USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 457 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 22 THR OG1 : rot -24:sc= 0.0685 USER MOD Set 1.2: A 25 THR OG1 : rot -70:sc= 1.32 USER MOD Set 1.3: A 27 CYS SG : rot -91:sc= 1.09 USER MOD Single : A 7 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0527) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -1.65! USER MOD Single : A 15 GLN : amide:sc= -0.677 K(o=-0.68,f=-0.17) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 106:sc= 0.181 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0632) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 74:sc= 0.349 USER MOD Single : A 34 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0534) USER MOD Single : A 35 TYR OH : rot 90:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.24 X(o=-1.2,f=-1) USER MOD Single : A 39 ASN : amide:sc= 0.0589 X(o=0.059,f=-0.3) USER MOD Single : A 40 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-2.6!) USER MOD Single : A 42 ASN : amide:sc= -0.372 K(o=-0.37,f=-7.4!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.044) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0029) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0336 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 2.16 (180deg=1.94) USER MOD Single : A 57 THR OG1 : rot -49:sc= 0.45 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 25.217 -1.811 -2.399 1.00 0.00 N ATOM 2 CA ILE A 6 24.086 -2.663 -2.742 1.00 0.00 C ATOM 3 C ILE A 6 22.873 -1.780 -3.024 1.00 0.00 C ATOM 4 O ILE A 6 21.833 -1.892 -2.373 1.00 0.00 O ATOM 5 CB ILE A 6 23.829 -3.692 -1.632 1.00 0.00 C ATOM 6 CG1 ILE A 6 25.109 -4.459 -1.259 1.00 0.00 C ATOM 7 CG2 ILE A 6 22.750 -4.683 -2.085 1.00 0.00 C ATOM 8 CD1 ILE A 6 25.734 -5.203 -2.441 1.00 0.00 C ATOM 0 HA ILE A 6 24.302 -3.237 -3.643 1.00 0.00 H new ATOM 0 HB ILE A 6 23.492 -3.151 -0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 6 25.839 -3.759 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 6 24.879 -5.174 -0.469 1.00 0.00 H new ATOM 0 HG21 ILE A 6 22.570 -5.412 -1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 6 21.827 -4.144 -2.298 1.00 0.00 H new ATOM 0 HG23 ILE A 6 23.085 -5.199 -2.985 1.00 0.00 H new ATOM 0 HD11 ILE A 6 26.633 -5.723 -2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.020 -5.927 -2.834 1.00 0.00 H new ATOM 0 HD13 ILE A 6 25.995 -4.490 -3.223 1.00 0.00 H new ATOM 19 N LYS A 7 22.997 -0.888 -4.006 1.00 0.00 N ATOM 20 CA LYS A 7 21.918 0.003 -4.375 1.00 0.00 C ATOM 21 C LYS A 7 20.968 -0.691 -5.335 1.00 0.00 C ATOM 22 O LYS A 7 21.389 -1.320 -6.305 1.00 0.00 O ATOM 23 CB LYS A 7 22.508 1.285 -4.952 1.00 0.00 C ATOM 24 CG LYS A 7 23.377 1.970 -3.892 1.00 0.00 C ATOM 25 CD LYS A 7 22.552 2.550 -2.740 1.00 0.00 C ATOM 26 CE LYS A 7 23.432 2.691 -1.499 1.00 0.00 C ATOM 27 NZ LYS A 7 24.554 3.623 -1.723 1.00 0.00 N ATOM 0 H LYS A 7 23.845 -0.769 -4.560 1.00 0.00 H new ATOM 0 HA LYS A 7 21.330 0.272 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 7 23.105 1.058 -5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 7 21.709 1.954 -5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 7 24.094 1.251 -3.495 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.953 2.769 -4.360 1.00 0.00 H new ATOM 0 HD2 LYS A 7 22.147 3.521 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 7 21.703 1.901 -2.524 1.00 0.00 H new ATOM 0 HE2 LYS A 7 22.828 3.045 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 7 23.823 1.713 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 25.026 3.823 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 25.235 3.194 -2.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 24.193 4.510 -2.128 1.00 0.00 H new ATOM 41 N ARG A 8 19.678 -0.558 -5.042 1.00 0.00 N ATOM 42 CA ARG A 8 18.599 -1.216 -5.749 1.00 0.00 C ATOM 43 C ARG A 8 17.484 -0.232 -6.083 1.00 0.00 C ATOM 44 O ARG A 8 16.328 -0.413 -5.703 1.00 0.00 O ATOM 45 CB ARG A 8 18.154 -2.430 -4.942 1.00 0.00 C ATOM 46 CG ARG A 8 17.619 -2.085 -3.556 1.00 0.00 C ATOM 47 CD ARG A 8 18.718 -1.942 -2.504 1.00 0.00 C ATOM 48 NE ARG A 8 18.138 -1.701 -1.181 1.00 0.00 N ATOM 49 CZ ARG A 8 18.845 -1.654 -0.048 1.00 0.00 C ATOM 50 NH1 ARG A 8 20.166 -1.822 -0.062 1.00 0.00 N ATOM 51 NH2 ARG A 8 18.226 -1.440 1.108 1.00 0.00 N ATOM 0 H ARG A 8 19.350 0.033 -4.278 1.00 0.00 H new ATOM 0 HA ARG A 8 18.937 -1.584 -6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 8 17.381 -2.961 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 8 18.997 -3.113 -4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 8 17.056 -1.153 -3.613 1.00 0.00 H new ATOM 0 HG3 ARG A 8 16.921 -2.860 -3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 8 19.326 -2.846 -2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 8 19.380 -1.119 -2.772 1.00 0.00 H new ATOM 0 HE ARG A 8 17.130 -1.560 -1.120 1.00 0.00 H new ATOM 0 HH11 ARG A 8 20.650 -1.989 -0.944 1.00 0.00 H new ATOM 0 HH12 ARG A 8 20.694 -1.784 0.810 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.214 -1.312 1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.763 -1.404 1.975 1.00 0.00 H new ATOM 65 N LYS A 9 17.866 0.822 -6.808 1.00 0.00 N ATOM 66 CA LYS A 9 17.036 1.967 -7.168 1.00 0.00 C ATOM 67 C LYS A 9 15.987 1.630 -8.223 1.00 0.00 C ATOM 68 O LYS A 9 15.798 2.378 -9.180 1.00 0.00 O ATOM 69 CB LYS A 9 17.945 3.112 -7.624 1.00 0.00 C ATOM 70 CG LYS A 9 19.052 3.359 -6.597 1.00 0.00 C ATOM 71 CD LYS A 9 19.941 4.510 -7.071 1.00 0.00 C ATOM 72 CE LYS A 9 21.023 4.796 -6.032 1.00 0.00 C ATOM 73 NZ LYS A 9 21.878 5.921 -6.453 1.00 0.00 N ATOM 0 H LYS A 9 18.813 0.901 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 9 16.473 2.273 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 9 18.386 2.871 -8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.357 4.020 -7.759 1.00 0.00 H new ATOM 0 HG2 LYS A 9 18.616 3.598 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.648 2.456 -6.465 1.00 0.00 H new ATOM 0 HD2 LYS A 9 20.401 4.256 -8.026 1.00 0.00 H new ATOM 0 HD3 LYS A 9 19.338 5.403 -7.235 1.00 0.00 H new ATOM 0 HE2 LYS A 9 20.559 5.027 -5.073 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.634 3.906 -5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 22.605 6.094 -5.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 22.338 5.689 -7.