOM 744 O ALA A 48 1.590 7.845 -0.617 1.00 0.00 O ATOM 745 CB ALA A 48 1.502 5.300 1.056 1.00 0.00 C ATOM 0 H ALA A 48 0.147 6.125 -1.437 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.383 6.308 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.971 5.668 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.096 4.304 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.245 5.253 0.260 1.00 0.00 H new ATOM 751 N CYS A 49 0.766 8.543 1.375 1.00 0.00 N ATOM 752 CA CYS A 49 1.260 9.918 1.333 1.00 0.00 C ATOM 753 C CYS A 49 2.492 10.096 2.219 1.00 0.00 C ATOM 754 O CYS A 49 2.936 9.156 2.868 1.00 0.00 O ATOM 755 CB CYS A 49 0.110 10.841 1.736 1.00 0.00 C ATOM 756 SG CYS A 49 -1.160 11.027 0.455 1.00 0.00 S ATOM 0 H CYS A 49 0.247 8.334 2.228 1.00 0.00 H new ATOM 0 HA CYS A 49 1.588 10.173 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.355 10.453 2.642 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.513 11.824 1.980 1.00 0.00 H new ATOM 761 N GLY A 50 3.049 11.309 2.234 1.00 0.00 N ATOM 762 CA GLY A 50 4.208 11.659 3.044 1.00 0.00 C ATOM 763 C GLY A 50 5.472 11.689 2.192 1.00 0.00 C ATOM 764 O GLY A 50 5.395 11.818 0.973 1.00 0.00 O ATOM 0 H GLY A 50 2.698 12.085 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.053 12.633 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.325 10.936 3.852 1.00 0.00 H new ATOM 768 N GLU A 51 6.631 11.581 2.849 1.00 0.00 N ATOM 769 CA GLU A 51 7.945 11.525 2.221 1.00 0.00 C ATOM 770 C GLU A 51 8.190 10.117 1.681 1.00 0.00 C ATOM 771 O GLU A 51 7.972 9.154 2.408 1.00 0.00 O ATOM 772 CB GLU A 51 9.001 11.886 3.275 1.00 0.00 C ATOM 773 CG GLU A 51 9.084 13.402 3.486 1.00 0.00 C ATOM 774 CD GLU A 51 9.345 13.747 4.948 1.00 0.00 C ATOM 775 OE1 GLU A 51 8.351 13.774 5.704 1.00 0.00 O ATOM 776 OE2 GLU A 51 10.529 13.966 5.284 1.00 0.00 O ATOM 0 H GLU A 51 6.676 11.529 3.867 1.00 0.00 H new ATOM 0 HA GLU A 51 8.003 12.229 1.391 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.757 11.398 4.219 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.974 11.507 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.880 13.814 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.153 13.868 3.161 1.00 0.00 H new ATOM 783 N GLU A 52 8.656 9.996 0.430 1.00 0.00 N ATOM 784 CA GLU A 52 8.907 8.720 -0.241 1.00 0.00 C ATOM 785 C GLU A 52 9.684 7.766 0.680 1.00 0.00 C ATOM 786 O GLU A 52 9.222 6.669 0.979 1.00 0.00 O ATOM 787 CB GLU A 52 9.675 8.950 -1.560 1.00 0.00 C ATOM 788 CG GLU A 52 9.022 8.296 -2.787 1.00 0.00 C ATOM 789 CD GLU A 52 8.696 6.812 -2.612 1.00 0.00 C ATOM 790 OE1 GLU A 52 9.481 6.122 -1.928 1.00 0.00 O ATOM 791 OE2 GLU A 52 7.665 6.393 -3.181 1.00 0.00 O ATOM 0 H GLU A 52 8.873 10.804 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 52 7.948 8.258 -0.475 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.761 10.022 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.688 8.562 -1.451 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.103 8.832 -3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.688 8.411 -3.643 1.00 0.00 H new ATOM 798 N GLY A 53 10.847 8.220 1.164 1.00 0.00 N ATOM 799 CA GLY A 53 11.710 7.500 2.075 1.00 0.00 C ATOM 800 C GLY A 53 10.960 6.948 3.290 1.00 0.00 C ATOM 801 O GLY A 53 11.170 5.796 3.666 1.00 0.00 O ATOM 0 H GLY A 53 11.217 9.137 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.187 6.677 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.506 8.163 2.415 1.00 0.00 H new ATOM 805 N GLN A 54 10.078 7.764 3.885 1.00 0.00 N ATOM 806 CA GLN A 54 9.227 7.378 5.004 1.00 0.00 C ATOM 807 C GLN A 54 8.196 6.331 4.579 1.00 0.00 C ATOM 808 O GLN A 54 8.020 5.337 5.273 1.00 0.00 O ATOM 809 CB GLN A 54 8.515 8.597 5.602 1.00 0.00 C ATOM 810 CG GLN A 54 9.307 9.242 6.746 1.00 0.00 C ATOM 811 CD GLN A 54 9.270 8.408 8.028 1.00 0.00 C ATOM 812 OE1 GLN A 54 10.276 7.824 8.424 1.00 0.00 O ATOM 813 NE2 GLN A 54 8.111 8.359 8.689 1.00 0.00 N ATOM 0 H GLN A 54 9.939 8.730 3.590 1.00 0.00 H new ATOM 0 HA GLN A 54 9.872 6.941 5.766 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.349 9.336 4.818 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.534 8.296 5.969 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.343 9.378 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.902 10.233 6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.297 8.857 8.329 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.040 7.823 9.554 1.00 0.00 H new ATOM 822 N VAL A 55 7.521 6.540 3.445 1.00 0.00 N ATOM 823 CA VAL A 55 6.576 5.575 2.888 1.00 0.00 C ATOM 824 C VAL A 55 7.245 4.204 2.725 1.00 0.00 C ATOM 825 O VAL A 55 6.642 3.183 3.055 1.00 0.00 O ATOM 826 CB VAL A 55 5.978 6.091 1.563 1.00 0.00 C ATOM 827 CG1 VAL A 55 5.003 5.070 0.971 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.207 7.400 1.750 1.00 0.00 C ATOM 0 H VAL A 55 7.617 7.388 2.887 1.00 0.00 H new ATOM 0 HA VAL A 55 5.747 5.454 3.585 1.00 0.00 H new ATOM 0 HB VAL A 55 6.824 6.255 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.594 5.456 0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.528 4.135 0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.191 4.891 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.804 7.725 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.389 7.243 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.878 