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 21.296 6.775 -6.570 1.00 0.00 H new ATOM 87 N ASP A 10 15.304 0.500 -8.047 1.00 0.00 N ATOM 88 CA ASP A 10 14.278 0.049 -8.972 1.00 0.00 C ATOM 89 C ASP A 10 13.141 -0.619 -8.216 1.00 0.00 C ATOM 90 O ASP A 10 11.980 -0.427 -8.573 1.00 0.00 O ATOM 91 CB ASP A 10 14.920 -0.913 -9.968 1.00 0.00 C ATOM 92 CG ASP A 10 13.936 -1.324 -11.058 1.00 0.00 C ATOM 93 OD1 ASP A 10 13.627 -0.466 -11.917 1.00 0.00 O ATOM 94 OD2 ASP A 10 13.498 -2.498 -11.026 1.00 0.00 O ATOM 0 H ASP A 10 15.451 -0.127 -7.256 1.00 0.00 H new ATOM 0 HA ASP A 10 13.855 0.897 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.792 -0.441 -10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 10 15.275 -1.800 -9.443 1.00 0.00 H new ATOM 99 N ALA A 11 13.469 -1.392 -7.176 1.00 0.00 N ATOM 100 CA ALA A 11 12.471 -2.029 -6.343 1.00 0.00 C ATOM 101 C ALA A 11 13.142 -2.661 -5.131 1.00 0.00 C ATOM 102 O ALA A 11 13.358 -3.870 -5.062 1.00 0.00 O ATOM 103 CB ALA A 11 11.700 -3.066 -7.151 1.00 0.00 C ATOM 0 H ALA A 11 14.431 -1.587 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 11 11.760 -1.282 -5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.952 -3.540 -6.515 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.206 -2.579 -7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.390 -3.823 -7.525 1.00 0.00 H new ATOM 109 N SER A 12 13.466 -1.794 -4.175 1.00 0.00 N ATOM 110 CA SER A 12 13.943 -2.144 -2.854 1.00 0.00 C ATOM 111 C SER A 12 12.890 -2.981 -2.115 1.00 0.00 C ATOM 112 O SER A 12 11.829 -3.281 -2.656 1.00 0.00 O ATOM 113 CB SER A 12 14.189 -0.826 -2.124 1.00 0.00 C ATOM 114 OG SER A 12 15.385 -0.771 -1.377 1.00 0.00 O ATOM 0 H SER A 12 13.398 -0.786 -4.313 1.00 0.00 H new ATOM 0 HA SER A 12 14.854 -2.741 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.199 -0.019 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.351 -0.638 -1.453 1.00 0.00 H new ATOM 0 HG SER A 12 15.462 0.106 -0.946 1.00 0.00 H new ATOM 120 N PRO A 13 13.186 -3.357 -0.868 1.00 0.00 N ATOM 121 CA PRO A 13 12.375 -4.236 -0.039 1.00 0.00 C ATOM 122 C PRO A 13 11.061 -3.587 0.359 1.00 0.00 C ATOM 123 O PRO A 13 10.057 -4.263 0.576 1.00 0.00 O ATOM 124 CB PRO A 13 13.203 -4.445 1.229 1.00 0.00 C ATOM 125 CG PRO A 13 14.618 -3.995 0.861 1.00 0.00 C ATOM 126 CD PRO A 13 14.378 -2.936 -0.185 1.00 0.00 C ATOM 0 HA PRO A 13 12.135 -5.154 -0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.807 -3.860 2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 13 13.190 -5.490 1.540 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.151 -3.596 1.724 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.215 -4.819 0.471 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.247 -1.954 0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 13 15.221 -2.860 -0.872 1.00 0.00 H new ATOM 134 N GLU A 14 11.090 -2.262 0.448 1.00 0.00 N ATOM 135 CA GLU A 14 9.915 -1.470 0.762 1.00 0.00 C ATOM 136 C GLU A 14 9.247 -1.026 -0.524 1.00 0.00 C ATOM 137 O GLU A 14 8.032 -0.898 -0.578 1.00 0.00 O ATOM 138 CB GLU A 14 10.337 -0.232 1.546 1.00 0.00 C ATOM 139 CG GLU A 14 11.249 -0.617 2.697 1.00 0.00 C ATOM 140 CD GLU A 14 11.662 0.601 3.516 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.523 1.362 3.025 1.00 0.00 O ATOM 142 OE2 GLU A 14 11.114 0.767 4.629 1.00 0.00 O ATOM 0 H GLU A 14 11.934 -1.708 0.303 1.00 0.00 H new ATOM 0 HA GLU A 14 9.223 -2.070 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.851 0.467 0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.455 0.281 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.740 -1.334 3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.138 -1.113 2.308 1.00 0.00 H new ATOM 149 N GLN A 15 10.055 -0.790 -1.557 1.00 0.00 N ATOM 150 CA GLN A 15 9.586 -0.274 -2.830 1.00 0.00 C ATOM 151 C GLN A 15 8.842 -1.348 -3.615 1.00 0.00 C ATOM 152 O GLN A 15 8.134 -1.029 -4.564 1.00 0.00 O ATOM 153 CB GLN A 15 10.794 0.184 -3.643 1.00 0.00 C ATOM 154 CG GLN A 15 11.570 1.341 -3.007 1.00 0.00 C ATOM 155 CD GLN A 15 10.693 2.555 -2.736 1.00 0.00 C ATOM 156 OE1 GLN A 15 10.648 3.500 -3.519 1.00 0.00 O ATOM 157 NE2 GLN A 15 9.988 2.525 -1.611 1.00 0.00 N ATOM 0 H GLN A 15 11.061 -0.955 -1.527 1.00 0.00 H new ATOM 0 HA GLN A 15 8.903 0.555 -2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.469 -0.661 -3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.458 0.487 -4.635 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.016 1.004 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.390 1.629 -3.665 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.055 1.720 -0.988 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.379 3.307 -1.369 1.00 0.00 H new ATOM 166 N GLU A 16 8.991 -2.619 -3.235 1.00 0.00 N ATOM 167 CA GLU A 16 8.324 -3.689 -3.959 1.00 0.00 C ATOM 168 C GLU A 16 6.876 -3.763 -3.501 1.00 0.00 C ATOM 169 O GLU A 16 6.049 -4.413 -4.142 1.00 0.00 O ATOM 170 CB GLU A 16 9.062 -5.015 -3.765 1.00 0.00 C ATOM 171 CG GLU A 16 9.050 -5.427 -2.296 1.00 0.00 C ATOM 172 CD GLU A 16 9.613 -6.834 -2.116 1.00 0.00 C ATOM 173 OE1 GLU A 16 10.857 -6.966 -2.120 1.00 0.00 O ATOM 174 OE2 GLU A 16 8.796 -7.772 -1.978 1.00 0.00 O ATOM 0 H GLU A 16 9.558 -2.923 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 16 8.337 -3.482 -5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.592 -5.791 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.091 -4.919 -4.113 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.638 -4.719 -1.712 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.031 -5.388 -1.912 1.00 0.00 H new ATOM 181 N ALA A 17 6.577 -3.088 -2.388 1.00 0.00 N ATOM 182 CA ALA A 17 5.209 -2.894 -1.966 1.00 0.00 C ATOM 183 C ALA A 17 4.804 -1.443 -2.192 1.00 0.00 C ATOM 184 O ALA A 17 3.756 -1.192 -2.775 1.00 0.00 O ATOM 185 CB ALA A 17 5.049 -3.322 -0.511 1.00 0.00 C ATOM 0 H ALA A 17 7.273 -2.671 -1.770 1.00 0.00 H new ATOM 0 HA ALA A 17 4.541 -3.517 -2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.015 -3.173 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.310 -4.376 -0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.707 -2.724 0.119 1.00 0.00 H new ATOM 191 N ILE A 18 5.620 -0.488 -1.747 1.00 0.00 N ATOM 192 CA ILE A 18 5.279 0.923 -1.831 1.00 0.00 C ATOM 193 C ILE A 18 5.064 1.374 -3.258 1.00 0.00 C ATOM 194 O ILE A 18 4.053 2.002 -3.535 1.00 0.00 O ATOM 195 CB ILE A 18 6.361 1.775 -1.159 1.00 0.00 C ATOM 196 CG1 ILE A 18 6.097 1.712 0.339 1.00 0.00 C ATOM 197 CG2 ILE A 18 6.310 3.236 -1.620 1.00 0.00 C ATOM 198 CD1 ILE A 18 7.301 2.225 1.127 1.00 0.00 C ATOM 0 H ILE A 18 6.528 -0.673 -1.322 1.00 0.00 H new ATOM 0 HA ILE A 18 4.336 1.060 -1.302 1.00 0.00 H new ATOM 0 HB ILE A 18 7.346 1.391 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.217 2.308 0.583 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.877 0.685 0.631 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.094 3.803 -1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.461 3.283 -2.698 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.338 3.662 -1.371 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.088 2.170 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.173 1.612 0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.503 3.260 0.850 1.00 0.00 H new ATOM 210 N GLU A 19 5.975 1.074 -4.179 1.00 0.00 N ATOM 211 CA GLU A 19 5.806 1.598 -5.522 1.00 0.00 C ATOM 212 C GLU A 19 4.681 0.879 -6.254 1.00 0.00 C ATOM 213 O GLU A 19 4.126 1.407 -7.215 1.00 0.00 O ATOM 214 CB GLU A 19 7.125 1.532 -6.277 1.00 0.00 C ATOM 215 CG GLU A 19 8.170 2.301 -5.478 1.00 0.00 C ATOM 216 CD GLU A 19 9.323 2.771 -6.365 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.221 1.947 -6.644 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.292 3.959 -6.761 1.00 0.00 O ATOM 0 H GLU A 19 6.802 0.496 -4.028 1.00 0.00 H new ATOM 0 HA GLU A 19 5.513 2.646 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.435 0.496 -6.410 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.015 1.962 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.703 3.162 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.558 1.667 -4.681 1.00 0.00 H new ATOM 225 N SER A 20 4.336 -0.327 -5.799 1.00 0.00 N ATOM 226 CA SER A 20 3.278 -1.102 -6.430 1.00 0.00 C ATOM 227 C SER A 20 1.945 -0.598 -5.898 1.00 0.00 C ATOM 228 O SER A 20 0.931 -0.581 -6.595 1.00 0.00 O ATOM 229 CB SER A 20 3.467 -2.579 -6.080 1.00 0.00 C ATOM 230 OG SER A 20 2.644 -3.379 -6.903 1.00 0.00 O ATOM 0 H SER A 20 4.775 -0.783 -4.999 1.00 0.00 H new ATOM 0 HA SER A 20 3.306 -0.993 -7.514 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.511 -2.862 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.221 -2.747 -5.032 1.00 0.00 H new ATOM 0 HG SER A 20 2.772 -4.323 -6.674 1.00 0.00 H new ATOM 236 N PHE A 21 1.974 -0.182 -4.633 1.00 0.00 N ATOM 237 CA PHE A 21 0.819 0.260 -3.898 1.00 0.00 C ATOM 238 C PHE A 21 0.498 1.697 -4.265 1.00 0.00 C ATOM 239 O PHE A 21 -0.584 2.001 -4.750 1.00 0.00 O ATOM 240 CB PHE A 21 1.189 0.153 -2.426 1.00 0.00 C ATOM 241 CG PHE A 21 0.062 0.382 -1.464 1.00 0.00 C ATOM 242 CD1 PHE A 21 -0.333 1.682 -1.133 1.00 0.00 C ATOM 243 CD2 PHE A 21 -0.574 -0.726 -0.900 1.00 0.00 C ATOM 244 CE1 PHE A 21 -1.377 1.875 -0.215 1.00 0.00 C ATOM 245 CE2 PHE A 21 -1.608 -0.535 0.024 1.00 0.00 C ATOM 246 CZ PHE A 21 -2.008 0.764 0.364 1.00 0.00 C ATOM 0 H PHE A 21 2.834 -0.147 -4.086 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.062 -0.341 -4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.605 -0.838 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.979 0.874 -2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.162 2.531 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.270 -1.725 -1.175 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.693 2.875 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.096 -1.387 0.474 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.807 0.911 1.076 1.00 0.00 H new ATOM 256 N THR A 22 1.469 2.575 -4.025 1.00 0.00 N ATOM 257 CA THR A 22 1.356 3.992 -4.295 1.00 0.00 C ATOM 258 C THR A 22 1.004 4.282 -5.756 1.00 0.00 C ATOM 259 O THR A 22 0.362 5.295 -6.031 1.00 0.00 O ATOM 260 CB THR A 22 2.690 4.610 -3.886 1.00 0.00 C ATOM 261 OG1 THR A 22 2.526 5.980 -3.613 1.00 0.00 O ATOM 262 CG2 THR A 22 3.723 4.445 -4.998 1.00 0.00 C ATOM 0 H THR A 22 2.371 2.309 -3.630 1.00 0.00 H new ATOM 0 HA THR A 22 0.535 4.429 -3.727 1.00 0.00 H new ATOM 0 HB THR A 22 3.040 4.096 -2.991 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.739 6.317 -4.090 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.667 4.892 -4.687 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.873 3.385 -5.201 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.367 4.940 -5.901 1.00 0.00 H new ATOM 270 N SER A 23 1.398 3.420 -6.706 1.00 0.00 N ATOM 271 CA SER A 23 0.998 3.576 -8.091 1.00 0.00 C ATOM 272 C SER A 23 -0.398 3.014 -8.345 1.00 0.00 C ATOM 273 O SER A 23 -1.096 3.486 -9.241 1.00 0.00 O ATOM 274 CB SER A 23 2.012 2.828 -8.941 1.00 0.00 C ATOM 275 OG SER A 23 3.210 3.571 -9.033 1.00 0.00 O ATOM 0 H SER A 23 1.993 2.611 -6.529 1.00 0.00 H new ATOM 0 HA SER A 23 0.967 4.636 -8.342 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.214 1.850 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.605 2.654 -9.937 1.00 0.00 H new ATOM 0 HG SER A 23 3.899 3.151 -8.477 1.00 0.00 H new ATOM 281 N LEU A 24 -0.815 2.012 -7.567 1.00 0.00 N ATOM 282 CA LEU A 24 -2.136 1.414 -7.694 1.00 0.00 C ATOM 283 C LEU A 24 -3.201 2.212 -6.933 1.00 0.00 C ATOM 284 O LEU A 24 -4.392 2.045 -7.190 1.00 0.00 O ATOM 285 CB LEU A 24 -2.033 -0.032 -7.195 1.00 0.00 C ATOM 286 CG LEU A 24 -3.337 -0.829 -7.284 1.00 0.00 C ATOM 287 CD1 LEU A 24 -3.846 -0.907 -8.720 1.00 0.00 C ATOM 288 CD2 LEU A 24 -3.067 -2.243 -6.775 1.00 0.00 C ATOM 0 H LEU A 24 -0.242 1.596 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.457 1.428 -8.736 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.266 -0.548 -7.772 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.698 -0.022 -6.158 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.097 -0.330 -6.683 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.773 -1.480 -8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.030 0.099 -9.096 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.099 -1.397 -9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.984 -2.830 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.299 -2.711 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.725 -2.198 -5.741 1.00 0.00 H new ATOM 300 N THR A 25 -2.789 3.077 -6.000 1.00 0.00 N ATOM 301 CA THR A 25 -3.710 3.861 -5.179 1.00 0.00 C ATOM 302 C THR A 25 -3.480 5.350 -5.346 1.00 0.00 C ATOM 303 O THR A 25 -4.182 6.154 -4.730 1.00 0.00 O ATOM 304 CB THR A 25 -3.570 3.480 -3.705 1.00 0.00 C ATOM 305 OG1 THR A 25 -2.328 3.946 -3.229 1.00 0.00 O ATOM 306 CG2 THR A 25 -3.615 1.970 -3.498 1.00 0.00 C ATOM 0 H THR A 25 -1.805 3.251 -5.795 1.00 0.00 H new ATOM 0 HA THR A 25 -4.721 3.633 -5.517 1.00 0.00 H new ATOM 0 HB THR A 25 -4.404 3.930 -3.167 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.605 3.426 -3.638 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.512 1.745 -2.436 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.567 1.581 -3.861 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.799 1.503 -4.049 1.00 0.00 H new ATOM 314 N LYS A 26 -2.505 5.720 -6.179 1.00 0.00 N ATOM 315 CA LYS A 26 -2.326 7.094 -6.611 1.00 0.00 C ATOM 316 C LYS A 26 -1.997 8.039 -5.453 1.00 0.00 C ATOM 317 O LYS A 26 -2.033 9.258 -5.620 1.00 0.00 O ATOM 318 CB LYS A 26 -3.581 7.512 -7.396 1.00 0.00 C ATOM 319 CG LYS A 26 -4.118 6.373 -8.278 1.00 0.00 C ATOM 320 CD LYS A 26 -3.181 6.075 -9.452 1.00 0.00 C ATOM 321 CE LYS A 26 -3.685 4.854 -10.224 1.00 0.00 C ATOM 322 NZ LYS A 26 -4.951 5.140 -10.925 1.00 0.00 N ATOM 0 H LYS A 26 -1.822 5.071 -6.569 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.456 7.163 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.357 7.826 -6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.347 8.374 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.243 5.474 -7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.104 6.641 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.128 6.939 -10.115 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.171 5.893 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.931 4.543 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.830 4.022 -9.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.185 4.348 -11.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.713 5.264 -10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.849 6.011 -11.485 1.00 0.00 H new ATOM 336 N CYS A 27 -1.680 7.484 -4.279 1.00 0.00 N ATOM 337 CA CYS A 27 -1.342 8.260 -3.096 1.00 0.00 C ATOM 338 C CYS A 27 0.151 8.604 -3.070 1.00 0.00 C ATOM 339 O CYS A 27 0.862 8.402 -4.055 1.00 0.00 O ATOM 340 CB CYS A 27 -1.762 7.476 -1.852 1.00 0.00 C ATOM 341 SG CYS A 27 -0.697 6.024 -1.646 1.00 0.00 S ATOM 0 H CYS A 27 -1.652 6.476 -4.129 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.881 9.207 -3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.696 8.114 -0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.803 7.164 -1.943 1.00 0.00 H new ATOM 0 HG CYS A 27 -1.227 5.007 -2.259 1.00 0.00 H new ATOM 347 N ASP A 28 0.626 9.128 -1.937 1.00 0.00 N ATOM 348 CA ASP A 28 2.034 9.430 -1.733 1.00 0.00 C ATOM 349 C ASP A 28 2.741 8.195 -1.160 1.00 0.00 C ATOM 350 O ASP A 28 2.135 7.460 -0.379 1.00 0.00 O ATOM 351 CB ASP A 28 2.137 10.642 -0.805 1.00 0.00 C ATOM 352 CG ASP A 28 3.583 11.037 -0.545 1.00 0.00 C ATOM 353 OD1 ASP A 28 4.181 10.431 0.374 1.00 0.00 O ATOM 354 OD2 ASP A 28 4.082 11.935 -1.258 1.00 0.00 O ATOM 0 H ASP A 28 0.037 9.354 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 28 2.527 9.677 -2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.605 11.484 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.646 10.417 0.142 1.00 0.00 H new ATOM 359 N PRO A 29 4.008 7.940 -1.519 1.00 0.00 N ATOM 360 CA PRO A 29 4.752 6.770 -1.070 1.00 0.00 C ATOM 361 C PRO A 29 4.791 6.599 0.448 1.00 0.00 C ATOM 362 O PRO A 29 4.970 5.483 0.934 1.00 0.00 O ATOM 363 CB PRO A 29 6.166 6.966 -1.626 1.00 0.00 C ATOM 364 CG PRO A 29 5.938 7.810 -2.875 1.00 0.00 C ATOM 365 CD PRO A 29 4.811 8.734 -2.433 1.00 0.00 C ATOM 0 HA PRO A 29 4.266 5.862 -1.427 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.813 7.473 -0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.640 6.014 -1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.832 8.365 -3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.653 7.201 -3.733 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.202 9.626 -1.942 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.221 9.072 -3.285 1.00 0.00 H new ATOM 373 N LYS A 30 4.622 7.685 1.210 1.00 0.00 N ATOM 374 CA LYS A 30 4.657 7.622 2.666 1.00 0.00 C ATOM 375 C LYS A 30 3.309 7.190 3.224 1.00 0.00 C ATOM 376 O LYS A 30 3.215 6.779 4.379 1.00 0.00 O ATOM 377 CB LYS A 30 5.068 8.985 3.225 1.00 0.00 C ATOM 378 CG LYS A 30 6.416 9.372 2.626 1.00 0.00 C ATOM 379 CD LYS A 30 7.022 10.579 3.346 1.00 0.00 C ATOM 380 CE LYS A 30 6.115 11.799 3.193 1.00 0.00 C ATOM 381 NZ LYS A 30 6.703 12.989 3.840 1.00 0.00 N ATOM 0 H LYS A 30 4.459 8.620 0.836 1.00 0.00 H new ATOM 0 HA LYS A 30 5.392 6.877 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.316 9.736 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.135 8.943 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.101 8.526 2.691 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.293 9.602 1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.159 10.349 4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.008 10.797 2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.950 12.002 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.140 11.588 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.064 13.801 3.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.837 12.802 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.622 13.203 3.403 1.00 0.00 H new ATOM 395 N VAL A 31 2.262 7.280 2.406 1.00 0.00 N ATOM 396 CA VAL A 31 0.941 6.813 2.797 1.00 0.00 C ATOM 397 C VAL A 31 0.866 5.304 2.588 1.00 0.00 C ATOM 398 O VAL A 31 0.227 4.604 3.369 1.00 0.00 O ATOM 399 CB VAL A 31 -0.155 7.547 2.018 1.00 0.00 C ATOM 400 CG1 VAL A 31 -1.535 7.098 2.493 1.00 0.00 C ATOM 401 CG2 VAL A 31 -0.044 9.054 2.244 1.00 0.00 C ATOM 0 H VAL A 31 2.307 7.674 1.466 1.00 0.00 H new ATOM 0 HA VAL A 31 0.775 7.031 3.852 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.029 7.314 0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.304 7.628 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.643 6.025 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.644 7.320 3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.828 9.564 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.155 9.272 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.931 9.402 1.902 1.00 0.00 H new ATOM 411 N SER A 32 1.517 4.791 1.541 1.00 0.00 N ATOM 412 CA SER A 32 1.599 3.353 1.351 1.00 0.00 C ATOM 413 C SER A 32 2.309 2.744 2.555 1.00 0.00 C ATOM 414 O SER A 32 1.835 1.777 3.140 1.00 0.00 O ATOM 415 CB SER A 32 2.385 3.038 0.077 1.00 0.00 C ATOM 416 OG SER A 32 2.557 1.644 0.007 1.00 0.00 O ATOM 0 H SER A 32 1.986 5.346 0.825 1.00 0.00 H new ATOM 0 HA SER A 32 0.597 2.936 1.256 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.850 3.401 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.352 3.541 0.091 1.00 0.00 H new ATOM 0 HG SER A 32 1.710 1.222 -0.247 1.00 0.00 H new ATOM 422 N ARG A 33 3.454 3.331 2.917 1.00 0.00 N ATOM 423 CA ARG A 33 4.246 2.958 4.082 1.00 0.00 C ATOM 424 C ARG A 33 3.358 2.871 5.316 1.00 0.00 C ATOM 425 O ARG A 33 3.296 1.824 5.952 1.00 0.00 O ATOM 426 CB ARG A 33 5.338 4.021 4.220 1.00 0.00 C ATOM 427 CG ARG A 33 6.230 3.796 5.433 1.00 0.00 C ATOM 428 CD ARG A 33 7.377 4.805 5.423 1.00 0.00 C ATOM 429 NE ARG A 33 8.360 4.506 6.470 1.00 0.00 N ATOM 430 CZ ARG A 33 9.327 3.592 6.341 1.00 0.00 C ATOM 431 NH1 ARG A 33 9.462 2.905 5.213 1.00 0.00 N ATOM 432 NH2 ARG A 33 10.168 3.364 7.345 1.00 0.00 N ATOM 0 H ARG A 33 3.863 4.101 2.388 1.00 0.00 H new ATOM 0 HA ARG A 33 4.701 1.974 3.971 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.952 4.024 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.874 5.005 4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.648 3.901 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.626 2.781 5.422 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.866 4.794 4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.981 5.810 5.569 1.00 0.00 H new ATOM 0 HE ARG A 33 8.302 5.025 7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.825 3.072 4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.203 2.210 5.125 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.076 3.887 8.216 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.905 2.666 7.244 1.00 0.00 H new ATOM 446 N LYS A 34 2.667 3.952 5.667 1.00 0.00 N ATOM 447 CA LYS A 34 1.861 3.990 6.883 1.00 0.00 C ATOM 448 C LYS A 34 0.666 3.037 6.867 1.00 0.00 C ATOM 449 O LYS A 34 0.088 2.801 7.921 1.00 0.00 O ATOM 450 CB LYS A 34 1.373 5.417 7.092 1.00 0.00 C ATOM 451 CG LYS A 34 2.534 6.333 7.487 1.00 0.00 C ATOM 452 CD LYS A 34 2.111 7.801 7.467 1.00 0.00 C ATOM 453 CE LYS A 34 0.941 8.056 8.408 1.00 0.00 C ATOM 454 NZ LYS A 34 1.314 7.841 9.820 1.00 0.00 N ATOM 0 H LYS A 34 2.649 4.816 5.125 1.00 0.00 H new ATOM 0 HA LYS A 34 2.498 3.656 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.908 5.785 6.178 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.608 5.435 7.869 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.888 6.067 8.483 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.368 6.183 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.955 8.428 7.755 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.833 8.087 6.453 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.586 9.078 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.114 7.396 8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.523 8.122 10.