8.165 2.140 1.00 0.00 H new ATOM 838 N GLU A 56 8.501 4.176 2.266 1.00 0.00 N ATOM 839 CA GLU A 56 9.249 2.944 2.053 1.00 0.00 C ATOM 840 C GLU A 56 9.453 2.126 3.337 1.00 0.00 C ATOM 841 O GLU A 56 9.568 0.903 3.273 1.00 0.00 O ATOM 842 CB GLU A 56 10.572 3.238 1.329 1.00 0.00 C ATOM 843 CG GLU A 56 10.705 2.372 0.068 1.00 0.00 C ATOM 844 CD GLU A 56 11.898 2.780 -0.792 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.867 3.323 -0.219 1.00 0.00 O ATOM 846 OE2 GLU A 56 11.825 2.524 -2.013 1.00 0.00 O ATOM 0 H GLU A 56 9.027 5.018 2.032 1.00 0.00 H new ATOM 0 HA GLU A 56 8.643 2.308 1.408 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.617 4.293 1.058 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.410 3.045 1.999 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.809 1.326 0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.791 2.450 -0.522 1.00 0.00 H new ATOM 853 N LYS A 57 9.464 2.793 4.498 1.00 0.00 N ATOM 854 CA LYS A 57 9.633 2.165 5.805 1.00 0.00 C ATOM 855 C LYS A 57 8.542 1.137 6.112 1.00 0.00 C ATOM 856 O LYS A 57 8.797 0.227 6.897 1.00 0.00 O ATOM 857 CB LYS A 57 9.609 3.222 6.908 1.00 0.00 C ATOM 858 CG LYS A 57 10.605 4.372 6.732 1.00 0.00 C ATOM 859 CD LYS A 57 12.074 3.955 6.711 1.00 0.00 C ATOM 860 CE LYS A 57 12.468 3.243 8.005 1.00 0.00 C ATOM 861 NZ LYS A 57 13.926 3.068 8.084 1.00 0.00 N ATOM 0 H LYS A 57 9.353 3.806 4.551 1.00 0.00 H new ATOM 0 HA LYS A 57 10.594 1.652 5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.604 3.639 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.808 2.733 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.377 4.891 5.801 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.457 5.088 7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.255 3.297 5.861 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.702 4.835 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.120 3.819 8.862 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.978 2.271 8.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.170 2.582 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.252 2.499 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.389 3.999 8.060 1.00 0.00 H new ATOM 875 N LEU A 58 7.341 1.287 5.534 1.00 0.00 N ATOM 876 CA LEU A 58 6.281 0.290 5.635 1.00 0.00 C ATOM 877 C LEU A 58 6.268 -0.614 4.403 1.00 0.00 C ATOM 878 O LEU A 58 5.885 -1.779 4.505 1.00 0.00 O ATOM 879 CB LEU A 58 4.918 0.949 5.891 1.00 0.00 C ATOM 880 CG LEU A 58 4.149 1.391 4.634 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.120 0.333 4.223 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.396 2.692 4.877 1.00 0.00 C ATOM 0 H LEU A 58 7.083 2.107 4.984 1.00 0.00 H new ATOM 0 HA LEU A 58 6.487 -0.344 6.497 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.295 0.250 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.069 1.820 6.528 1.00 0.00 H new ATOM 0 HG LEU A 58 4.890 1.528 3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.589 0.668 3.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.630 -0.607 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.408 0.183 5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.863 2.978 3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.683 2.553 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.103 3.477 5.145 1.00 0.00 H new ATOM 894 N MET A 59 6.688 -0.086 3.240 1.00 0.00 N ATOM 895 CA MET A 59 6.716 -0.845 2.001 1.00 0.00 C ATOM 896 C MET A 59 7.668 -2.026 2.095 1.00 0.00 C ATOM 897 O MET A 59 7.471 -3.002 1.375 1.00 0.00 O ATOM 898 CB MET A 59 7.023 0.030 0.783 1.00 0.00 C ATOM 899 CG MET A 59 6.044 1.203 0.626 1.00 0.00 C ATOM 900 SD MET A 59 4.790 0.976 -0.663 1.00 0.00 S ATOM 901 CE MET A 59 3.358 1.741 0.142 1.00 0.00 C ATOM 0 H MET A 59 7.014 0.876 3.144 1.00 0.00 H new ATOM 0 HA MET A 59 5.711 -1.239 1.853 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.037 0.419 0.868 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.992 -0.585 -0.116 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.540 1.368 1.579 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.613 2.106 0.405 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.454 1.501 -0.418 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.266 1.360 1.159 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.491 2.822 0.170 1.00 0.00 H new ATOM 911 N GLN A 60 8.659 -1.965 2.995 1.00 0.00 N ATOM 912 CA GLN A 60 9.542 -3.082 3.274 1.00 0.00 C ATOM 913 C GLN A 60 8.733 -4.361 3.422 1.00 0.00 C ATOM 914 O GLN A 60 8.952 -5.314 2.647 1.00 0.00 O ATOM 915 CB GLN A 60 10.460 -2.763 4.466 1.00 0.00 C ATOM 916 CG GLN A 60 9.769 -2.362 5.777 1.00 0.00 C ATOM 917 CD GLN A 60 9.550 -3.514 6.752 1.00 0.00 C ATOM 918 OE1 GLN A 60 8.419 -3.782 7.144 1.00 0.00 O ATOM 919 NE2 GLN A 60 10.627 -4.187 7.160 1.00 0.00 N ATOM 0 H GLN A 60 8.863 -1.132 3.547 1.00 0.00 H new ATOM 0 HA GLN A 60 10.214 -3.250 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.081 -3.637 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.130 -1.955 4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.367 -1.595 6.269 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.804 -1.912 5.542 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.550 -3.932 6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.527 -4.956 7.822 