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.531 6.835 9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.151 8.414 10.049 1.00 0.00 H new ATOM 468 N TYR A 35 0.282 2.483 5.712 1.00 0.00 N ATOM 469 CA TYR A 35 -0.791 1.489 5.655 1.00 0.00 C ATOM 470 C TYR A 35 -0.200 0.093 5.514 1.00 0.00 C ATOM 471 O TYR A 35 -0.874 -0.902 5.787 1.00 0.00 O ATOM 472 CB TYR A 35 -1.736 1.793 4.495 1.00 0.00 C ATOM 473 CG TYR A 35 -2.823 2.794 4.813 1.00 0.00 C ATOM 474 CD1 TYR A 35 -2.514 4.145 5.011 1.00 0.00 C ATOM 475 CD2 TYR A 35 -4.154 2.360 4.906 1.00 0.00 C ATOM 476 CE1 TYR A 35 -3.532 5.071 5.284 1.00 0.00 C ATOM 477 CE2 TYR A 35 -5.180 3.273 5.186 1.00 0.00 C ATOM 478 CZ TYR A 35 -4.868 4.636 5.373 1.00 0.00 C ATOM 479 OH TYR A 35 -5.856 5.534 5.645 1.00 0.00 O ATOM 0 H TYR A 35 0.698 2.706 4.808 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.363 1.533 6.582 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.150 2.167 3.655 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.201 0.863 4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.488 4.476 4.953 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.389 1.316 4.761 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.292 6.114 5.425 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.203 2.935 5.258 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.203 5.903 4.806 1.00 0.00 H new ATOM 489 N LEU A 36 1.062 0.008 5.089 1.00 0.00 N ATOM 490 CA LEU A 36 1.776 -1.255 5.027 1.00 0.00 C ATOM 491 C LEU A 36 2.199 -1.639 6.440 1.00 0.00 C ATOM 492 O LEU A 36 2.211 -2.816 6.783 1.00 0.00 O ATOM 493 CB LEU A 36 2.980 -1.099 4.094 1.00 0.00 C ATOM 494 CG LEU A 36 2.571 -1.182 2.618 1.00 0.00 C ATOM 495 CD1 LEU A 36 3.744 -0.739 1.752 1.00 0.00 C ATOM 496 CD2 LEU A 36 2.208 -2.611 2.212 1.00 0.00 C ATOM 0 H LEU A 36 1.610 0.812 4.781 1.00 0.00 H new ATOM 0 HA LEU A 36 1.144 -2.049 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.465 -0.141 4.284 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.712 -1.876 4.313 1.00 0.00 H new ATOM 0 HG LEU A 36 1.701 -0.540 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.462 -0.795 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.013 0.287 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.598 -1.392 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.924 -2.629 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.068 -3.263 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.373 -2.961 2.819 1.00 0.00 H new ATOM 508 N GLN A 37 2.541 -0.652 7.271 1.00 0.00 N ATOM 509 CA GLN A 37 2.922 -0.883 8.657 1.00 0.00 C ATOM 510 C GLN A 37 1.744 -1.389 9.491 1.00 0.00 C ATOM 511 O GLN A 37 1.937 -1.910 10.588 1.00 0.00 O ATOM 512 CB GLN A 37 3.461 0.415 9.237 1.00 0.00 C ATOM 513 CG GLN A 37 4.752 0.730 8.496 1.00 0.00 C ATOM 514 CD GLN A 37 5.446 1.947 9.064 1.00 0.00 C ATOM 515 OE1 GLN A 37 5.213 2.353 10.201 1.00 0.00 O ATOM 516 NE2 GLN A 37 6.314 2.545 8.266 1.00 0.00 N ATOM 0 H GLN A 37 2.560 0.330 6.997 1.00 0.00 H new ATOM 0 HA GLN A 37 3.690 -1.656 8.686 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.739 1.222 9.114 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.645 0.313 10.306 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.421 -0.129 8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.534 0.896 7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.481 2.179 7.329 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.817 3.372 8.588 1.00 0.00 H new ATOM 525 N ARG A 38 0.523 -1.234 8.966 1.00 0.00 N ATOM 526 CA ARG A 38 -0.703 -1.675 9.621 1.00 0.00 C ATOM 527 C ARG A 38 -1.022 -3.124 9.270 1.00 0.00 C ATOM 528 O ARG A 38 -1.911 -3.719 9.877 1.00 0.00 O ATOM 529 CB ARG A 38 -1.857 -0.784 9.158 1.00 0.00 C ATOM 530 CG ARG A 38 -1.711 0.640 9.692 1.00 0.00 C ATOM 531 CD ARG A 38 -2.812 1.557 9.154 1.00 0.00 C ATOM 532 NE ARG A 38 -4.139 0.931 9.239 1.00 0.00 N ATOM 533 CZ ARG A 38 -4.864 0.807 10.349 1.00 0.00 C ATOM 534 NH1 ARG A 38 -4.442 1.315 11.505 1.00 0.00 N ATOM 535 NH2 ARG A 38 -6.031 0.166 10.300 1.00 0.00 N ATOM 0 H ARG A 38 0.362 -0.792 8.061 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.568 -1.603 10.700 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.889 -0.764 8.069 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.803 -1.206 9.497 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.747 0.627 10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.736 1.037 9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.814 2.490 9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.597 1.812 8.116 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.538 0.561 8.376 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.550 1.809 11.550 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.010 1.211 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.362 -0.225 9.418 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.594 0.066 11.145 1.00 0.00 H new ATOM 549 N ASN A 39 -0.307 -3.688 8.293 1.00 0.00 N ATOM 550 CA ASN A 39 -0.614 -4.999 7.747 1.00 0.00 C ATOM 551 C ASN A 39 0.661 -5.793 7.452 1.00 0.00 C ATOM 552 O ASN A 39 0.701 -6.551 6.483 1.00 0.00 O ATOM 553 CB ASN A 39 -1.482 -4.829 6.495 1.00 0.00 C ATOM 554 CG ASN A 39 -2.799 -4.132 6.810 1.00 0.00 C ATOM 555 OD1 ASN A 39 -3.795 -4.784 7.109 1.00 0.00 O ATOM 556 ND2 ASN A 39 -2.817 -2.803 6.746 1.00 0.00 N ATOM 0 H ASN A 39 0.502 -3.241 7.862 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.171 -5.575 8.486 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.935 -4.252 5.749 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.684 -5.807 6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.677 -2.294 6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.970 -2.293 6.494 1.00 0.00 H new ATOM 563 N HIS A 40 1.696 -5.613 8.280 1.00 0.00 N ATOM 564 CA HIS A 40 2.968 -6.323 8.148 1.00 0.00 C ATOM 565 C HIS A 40 3.487 -6.315 6.710 1.00 0.00 C ATOM 566 O HIS A 40 4.011 -7.312 6.218 1.00 0.00 O ATOM 567 CB HIS A 40 2.905 -7.720 8.787 1.00 0.00 C ATOM 568 CG HIS A 40 1.670 -8.527 8.500 1.00 0.00 C ATOM 569 ND1 HIS A 40 0.397 -8.303 9.035 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.627 -9.612 7.684 1.00 0.00 C ATOM 571 CE1 HIS A 40 -0.381 -9.266 8.513 1.00 0.00 C ATOM 572 NE2 HIS A 40 0.331 -10.068 7.703 1.00 0.00 N ATOM 0 H HIS A 40 1.672 -4.964 9.067 1.00 0.00 H new ATOM 0 HA HIS A 40 3.717 -5.774 8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.772 -8.289 8.451 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.997 -7.607 9.867 1.00 0.00 H new ATOM 0 HD1 HIS A 40 0.119 -7.566 9.683 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.451 -10.034 7.128 