1.00 0.00 H new ATOM 928 N TRP A 61 7.787 -4.407 4.335 1.00 0.00 N ATOM 929 CA TRP A 61 6.974 -5.581 4.558 1.00 0.00 C ATOM 930 C TRP A 61 6.081 -5.907 3.343 1.00 0.00 C ATOM 931 O TRP A 61 5.796 -7.074 3.102 1.00 0.00 O ATOM 932 CB TRP A 61 6.164 -5.408 5.845 1.00 0.00 C ATOM 933 CG TRP A 61 4.913 -6.202 5.882 1.00 0.00 C ATOM 934 CD1 TRP A 61 4.771 -7.513 6.177 1.00 0.00 C ATOM 935 CD2 TRP A 61 3.603 -5.720 5.520 1.00 0.00 C ATOM 936 NE1 TRP A 61 3.445 -7.874 6.033 1.00 0.00 N ATOM 937 CE2 TRP A 61 2.683 -6.797 5.624 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.112 -4.464 5.113 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.319 -6.624 5.376 1.00 0.00 C ATOM 940 CZ3 TRP A 61 1.743 -4.278 4.863 1.00 0.00 C ATOM 941 CH2 TRP A 61 0.847 -5.351 5.009 1.00 0.00 C ATOM 0 H TRP A 61 7.559 -3.624 4.948 1.00 0.00 H new ATOM 0 HA TRP A 61 7.632 -6.442 4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.786 -5.690 6.694 1.00 0.00 H new ATOM 0 HB3 TRP A 61 5.917 -4.354 5.967 1.00 0.00 H new ATOM 0 HD1 TRP A 61 5.569 -8.175 6.478 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.078 -8.810 6.206 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.795 -3.636 4.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.637 -7.456 5.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.378 -3.309 4.558 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -0.208 -5.197 4.839 1.00 0.00 H new ATOM 952 N LEU A 62 5.615 -4.895 2.582 1.00 0.00 N ATOM 953 CA LEU A 62 4.780 -5.122 1.398 1.00 0.00 C ATOM 954 C LEU A 62 5.559 -5.943 0.361 1.00 0.00 C ATOM 955 O LEU A 62 5.066 -6.972 -0.099 1.00 0.00 O ATOM 956 CB LEU A 62 4.264 -3.798 0.787 1.00 0.00 C ATOM 957 CG LEU A 62 3.035 -3.171 1.486 1.00 0.00 C ATOM 958 CD1 LEU A 62 2.952 -1.654 1.263 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.708 -3.729 0.959 1.00 0.00 C ATOM 0 H LEU A 62 5.807 -3.912 2.773 1.00 0.00 H new ATOM 0 HA LEU A 62 3.900 -5.685 1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.077 -3.072 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.013 -3.975 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 62 3.175 -3.416 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.073 -1.259 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.848 -1.178 1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.876 -1.447 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.879 -3.254 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.626 -3.525 -0.108 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.674 -4.806 1.126 1.00 0.00 H new ATOM 971 N LYS A 63 6.779 -5.514 0.006 1.00 0.00 N ATOM 972 CA LYS A 63 7.613 -6.184 -0.992 1.00 0.00 C ATOM 973 C LYS A 63 8.386 -7.388 -0.429 1.00 0.00 C ATOM 974 O LYS A 63 9.124 -8.032 -1.171 1.00 0.00 O ATOM 975 CB LYS A 63 8.546 -5.159 -1.657 1.00 0.00 C ATOM 976 CG LYS A 63 9.722 -4.740 -0.763 1.00 0.00 C ATOM 977 CD LYS A 63 9.976 -3.229 -0.828 1.00 0.00 C ATOM 978 CE LYS A 63 11.273 -2.864 -0.098 1.00 0.00 C ATOM 979 NZ LYS A 63 12.433 -2.916 -1.000 1.00 0.00 N ATOM 0 H LYS A 63 7.215 -4.685 0.409 1.00 0.00 H new ATOM 0 HA LYS A 63 6.950 -6.604 -1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.935 -5.580 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.970 -4.274 -1.926 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.517 -5.030 0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.621 -5.273 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.037 -2.910 -1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.138 -2.695 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.184 -1.863 0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.428 -3.549 0.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.294 -2.664 -0.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.531 -3.878 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.296 -2.244 -1.781 1.00 0.00 H new ATOM 993 N SER A 64 8.226 -7.691 0.868 1.00 0.00 N ATOM 994 CA SER A 64 8.876 -8.799 1.560 1.00 0.00 C ATOM 995 C SER A 64 7.858 -9.892 1.888 1.00 0.00 C ATOM 996 O SER A 64 8.205 -11.071 1.896 1.00 0.00 O ATOM 997 CB SER A 64 9.550 -8.266 2.829 1.00 0.00 C ATOM 998 OG SER A 64 10.163 -9.304 3.565 1.00 0.00 O ATOM 0 H SER A 64 7.617 -7.148 1.480 1.00 0.00 H new ATOM 0 HA SER A 64 9.636 -9.243 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.297 -7.520 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.810 -7.765 3.452 1.00 0.00 H new ATOM 0 HG SER A 64 10.585 -8.931 4.367 1.00 0.00 H new ATOM 1004 N GLY A 65 6.603 -9.503 2.154 1.00 0.00 N ATOM 1005 CA GLY A 65 5.528 -10.402 2.519 1.00 0.00 C ATOM 1006 C GLY A 65 4.693 -10.823 1.310 1.00 0.00 C ATOM 1007 O GLY A 65 3.564 -11.283 1.469 1.00 0.00 O ATOM 0 H GLY A 65 6.312 -8.526 2.117 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.944 -11.288 2.997 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.884 -9.917 3.252 1.00 0.00 H new ATOM 1011 N GLY A 66 5.260 -10.679 0.110 1.00 0.00 N ATOM 1012 CA GLY A 66 4.679 -11.105 -1.142 1.00 0.00 C ATOM 1013 C GLY A 66 4.858 -12.607 -1.341 1.00 0.00 C ATOM 1014 O GLY A 66 3.929 -13.376 -1.109 1.00 0.00 O ATOM 0 H GLY A 66 6.174 -10.243 -0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.618 -10.856 -1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.146 -10.566 -1.966 1.00 0.00 H new ATOM 1018 N PRO A 67 6.057 -13.040 -1.756 1.00 0.00 N ATOM 1019 CA PRO A 67 6.353 -14.430 -2.062 1.00 0.00 C ATOM 1020 C PRO A 67 6.326 -15.327 -0.818 1.00 0.00 C ATOM 1021 O PRO A 67 6.365 -16.547 -0.962 1.00 0.00 O ATOM 1022 CB PRO A 67 7.740 -14.400 -2.709 1.00 0.00 C ATOM 1023 CG PRO A 67 8.401 -13.199 -2.037 1.00 0.00 C ATOM 1024 CD PRO A 67 7.242 -12.215 -1.914 1.00 0.00 C ATOM 0 HA PRO A 67 5.599 -14.860 -2.721 1.00 0.00 H new ATOM 0 HB2 PRO A 67 8.292 -15.321 -2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 67 7.679 -14.276 -3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.820 -13.457 -1.064 1.00 0.00 H new ATOM 0 HG3 PRO A 67 9.216 -12.794 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.377 -11.552 -1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.167 -11.583 -2.799 1.00 0.00 H new ATOM 1032 N ARG A 68 6.247 -14.743 0.390 1.00 0.00 N ATOM 1033 CA ARG A 68 6.181 -15.472 1.653 1.00 0.00 C ATOM 1034 C ARG A 68 5.057 -16.517 1.664 1.00 0.00 C ATOM 1035 O ARG A 68 5.188 -17.550 2.318 1.00 0.00 O ATOM 1036 CB ARG A 68 6.060 -14.486 2.834 1.00 0.00 C ATOM 1037 CG ARG A 68 4.619 -14.019 3.092 1.00 0.00 C ATOM 1038 CD ARG A 68 4.508 -13.009 4.246 1.00 0.00 C ATOM 1039 NE ARG A 68 3.769 -13.551 5.392 1.00 0.00 N ATOM 1040 CZ ARG A 68 2.448 -13.794 5.411 1.00 0.00 C ATOM 1041 NH1 ARG A 68 1.685 -13.548 4.334 1.00 0.00 N ATOM 1042 NH2 ARG A 68 1.890 -14.294 6.520 1.00 0.00 N ATOM 0 H ARG A 68 6.227 -13.730 0.510 1.00 0.00 H new ATOM 0 HA ARG A 68 7.112 -16.028 1.766 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.447 -14.961 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.687 -13.616 2.637 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.222 -13.567 2.183 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.997 -14.886 3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.508 -12.716 4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.011 -12.107 3.890 1.00 0.00 H new ATOM 0 HE ARG A 68 4.299 -13.759 6.239 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.107 -13.171 3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.683 -13.738 4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.467 -14.486 7.339 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.888 -14.483 6.546 1.00 0.00 H new ATOM 1056 N SER A 69 3.950 -16.235 0.964 1.00 0.00 N ATOM 1057 CA SER A 69 2.780 -17.103 0.887 1.00 0.00 C ATOM 1058 C SER A 69 2.003 -16.832 -0.402 1.00 0.00 C ATOM 1059 O SER A 69 1.574 -17.760 -1.084 1.00 0.00 O ATOM 1060 CB SER A 69 1.885 -16.911 2.121 1.00 0.00 C ATOM 1061 OG SER A 69 1.643 -18.145 2.762 1.00 0.00 O ATOM 0 H SER A 69 3.846 -15.375 0.425 1.00 0.00 H new ATOM 0 HA SER A 69 3.114 -18.141 0.872 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.362 -16.222 2.818 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.939 -16.459 1.823 1.00 0.00 H new ATOM 0 HG SER A 69 1.073 -18.000 3.546 1.00 0.00 H new ATOM 1067 N ALA A 70 1.821 -15.545 -0.709 1.00 0.00 N ATOM 1068 CA ALA A 70 1.106 -15.045 -1.869 1.00 0.00 C ATOM 1069 C ALA A 70 1.965 -15.192 -3.136 1.00 0.00 C ATOM 1070 O ALA A 70 3.103 -15.653 -3.058 1.00 0.00 O ATOM 1071 CB ALA A 70 0.721 -13.597 -1.549 1.00 0.00 C ATOM 0 H ALA A 70 2.188 -14.795 -0.124 1.00 0.00 H new ATOM 0 HA ALA A 70 0.201 -15.616 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.178 -13.170 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.088 -13.576 -0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.623 -13.013 -1.365 1.00 0.00 H new ATOM 1077 N ARG A 71 1.419 -14.836 -4.308 1.00 0.00 N ATOM 1078 CA ARG A 71 2.087 -15.014 -5.595 1.00 0.00 C ATOM 1079 C ARG A 71 2.199 -13.651 -6.274 1.00 0.00 C ATOM 1080 O ARG A 71 1.465 -13.368 -7.214 1.00 0.00 O ATOM 1081 CB ARG A 71 1.288 -16.016 -6.446 1.00 0.00 C ATOM 1082 CG ARG A 71 2.060 -16.646 -7.617 1.00 0.00 C ATOM 1083 CD ARG A 71 2.830 -17.914 -7.216 1.00 0.00 C ATOM 1084 NE ARG A 71 4.206 -17.615 -6.802 1.00 0.00 N ATOM 1085 CZ ARG A 71 5.096 -18.527 -6.376 1.00 0.00 C ATOM 1086 NH1 ARG A 71 4.749 -19.815 -6.225 1.00 0.00 N ATOM 1087 NH2 ARG A 71 6.350 -18.143 -6.107 1.00 0.00 N ATOM 0 H ARG A 71 0.494 -14.413 -4.384 1.00 0.00 H new ATOM 0 HA ARG A 71 3.091 -15.418 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.930 -16.815 -5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.408 -15.510 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.361 -16.890 -8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.761 -15.914 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.307 -18.413 -6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.847 -18.608 -8.056 1.00 0.00 H new ATOM 0 HE ARG A 71 4.509 -16.642 -6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.797 -20.115 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 71 5.438 -20.494 -5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.621 -17.167 -6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.034 -18.827 -5.783 1.00 0.00 H new ATOM 1101 N VAL A 72 3.115 -12.804 -5.795 1.00 0.00 N ATOM 1102 CA VAL A 72 3.339 -11.478 -6.359 1.00 0.00 C ATOM 1103 C VAL A 72 4.005 -11.634 -7.726 1.00 0.00 C ATOM 1104 O VAL A 72 5.222 -11.790 -7.810 1.00 0.00 O ATOM 1105 CB VAL A 72 4.175 -10.623 -5.390 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.497 -9.237 -5.967 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.393 -10.411 -4.090 1.00 0.00 C ATOM 0 H VAL A 72 3.721 -13.023 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 72 2.393 -10.955 -6.499 1.00 0.00 H new ATOM 0 HB VAL A 72 5.108 -11.160 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.088 -8.671 -5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.063 -9.350 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.569 -8.704 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.985 -9.806 -3.404 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.456 -9.900 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.181 -11.377 -3.631 1.00 0.00 H new ATOM 1117 N GLU A 73 3.197 -11.601 -8.792 1.00 0.00 N ATOM 1118 CA GLU A 73 3.675 -11.704 -10.162 1.00 0.00 C ATOM 1119 C GLU A 73 4.577 -10.512 -10.473 1.00 0.00 C ATOM 1120 O GLU A 73 5.761 -10.698 -10.744 1.00 0.00 O ATOM 1121 CB GLU A 73 2.494 -11.840 -11.143 1.00 0.00 C ATOM 1122 CG GLU A 73 2.759 -12.910 -12.209 1.00 0.00 C ATOM 1123 CD GLU A 73 1.534 -13.131 -13.093 1.00 0.00 C ATOM 1124 OE1 GLU A 73 0.526 -13.632 -12.547 1.00 0.00 O ATOM 1125 OE2 GLU A 73 1.625 -12.796 -14.293 1.00 0.00 O ATOM 0 H GLU A 73 2.185 -11.501 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 73 4.272 -12.608 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.590 -12.094 -10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.312 -10.881 -11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.605 -12.609 -12.826 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.034 -13.847 -11.725 1.00 0.00 H new ATOM 1132 N ARG A 74 4.018 -9.296 -10.405 1.00 0.00 N ATOM 1133 CA ARG A 74 4.700 -8.043 -10.706 1.00 0.00 C ATOM 1134 C ARG A 74 4.065 -6.902 -9.907 1.00 0.00 C ATOM 1135 O ARG A 74 2.956 -7.046 -9.398 1.00 0.00 O ATOM 1136 CB ARG A 74 4.601 -7.751 -12.213 1.00 0.00 C ATOM 1137 CG ARG A 74 5.476 -8.657 -13.095 1.00 0.00 C ATOM 1138 CD ARG A 74 6.980 -8.538 -12.790 1.00 0.00 C ATOM 1139 NE ARG A 74 7.427 -7.139 -12.762 1.00 0.00 N ATOM 1140 CZ ARG A 74 7.538 -6.343 -13.838 1.00 0.00 C ATOM 1141 NH1 ARG A 74 7.326 -6.824 -15.071 1.00 0.00 N ATOM 1142 NH2 ARG A 74 7.857 -5.053 -13.673 1.00 0.00 N ATOM 0 H ARG A 74 3.046 -9.160 -10.129 1.00 0.00 H new ATOM 0 HA ARG A 74 5.750 -8.127 -10.427 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.562 -7.857 -12.524 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.882 -6.713 -12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.166 -9.693 -12.959 1.00 0.00 H new ATOM 0 HG3 ARG A 74 5.304 -8.408 -14.142 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.193 -9.006 -11.829 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.547 -9.085 -13.543 1.00 0.00 H new ATOM 0 HE ARG A 74 7.672 -6.741 -11.855 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.077 -7.805 -15.200 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.413 -6.209 -15.880 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.014 -4.682 -12.736 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.943 -4.441 -14.485 1.00 0.00 H new ATOM 1156 N VAL A 75 4.788 -5.780 -9.767 1.00 0.00 N ATOM 1157 CA VAL A 75 4.347 -4.607 -9.015 1.00 0.00 C ATOM 1158 C VAL A 75 4.797 -3.332 -9.734 1.00 0.00 C ATOM 1159 O VAL A 75 5.919 -3.294 -10.240 1.00 0.00 O ATOM 1160 CB VAL A 75 4.934 -4.643 -7.590 1.00 0.00 C ATOM 1161 CG1 VAL A 75 4.336 -3.522 -6.725 1.00 0.00 C ATOM 1162 CG2 VAL A 75 4.651 -5.980 -6.892 1.00 0.00 C ATOM 0 H VAL A 75 5.712 -5.666 -10.183 1.00 0.00 H new ATOM 0 HA VAL A 75 3.259 -4.614 -8.948 1.00 0.00 H new ATOM 0 HB VAL A 75 6.011 -4.509 -7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.765 -3.567 -5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.563 -2.555 -7.174 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.255 -3.648 -6.663 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.081 -5.966 -5.890 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.574 -6.133 -6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.097 -6.792 -7.467 1.00 0.00 H new ATOM 1172 N LEU A 76 3.946 -2.296 -9.767 1.00 0.00 N ATOM 1173 CA LEU A 76 4.250 -1.010 -10.403 1.00 0.00 C ATOM 1174 C LEU A 76 3.969 0.154 -9.453 1.00 0.00 C ATOM 1175 O LEU A 76 3.180 -0.023 -8.531 1.00 0.00 O ATOM 1176 CB LEU A 76 3.378 -0.872 -11.660 1.00 0.00 C ATOM 1177 CG LEU A 76 4.108 -0.171 -12.815 1.00 0.00 C ATOM 1178 CD1 LEU A 76 5.185 -1.079 -13.432 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.086 0.180 -13.900 1.00 0.00 C ATOM 0 H LEU A 76 3.017 -2.330 -9.347 1.00 0.00 H new ATOM 0 HA LEU A 76 5.308 -0.982 -10.664 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.058 -1.862 -11.986 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.477 -0.311 -11.412 1.00 0.00 H new ATOM 0 HG LEU A 76 4.592 0.724 -12.424 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.682 -0.552 -14.246 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.918 -1.344 -12.670 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.719 -1.986 -13.818 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.591 0.679 -14.727 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.611 -0.732 -14.261 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.328 0.844 -13.484 1.00 0.00 H new ATOM 1191 N SER A 77 4.603 1.317 -9.676 1.00 0.00 N ATOM 1192 CA SER A 77 4.455 2.509 -8.833 1.00 0.00 C ATOM 1193 C