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -1.435 -9.380 8.717 1.00 0.00 H new ATOM 580 N TRP A 41 3.331 -5.167 6.047 1.00 0.00 N ATOM 581 CA TRP A 41 3.751 -4.918 4.675 1.00 0.00 C ATOM 582 C TRP A 41 3.238 -5.967 3.690 1.00 0.00 C ATOM 583 O TRP A 41 3.935 -6.336 2.746 1.00 0.00 O ATOM 584 CB TRP A 41 5.258 -4.673 4.586 1.00 0.00 C ATOM 585 CG TRP A 41 5.751 -3.405 5.207 1.00 0.00 C ATOM 586 CD1 TRP A 41 5.613 -3.028 6.496 1.00 0.00 C ATOM 587 CD2 TRP A 41 6.470 -2.313 4.555 1.00 0.00 C ATOM 588 NE1 TRP A 41 6.228 -1.814 6.691 1.00 0.00 N ATOM 589 CE2 TRP A 41 6.761 -1.314 5.524 1.00 0.00 C ATOM 590 CE3 TRP A 41 6.887 -2.056 3.237 1.00 0.00 C ATOM 591 CZ2 TRP A 41 7.444 -0.136 5.213 1.00 0.00 C ATOM 592 CZ3 TRP A 41 7.513 -0.853 2.906 1.00 0.00 C ATOM 593 CH2 TRP A 41 7.834 0.087 3.888 1.00 0.00 C ATOM 0 H TRP A 41 2.889 -4.353 6.474 1.00 0.00 H new ATOM 0 HA TRP A 41 3.272 -3.992 4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.771 -5.510 5.059 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.546 -4.676 3.535 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.098 -3.594 7.258 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.283 -1.340 7.593 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.721 -2.799 2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.667 0.589 5.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 7.753 -0.646 1.874 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.380 0.981 3.626 1.00 0.00 H new ATOM 604 N ASN A 42 2.011 -6.448 3.909 1.00 0.00 N ATOM 605 CA ASN A 42 1.337 -7.327 2.976 1.00 0.00 C ATOM 606 C ASN A 42 0.522 -6.435 2.060 1.00 0.00 C ATOM 607 O ASN A 42 -0.347 -5.706 2.536 1.00 0.00 O ATOM 608 CB ASN A 42 0.418 -8.280 3.733 1.00 0.00 C ATOM 609 CG ASN A 42 -0.134 -9.345 2.798 1.00 0.00 C ATOM 610 OD1 ASN A 42 -1.006 -9.060 1.983 1.00 0.00 O ATOM 611 ND2 ASN A 42 0.374 -10.567 2.907 1.00 0.00 N ATOM 0 H ASN A 42 1.464 -6.233 4.743 1.00 0.00 H new ATOM 0 HA ASN A 42 2.049 -7.928 2.410 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.966 -8.752 4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.403 -7.722 4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.040 -11.314 2.298 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.098 -10.758 3.599 1.00 0.00 H new ATOM 618 N ILE A 43 0.779 -6.473 0.755 1.00 0.00 N ATOM 619 CA ILE A 43 0.166 -5.489 -0.111 1.00 0.00 C ATOM 620 C ILE A 43 -1.317 -5.784 -0.337 1.00 0.00 C ATOM 621 O ILE A 43 -2.057 -4.896 -0.748 1.00 0.00 O ATOM 622 CB ILE A 43 0.957 -5.394 -1.421 1.00 0.00 C ATOM 623 CG1 ILE A 43 0.777 -3.995 -2.016 1.00 0.00 C ATOM 624 CG2 ILE A 43 0.495 -6.471 -2.402 1.00 0.00 C ATOM 625 CD1 ILE A 43 1.514 -3.834 -3.341 1.00 0.00 C ATOM 0 H ILE A 43 1.386 -7.151 0.293 1.00 0.00 H new ATOM 0 HA ILE A 43 0.203 -4.514 0.375 1.00 0.00 H new ATOM 0 HB ILE A 43 2.016 -5.561 -1.222 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.285 -3.800 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.140 -3.251 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.066 -6.390 -3.327 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.654 -7.456 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.565 -6.336 -2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.357 -2.826 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.580 -4.002 -3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.133 -4.559 -4.060 1.00 0.00 H new ATOM 637 N ASN A 44 -1.770 -7.013 -0.076 1.00 0.00 N ATOM 638 CA ASN A 44 -3.153 -7.373 -0.343 1.00 0.00 C ATOM 639 C ASN A 44 -3.994 -6.945 0.847 1.00 0.00 C ATOM 640 O ASN A 44 -5.091 -6.407 0.695 1.00 0.00 O ATOM 641 CB ASN A 44 -3.252 -8.883 -0.571 1.00 0.00 C ATOM 642 CG ASN A 44 -4.706 -9.319 -0.639 1.00 0.00 C ATOM 643 OD1 ASN A 44 -5.192 -10.023 0.241 1.00 0.00 O ATOM 644 ND2 ASN A 44 -5.413 -8.903 -1.682 1.00 0.00 N ATOM 0 H ASN A 44 -1.202 -7.764 0.316 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.518 -6.872 -1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.743 -9.151 -1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.745 -9.412 0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.394 -9.168 -1.771 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.975 -8.319 -2.394 1.00 0.00 H new ATOM 651 N TYR A 45 -3.457 -7.189 2.037 1.00 0.00 N ATOM 652 CA TYR A 45 -4.086 -6.828 3.290 1.00 0.00 C ATOM 653 C TYR A 45 -4.075 -5.313 3.459 1.00 0.00 C ATOM 654 O TYR A 45 -5.034 -4.731 3.965 1.00 0.00 O ATOM 655 CB TYR A 45 -3.266 -7.464 4.407 1.00 0.00 C ATOM 656 CG TYR A 45 -3.132 -8.974 4.370 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.913 -9.760 3.508 1.00 0.00 C ATOM 658 CD2 TYR A 45 -2.196 -9.587 5.217 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.742 -11.151 3.473 1.00 0.00 C ATOM 660 CE2 TYR A 45 -2.023 -10.979 5.193 1.00 0.00 C ATOM 661 CZ TYR A 45 -2.798 -11.766 4.318 1.00 0.00 C ATOM 662 OH TYR A 45 -2.637 -13.119 4.286 1.00 0.00 O ATOM 0 H TYR A 45 -2.556 -7.652 2.154 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.120 -7.173 3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.266 -7.032 4.385 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.713 -7.184 5.361 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.648 -9.292 2.870 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.606 -8.984 5.891 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -4.334 -11.751 2.798 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.298 -11.446 5.843 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.946 -13.382 4.929 1.00 0.00 H new ATOM 672 N ALA A 46 -2.983 -4.671 3.035 1.00 0.00 N ATOM 673 CA ALA A 46 -2.823 -3.235 3.159 1.00 0.00 C ATOM 674 C ALA A 46 -3.699 -2.489 2.157 1.00 0.00 C ATOM 675 O ALA A 46 -4.070 -1.344 2.405 1.00 0.00 O ATOM 676 CB ALA A 46 -1.346 -2.897 2.959 1.00 0.00 C ATOM 0 H ALA A 46 -2.190 -5.140 2.597 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.143 -2.917 4.151 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.204 -1.820 3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.750 -3.406 3.717 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.029 -3.224 1.969 1.00 0.00 H new ATOM 682 N LEU A 47 -4.043 -3.122 1.030 1.00 0.00 N ATOM 683 CA LEU A 47 -4.914 -2.482 0.049 1.00 0.00 C ATOM 684 C LEU A 47 -6.362 -2.531 0.517 1.00 0.00 C ATOM 685 O LEU A 47 -7.124 -1.608 0.245 1.00 0.00 O ATOM 686 CB LEU A 47 -4.768 -3.166 -1.317 1.00 0.00 C ATOM 687 CG LEU A 47 -3.531 -2.679 -2.083 1.00 0.00 C ATOM 688 CD1 LEU A 47 -3.325 -3.563 -3.314 1.00 0.00 C ATOM 689 CD2 LEU A 47 -3.701 -1.238 -2.553 1.00 0.00 C ATOM 0 H LEU A 47 -3.735 -4.062 0.780 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.619 -1.438 -0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.704 -4.245 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.660 -2.975 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.674 -2.733 -1.411 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.447 -3.223 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.178 -4.596 -2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.203 -3.501 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.807 -0.923 -3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.566 -1.170 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.851 -0.589 -1.690 1.00 0.00 H new ATOM 701 N ASN A 48 -6.759 -3.593 1.226 1.00 0.00 N ATOM 702 CA ASN A 48 -8.117 -3.684 1.735 1.00 0.00 C ATOM 703 C ASN A 48 -8.310 -2.704 2.892 1.00 0.00 C ATOM 704 O ASN A 48 -9.392 -2.143 3.053 1.00 0.00 O ATOM 705 CB ASN A 48 -8.410 -5.122 2.172 1.00 0.00 C ATOM 706 CG ASN A 48 -8.808 -6.000 0.993 1.00 0.00 C ATOM 707 OD1 ASN A 48 -9.995 -6.214 0.751 1.00 0.00 O ATOM 708 ND2 ASN A 48 -7.835 -6.513 0.248 1.00 0.00 N ATOM 0 H ASN A 48 -6.163 -4.388 1.454 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.820 -3.416 0.946 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.528 -5.542 2.657 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.211 -5.121 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.063 -7.104 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.860 -6.316 0.476 1.00 0.00 H new ATOM 715 N ASP A 49 -7.267 -2.493 3.698 1.00 0.00 N ATOM 716 CA ASP A 49 -7.329 -1.553 4.806 1.00 0.00 C ATOM 717 C ASP A 49 -7.384 -0.121 4.280 1.00 0.00 C ATOM 718 O ASP A 49 -8.088 0.716 4.833 1.00 0.00 O ATOM 719 CB ASP A 49 -6.106 -1.777 5.695 1.00 0.00 C ATOM 720 CG ASP A 49 -6.100 -0.843 6.901 1.00 0.00 C ATOM 721 OD1 ASP A 49 -6.917 -1.071 7.819 1.00 0.00 O ATOM 722 OD2 ASP A 49 -5.274 0.094 6.895 1.00 0.00 O ATOM 0 H ASP A 49 -6.368 -2.965 3.599 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.232 -1.716 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.091 -2.812 6.037 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.199 -1.621 5.111 1.00 0.00 H new ATOM 727 N TYR A 50 -6.651 0.178 3.205 1.00 0.00 N ATOM 728 CA TYR A 50 -6.682 1.492 2.593 1.00 0.00 C ATOM 729 C TYR A 50 -8.016 1.758 1.911 1.00 0.00 C ATOM 730 O TYR A 50 -8.546 2.860 2.029 1.00 0.00 O ATOM 731 CB TYR A 50 -5.517 1.583 1.615 1.00 0.00 C ATOM 732 CG TYR A 50 -5.371 2.931 0.953 1.00 0.00 C ATOM 733 CD1 TYR A 50 -6.090 3.202 -0.218 1.00 0.00 C ATOM 734 CD2 TYR A 50 -4.521 3.905 1.502 1.00 0.00 C ATOM 735 CE1 TYR A 50 -5.977 4.453 -0.838 1.00 0.00 C ATOM 736 CE2 TYR A 50 -4.392 5.155 0.881 1.00 0.00 C ATOM 737 CZ TYR A 50 -5.128 5.439 -0.290 1.00 0.00 C ATOM 738 OH TYR A 50 -5.018 6.660 -0.885 1.00 0.00 O ATOM 0 H TYR A 50 -6.027 -0.484 2.743 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.578 2.261 3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.593 1.348 2.144 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.644 0.823 0.844 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.732 2.445 -0.644 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.966 3.691 2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -6.540 4.663 -1.736 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.730 5.900 1.298 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.392 7.217 -0.376 1.00 0.00 H new ATOM 748 N TYR A 51 -8.566 0.766 1.206 1.00 0.00 N ATOM 749 CA TYR A 51 -9.872 0.895 0.576 1.00 0.00 C ATOM 750 C TYR A 51 -10.969 0.941 1.635 1.00 0.00 C ATOM 751 O TYR A 51 -12.117 1.255 1.324 1.00 0.00 O ATOM 752 CB TYR A 51 -10.102 -0.269 -0.391 1.00 0.00 C ATOM 753 CG TYR A 51 -9.154 -0.344 -1.571 1.00 0.00 C ATOM 754 CD1 TYR A 51 -8.405 0.774 -1.966 1.00 0.00 C ATOM 755 CD2 TYR A 51 -9.028 -1.550 -2.275 1.00 0.00 C ATOM 756 CE1 TYR A 51 -7.542 0.695 -3.066 1.00 0.00 C ATOM 757 CE2 TYR A 51 -8.164 -1.643 -3.376 1.00 0.00 C ATOM 758 CZ TYR A 51 -7.420 -0.516 -3.777 1.00 0.00 C ATOM 759 OH TYR A 51 -6.583 -0.597 -4.851 1.00 0.00 O ATOM 0 H TYR A 51 -8.119 -0.139 1.060 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.904 1.827 0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -10.029 -1.201 0.169 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.121 -0.204 -0.772 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.494 1.701 -1.419 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.600 -2.413 -1.968 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.971 1.560 -3.369 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.070 -2.575 -3.914 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.617 -1.502 -5.225 1.00 0.00 H new ATOM 769 N ASP A 52 -10.617 0.631 2.885 1.00 0.00 N ATOM 770 CA ASP A 52 -11.545 0.719 4.006 1.00 0.00 C ATOM 771 C ASP A 52 -11.495 2.107 4.647 1.00 0.00 C ATOM 772 O ASP A 52 -12.307 2.416 5.520 1.00 0.00 O ATOM 773 CB ASP A 52 -11.179 -0.365 5.019 1.00 0.00 C ATOM 774 CG ASP A 52 -12.139 -0.401 6.204 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.335 -0.694 5.978 1.00 0.00 O ATOM 776 OD2 ASP A 52 -11.662 -0.133 7.330 1.00 0.00 O ATOM 0 H ASP A 52 -9.683 0.313 3.144 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.565 0.564 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.180 -1.336 4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.165 -0.193 5.381 1.00 0.00 H new ATOM 781 N LYS A 53 -10.543 2.945 4.223 1.00 0.00 N ATOM 782 CA LYS A 53 -10.267 4.229 4.856 1.00 0.00 C ATOM 783 C LYS A 53 -10.546 5.428 3.951 1.00 0.00 C ATOM 784 O LYS A 53 -10.547 6.560 4.428 1.00 0.00 O ATOM 785 CB LYS A 53 -8.802 4.222 5.318 1.00 0.00 C ATOM 786 CG LYS A 53 -8.689 4.277 6.842 1.00 0.00 C ATOM 787 CD LYS A 53 -9.318 3.072 7.547 1.00 0.00 C ATOM 788 CE LYS A 53 -8.356 1.889 7.544 1.00 0.00 C ATOM 789 NZ LYS A 53 -9.020 0.677 8.063 1.00 0.00 N ATOM 0 H LYS A 53 -9.941 2.745 3.425 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.945 4.346 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.308 3.323 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.279 5.074 4.883 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.636 4.340 7.118 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.168 5.188 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.575 3.337 8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.246 2.795 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.997 1.708 6.531 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.483 2.122 8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.419 -0.152 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.174 0.777 9.