SER A 77 4.369 3.786 -9.685 1.00 0.00 C ATOM 1194 O SER A 77 5.243 4.002 -10.520 1.00 0.00 O ATOM 1195 CB SER A 77 5.647 2.624 -7.865 1.00 0.00 C ATOM 1196 OG SER A 77 6.524 1.517 -7.945 1.00 0.00 O ATOM 0 H SER A 77 5.242 1.455 -10.459 1.00 0.00 H new ATOM 0 HA SER A 77 3.529 2.404 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.200 3.537 -8.084 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.274 2.714 -6.845 1.00 0.00 H new ATOM 0 HG SER A 77 7.263 1.639 -7.313 1.00 0.00 H new ATOM 1202 N GLU A 78 3.364 4.641 -9.444 1.00 0.00 N ATOM 1203 CA GLU A 78 3.106 5.875 -10.197 1.00 0.00 C ATOM 1204 C GLU A 78 2.915 7.060 -9.236 1.00 0.00 C ATOM 1205 O GLU A 78 2.587 6.854 -8.068 1.00 0.00 O ATOM 1206 CB GLU A 78 1.856 5.683 -11.078 1.00 0.00 C ATOM 1207 CG GLU A 78 2.155 5.430 -12.568 1.00 0.00 C ATOM 1208 CD GLU A 78 3.227 4.370 -12.823 1.00 0.00 C ATOM 1209 OE1 GLU A 78 2.999 3.207 -12.428 1.00 0.00 O ATOM 1210 OE2 GLU A 78 4.258 4.748 -13.420 1.00 0.00 O ATOM 0 H GLU A 78 2.688 4.487 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 78 3.962 6.094 -10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.279 4.844 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.227 6.569 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.234 5.125 -13.065 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.470 6.367 -13.028 1.00 0.00 H new ATOM 1217 N PRO A 79 3.101 8.304 -9.717 1.00 0.00 N ATOM 1218 CA PRO A 79 2.963 9.523 -8.930 1.00 0.00 C ATOM 1219 C PRO A 79 1.491 9.800 -8.608 1.00 0.00 C ATOM 1220 O PRO A 79 0.646 9.770 -9.503 1.00 0.00 O ATOM 1221 CB PRO A 79 3.576 10.628 -9.794 1.00 0.00 C ATOM 1222 CG PRO A 79 3.322 10.139 -11.219 1.00 0.00 C ATOM 1223 CD PRO A 79 3.487 8.628 -11.081 1.00 0.00 C ATOM 0 HA PRO A 79 3.465 9.451 -7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.103 11.593 -9.609 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.640 10.751 -9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.326 10.409 -11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 79 4.034 10.563 -11.927 1.00 0.00 H new ATOM 0 HD2 PRO A 79 2.860 8.100 -11.799 1.00 0.00 H new ATOM 0 HD3 PRO A 79 4.517 8.329 -11.276 1.00 0.00 H new ATOM 1231 N HIS A 80 1.189 10.066 -7.330 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.158 10.309 -6.831 1.00 0.00 C ATOM 1233 C HIS A 80 -0.241 11.714 -6.227 1.00 0.00 C ATOM 1234 O HIS A 80 0.452 12.012 -5.260 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.511 9.232 -5.792 1.00 0.00 C ATOM 1236 CG HIS A 80 -1.981 8.918 -5.715 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.671 8.318 -6.755 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -2.861 9.108 -4.680 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -3.933 8.155 -6.325 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.094 8.634 -5.081 1.00 0.00 N ATOM 0 H HIS A 80 1.899 10.118 -6.600 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.877 10.253 -7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.034 8.318 -6.031 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.168 9.561 -4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.630 9.550 -3.722 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.719 7.696 -6.907 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.958 8.645 -4.539 1.00 0.00 H new ATOM 1249 N HIS A 81 -1.077 12.590 -6.793 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.220 13.958 -6.302 1.00 0.00 C ATOM 1251 C HIS A 81 -2.691 14.269 -5.995 1.00 0.00 C ATOM 1252 O HIS A 81 -3.303 15.071 -6.699 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.617 14.894 -7.358 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.450 16.335 -6.938 1.00 0.00 C ATOM 1255 ND1 HIS A 81 -0.403 16.757 -5.616 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.255 17.436 -7.732 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.191 18.083 -5.648 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.095 18.534 -6.910 1.00 0.00 N ATOM 0 H HIS A 81 -1.667 12.371 -7.596 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.687 14.099 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.359 14.504 -7.648 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.249 14.865 -8.246 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -0.231 17.443 -8.812 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.108 18.707 -4.771 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.065 19.498 -7.203 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.280 13.640 -4.963 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.690 13.786 -4.635 1.00 0.00 C ATOM 1269 C PRO A 82 -4.963 15.178 -4.055 1.00 0.00 C ATOM 1270 O PRO A 82 -4.152 15.706 -3.296 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.989 12.676 -3.622 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.644 12.472 -2.924 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.640 12.706 -4.054 1.00 0.00 C ATOM 0 HA PRO A 82 -5.332 13.696 -5.512 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.768 12.971 -2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.331 11.764 -4.112 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.502 13.176 -2.104 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.554 11.471 -2.503 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.705 13.113 -3.669 