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.936 0.552 7.586 1.00 0.00 H new ATOM 803 N GLU A 54 -10.783 5.208 2.657 1.00 0.00 N ATOM 804 CA GLU A 54 -11.059 6.291 1.728 1.00 0.00 C ATOM 805 C GLU A 54 -12.390 6.973 2.037 1.00 0.00 C ATOM 806 O GLU A 54 -12.612 8.111 1.622 1.00 0.00 O ATOM 807 CB GLU A 54 -11.104 5.721 0.314 1.00 0.00 C ATOM 808 CG GLU A 54 -9.839 4.937 -0.019 1.00 0.00 C ATOM 809 CD GLU A 54 -9.776 4.630 -1.513 1.00 0.00 C ATOM 810 OE1 GLU A 54 -10.410 3.636 -1.929 1.00 0.00 O ATOM 811 OE2 GLU A 54 -9.093 5.392 -2.233 1.00 0.00 O ATOM 0 H GLU A 54 -10.788 4.281 2.232 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.270 7.037 1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.973 5.071 0.211 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.228 6.533 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.961 5.510 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.820 4.008 0.550 1.00 0.00 H new ATOM 818 N ILE A 55 -13.275 6.285 2.767 1.00 0.00 N ATOM 819 CA ILE A 55 -14.588 6.808 3.111 1.00 0.00 C ATOM 820 C ILE A 55 -14.469 7.882 4.195 1.00 0.00 C ATOM 821 O ILE A 55 -15.381 8.689 4.374 1.00 0.00 O ATOM 822 CB ILE A 55 -15.492 5.646 3.560 1.00 0.00 C ATOM 823 CG1 ILE A 55 -15.513 4.515 2.519 1.00 0.00 C ATOM 824 CG2 ILE A 55 -16.921 6.136 3.811 1.00 0.00 C ATOM 825 CD1 ILE A 55 -15.992 4.969 1.137 1.00 0.00 C ATOM 0 H ILE A 55 -13.094 5.350 3.133 1.00 0.00 H new ATOM 0 HA ILE A 55 -15.038 7.280 2.238 1.00 0.00 H new ATOM 0 HB ILE A 55 -15.077 5.255 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.511 4.096 2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -16.162 3.715 2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -17.543 5.298 4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -16.913 6.897 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -17.326 6.562 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -15.982 4.121 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -17.006 5.361 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -15.329 5.748 0.760 1.00 0.00 H new ATOM 837 N GLY A 56 -13.347 7.896 4.922 1.00 0.00 N ATOM 838 CA GLY A 56 -13.113 8.855 5.993 1.00 0.00 C ATOM 839 C GLY A 56 -12.623 10.203 5.464 1.00 0.00 C ATOM 840 O GLY A 56 -12.444 11.139 6.241 1.00 0.00 O ATOM 0 H GLY A 56 -12.579 7.240 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.035 9.001 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.377 8.450 6.687 1.00 0.00 H new ATOM 844 N THR A 57 -12.402 10.305 4.148 1.00 0.00 N ATOM 845 CA THR A 57 -11.903 11.522 3.520 1.00 0.00 C ATOM 846 C THR A 57 -12.530 11.704 2.133 1.00 0.00 C ATOM 847 O THR A 57 -11.964 12.341 1.247 1.00 0.00 O ATOM 848 CB THR A 57 -10.370 11.487 3.494 1.00 0.00 C ATOM 849 OG1 THR A 57 -9.843 12.714 3.042 1.00 0.00 O ATOM 850 CG2 THR A 57 -9.861 10.361 2.595 1.00 0.00 C ATOM 0 H THR A 57 -12.566 9.541 3.492 1.00 0.00 H new ATOM 0 HA THR A 57 -12.197 12.396 4.101 1.00 0.00 H new ATOM 0 HB THR A 57 -10.035 11.308 4.516 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.301 12.984 2.219 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.771 10.360 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.225 9.404 2.969 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.223 10.515 1.579 1.00 0.00 H new ATOM 858 N PHE A 58 -13.718 11.126 1.952 1.00 0.00 N ATOM 859 CA PHE A 58 -14.385 11.085 0.659 1.00 0.00 C ATOM 860 C PHE A 58 -15.069 12.404 0.326 1.00 0.00 C ATOM 861 O PHE A 58 -15.056 12.836 -0.826 1.00 0.00 O ATOM 862 CB PHE A 58 -15.404 9.954 0.705 1.00 0.00 C ATOM 863 CG PHE A 58 -15.765 9.396 -0.650 1.00 0.00 C ATOM 864 CD1 PHE A 58 -16.815 9.960 -1.390 1.00 0.00 C ATOM 865 CD2 PHE A 58 -15.045 8.312 -1.168 1.00 0.00 C ATOM 866 CE1 PHE A 58 -17.140 9.441 -2.650 1.00 0.00 C ATOM 867 CE2 PHE A 58 -15.373 7.788 -2.427 1.00 0.00 C ATOM 868 CZ PHE A 58 -16.421 8.354 -3.167 1.00 0.00 C ATOM 0 H PHE A 58 -14.242 10.674 2.701 1.00 0.00 H new ATOM 0 HA PHE A 58 -13.646 10.915 -0.124 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -15.010 9.149 1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -16.310 10.315 1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -17.372 10.794 -0.989 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -14.237 7.879 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -17.944 9.878 -3.223 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -14.820 6.951 -2.826 1.00 0.00 H new ATOM 0 HZ PHE A 58 -16.675 7.952 -4.137 1.00 0.00 H new ATOM 878 N THR A 59 -15.667 13.039 1.337 1.00 0.00 N ATOM 879 CA THR A 59 -16.309 14.334 1.206 1.00 0.00 C ATOM 880 C THR A 59 -15.492 15.395 1.924 1.00 0.00 C ATOM 881 O THR A 59 -16.003 16.443 2.310 1.00 0.00 O ATOM 882 CB THR A 59 -17.744 14.259 1.720 1.00 0.00 C ATOM 883 OG1 THR A 59 -17.765 13.752 3.038 1.00 0.00 O ATOM 884 CG2 THR A 59 -18.585 13.353 0.823 1.00 0.00 C ATOM 0 H THR A 59 -15.715 12.656 2.281 1.00 0.00 H new ATOM 0 HA THR A 59 -16.355 14.618 0.155 1.00 0.00 H new ATOM 0 HB THR A 59 -18.162 15.266 1.710 1.00 0.00 H new ATOM 0 HG1 THR A 59 -18.690 13.710 3.358 1.00 0.00 H new ATOM 0 HG21 THR A 59 -19.606 13.310 1.203 1.00 0.00 H new ATOM 0 HG22 THR A 59 -18.592 13.751 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 59 -18.158 12.350 0.816 1.00 0.00 H new ATOM 892 N ASP A 60 -14.206 15.096 2.098 1.00 0.00 N ATOM 893 CA ASP A 60 -13.260 15.978 2.770 1.00 0.00 C ATOM 894 C ASP A 60 -12.310 16.637 1.787 1.00 0.00 C ATOM 895 O ASP A 60 -11.403 17.378 2.162 1.00 0.00 O ATOM 896 CB ASP A 60 -12.523 15.182 3.837 1.00 0.00 C ATOM 897 CG ASP A 60 -11.784 16.082 4.825 1.00 0.00 C ATOM 898 OD1 ASP A 60 -12.439 16.994 5.376 1.00 0.00 O ATOM 899 OD2 ASP A 60 -10.571 15.848 5.022 1.00 0.00 O ATOM 0 H ASP A 60 -13.789 14.224 1.772 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.802 16.793 3.249 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.235 14.559 4.379 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.811 14.510 3.358 1.00 0.00 H new ATOM 904 N GLU A 61 -12.546 16.343 0.515 1.00 0.00 N ATOM 905 CA GLU A 61 -11.789 16.851 -0.608 1.00 0.00 C ATOM 906 C GLU A 61 -12.544 17.953 -1.340 1.00 0.00 C ATOM 907 O GLU A 61 -12.195 18.342 -2.455 1.00 0.00 O ATOM 908 CB GLU A 61 -11.478 15.673 -1.517 1.00 0.00 C ATOM 909 CG GLU A 61 -10.448 14.747 -0.878 1.00 0.00 C ATOM 910 CD GLU A 61 -9.059 15.382 -0.860 1.00 0.00 C ATOM 911 OE1 GLU A 61 -8.414 15.389 -1.931 1.00 0.00 O ATOM 912 OE2 GLU A 61 -8.647 15.854 0.223 1.00 0.00 O ATOM 0 H GLU A 61 -13.302 15.719 0.232 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.862 17.309 -0.264 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.393 15.118 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.102 16.036 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.754 14.509 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.412 13.807 -1.428 1.00 0.00 H new ATOM 919 N VAL A 62 -13.591 18.446 -0.682 1.00 0.00 N ATOM 920 CA VAL A 62 -14.480 19.484 -1.187 1.00 0.00 C ATOM 921 C VAL A 62 -14.917 20.416 -0.059 1.00 0.00 C ATOM 922 O VAL A 62 -15.047 21.625 -0.338 1.00 0.00 O ATOM 923 CB VAL A 62 -15.672 18.835 -1.903 1.00 0.00 C ATOM 924 CG1 VAL A 62 -16.516 17.980 -0.955 1.00 0.00 C ATOM 925 CG2 VAL A 62 -16.557 19.909 -2.538 1.00 0.00 C ATOM 0 H VAL A 62 -13.851 18.121 0.249 1.00 0.00 H new ATOM 0 HA VAL A 62 -13.949 20.100 -1.913 1.00 0.00 H new ATOM 0 HB VAL A 62 -15.265 18.183 -2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -17.348 17.541 -1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -15.899 17.186 -0.535 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -16.903 18.604 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -17.399 19.435 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -16.929 20.579 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -15.975 20.479 -3.262 1.00 0.00 H new TER 935 VAL A 62