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.396 11.772 -4.560 1.00 0.00 H new ATOM 1281 N SER A 83 -6.105 15.771 -4.429 1.00 0.00 N ATOM 1282 CA SER A 83 -6.521 17.083 -3.953 1.00 0.00 C ATOM 1283 C SER A 83 -6.963 17.015 -2.490 1.00 0.00 C ATOM 1284 O SER A 83 -7.535 16.016 -2.055 1.00 0.00 O ATOM 1285 CB SER A 83 -7.639 17.639 -4.844 1.00 0.00 C ATOM 1286 OG SER A 83 -8.735 16.750 -4.905 1.00 0.00 O ATOM 0 H SER A 83 -6.767 15.344 -5.077 1.00 0.00 H new ATOM 0 HA SER A 83 -5.669 17.761 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.970 18.603 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.254 17.814 -5.848 1.00 0.00 H new ATOM 0 HG SER A 83 -9.433 17.130 -5.478 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.682 18.086 -1.737 1.00 0.00 N ATOM 1293 CA GLY A 84 -6.947 18.179 -0.307 1.00 0.00 C ATOM 1294 C GLY A 84 -6.085 17.212 0.502 1.00 0.00 C ATOM 1295 O GLY A 84 -5.407 16.346 -0.050 1.00 0.00 O ATOM 0 H GLY A 84 -6.254 18.929 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.761 19.199 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.000 17.969 -0.120 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.119 17.372 1.828 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.406 16.505 2.755 1.00 0.00 C ATOM 1301 C GLU A 85 -6.329 15.367 3.195 1.00 0.00 C ATOM 1302 O GLU A 85 -7.514 15.585 3.441 1.00 0.00 O ATOM 1303 CB GLU A 85 -4.817 17.318 3.922 1.00 0.00 C ATOM 1304 CG GLU A 85 -5.764 17.604 5.098 1.00 0.00 C ATOM 1305 CD GLU A 85 -7.022 18.378 4.709 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -6.904 19.268 3.838 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -8.082 18.068 5.295 1.00 0.00 O ATOM 0 H GLU A 85 -6.648 18.114 2.286 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.549 16.047 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -3.947 16.785 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.461 18.271 3.530 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.058 16.658 5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.223 18.168 5.858 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.792 14.144 3.269 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.551 12.976 3.697 1.00 0.00 C ATOM 1316 C LEU A 86 -6.620 12.947 5.226 1.00 0.00 C ATOM 1317 O LEU A 86 -5.727 13.462 5.899 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.893 11.714 3.122 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.687 10.409 3.317 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -8.112 10.475 2.755 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.966 9.279 2.575 1.00 0.00 C ATOM 0 H LEU A 86 -4.820 13.942 3.033 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.574 13.021 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -5.729 11.864 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.912 11.595 3.581 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.749 10.241 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.615 9.523 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.664 11.272 3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.072 10.677 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.518 8.348 2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.906 9.521 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.960 9.163 2.978 1.00 0.00 H new ATOM 1333 N THR A 87 -7.683 12.346 5.772 1.00 0.00 N ATOM 1334 CA THR A 87 -7.899 12.236 7.204 1.00 0.00 C ATOM 1335 C THR A 87 -6.959 11.161 7.749 1.00 0.00 C ATOM 1336 O THR A 87 -5.966 11.487 8.395 1.00 0.00 O ATOM 1337 CB THR A 87 -9.390 11.960 7.472 1.00 0.00 C ATOM 1338 OG1 THR A 87 -10.146 13.047 6.977 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.696 11.786 8.962 1.00 0.00 C ATOM 0 H THR A 87 -8.424 11.919 5.216 1.00 0.00 H new ATOM 0 HA THR A 87 -7.664 13.163 7.727 1.00 0.00 H new ATOM 0 HB THR A 87 -9.651 11.028 6.971 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.099 12.884 7.139 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.761 11.594 9.095 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.124 10.946 9.355 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.422 12.694 9.498 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.271 9.887 7.480 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.519 8.749 7.999 1.00 0.00 C ATOM 1349 C ASP A 88 -6.509 7.598 6.992 1.00 0.00 C ATOM 1350 O ASP A 88 -7.264 7.608 6.019 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.085 8.335 9.368 1.00 0.00 C ATOM 1352 CG ASP A 88 -8.311 7.431 9.283 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -9.320 7.886 8.702 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -8.216 6.304 9.815 1.00 0.00 O ATOM 0 H ASP A 88 -8.060 9.620 6.891 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.478 9.036 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.306 7.822 9.932 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.346 9.233 9.929 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.645 6.605 7.230 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.565 5.410 6.403 1.00 0.00 C ATOM 1361 C PHE A 89 -6.804 4.535 6.609 1.00 0.00 C ATOM 1362 O PHE A 89 -7.319 4.443 7.721 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.272 4.638 6.695 1.00 0.00 C ATOM 1364 CG PHE A 89 -4.190 3.261 6.061 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -4.710 2.147 6.746 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -3.650 3.094 4.770 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -4.738 0.889 6.124 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -3.635 1.821 4.171 1.00 0.00 C ATOM 1369 CZ PHE A 89 -4.204 0.725 4.839 1.00 0.00 C ATOM 0 H PHE A 89 -4.982 6.614 8.005 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.540 5.708 5.355 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.426 5.232 6.349 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.166 4.531 7.775 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.088 2.260 7.751 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.247 3.944 4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.173 0.044 6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.186 1.687 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.230 -0.244 4.363 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.263 3.876 5.539 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.411 2.980 5.591 1.00 0.00 C ATOM 1381 C ARG A 90 -8.221 1.810 4.632 1.00 0.00 C ATOM 1382 O ARG A 90 -7.182 1.686 3.992 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.702 3.763 5.312 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.839 4.188 3.842 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.987 5.185 3.648 1.00 0.00 C ATOM 1386 NE ARG A 90 -12.254 4.654 4.171 1.00 0.00 N ATOM 1387 CZ ARG A 90 -13.470 5.189 3.980 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -13.635 6.281 3.221 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -14.531 4.613 4.562 1.00 0.00 N ATOM 0 H ARG A 90 -6.844 3.953 4.612 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.496 2.557 6.592 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.560 3.150 5.589 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.727 4.650 5.945 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.905 4.637 3.504 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.012 3.308 3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.747 6.121 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.097 5.414 2.588 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.205 3.802 4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.829 6.720 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.567 6.673 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -14.407 3.781 5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.462 5.006 4.428 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.233 0.944 4.531 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.201 -0.221 3.668 1.00 0.00 C ATOM 1405 C ILE A 91 -10.598 -0.823 3.580 1.00 0.00 C ATOM 1406 O ILE A 91 -11.310 -0.889 4.580 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.171 -1.246 4.168 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.240 -2.498 3.289 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -8.355 -1.623 5.646 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -6.904 -3.213 3.334 1.00 0.00 C ATOM 0 H ILE A 91 -10.103 1.041 5.055 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.889 0.079 2.667 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.188 -0.780 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.032 -3.160 3.639 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.485 -2.223 2.263 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.595 -2.350 5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.256 -0.731 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -9.345 -2.056 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.948 -4.105 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.123 -2.549 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.679 -3.500 4.361 1.00 0.00 H new ATOM 1422 N ARG A 92 -10.971 -1.258 2.374 1.00 0.00 N ATOM 1423 CA ARG A 92 -12.222 -1.962 2.141 1.00 0.00 C ATOM 1424 C ARG A 92 -12.145 -3.386 2.705 1.00 0.00 C ATOM 1425 O ARG A 92 -12.867 -3.649 3.691 1.00 0.00 O ATOM 1426 CB ARG A 92 -12.596 -1.913 0.654 1.00 0.00 C ATOM 1427 CG ARG A 92 -11.528 -2.485 -0.293 1.00 0.00 C ATOM 1428 CD ARG A 92 -11.935 -3.774 -1.015 1.00 0.00 C ATOM 1429 NE ARG A 92 -13.211 -3.637 -1.736 1.00 0.00 N ATOM 1430 CZ ARG A 92 -13.411 -2.982 -2.892 1.00 0.00 C ATOM 1431 NH1 ARG A 92 -12.393 -2.415 -3.555 1.00 0.00 N ATOM 1432 NH2 ARG A 92 -14.652 -2.889 -3.387 1.00 0.00 N ATOM 1433 OXT ARG A 92 -11.349 -4.185 2.166 1.00 0.00 O ATOM 0 H ARG A 92 -10.408 -1.129 1.533 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.030 -1.462 2.676 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.525 -2.464 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.792 -0.878 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.281 -1.729 -1.039 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.620 -2.676 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.152 -4.055 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -12.016 -4.583 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.026 -4.084 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.445 -2.476 -3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.566 -1.922 -4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.434 -3.313 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.816 -2.394 -4.264 1.00 0.00 H new TER 1447 ARG A 92