USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 456 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 23 ASN : amide:sc= 0.072 X(o=0.6,f=0.25) USER MOD Set 1.2: A 25 THR OG1 : rot -143:sc= 0.532 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= 0.808 USER MOD Set 2.2: A 16 THR OG1 : rot -81:sc= 0.775 USER MOD Set 3.1: A 3 THR OG1 : rot -68:sc= 2.26 USER MOD Set 3.2: A 5 LYS NZ :NH3+ 154:sc= 0.824 (180deg=-1.35!) USER MOD Set 4.1: A 1 MET CE :methyl 180:sc=-0.00423 (180deg=-0.00423) USER MOD Set 4.2: A 1 MET N :NH3+ 177:sc= 1.12 (180deg=1.12) USER MOD Set 4.3: A 44 HIS : no HE2:sc= -1.13 K(o=-0.015,f=-4.6!) USER MOD Single : A 9 LYS NZ :NH3+ -168:sc= -0.0109 (180deg=-0.209) USER MOD Single : A 12 ASN : amide:sc= -0.245 K(o=-0.25,f=-1.5) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 37:sc= 1.58 USER MOD Single : A 19 SER OG : rot -26:sc= 0.581 USER MOD Single : A 20 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.11) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 77:sc= 0.546 USER MOD Single : A 34 ASN : amide:sc= -0.444 K(o=-0.44,f=-8.5!) USER MOD Single : A 41 LYS NZ :NH3+ -146:sc= 0.318 (180deg=-0.657) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 1.26 (180deg=1.26) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.141 23.281 2.030 1.00 0.00 N ATOM 2 CA MET A 1 -1.553 22.214 1.103 1.00 0.00 C ATOM 3 C MET A 1 -0.451 21.957 0.079 1.00 0.00 C ATOM 4 O MET A 1 0.113 20.864 0.037 1.00 0.00 O ATOM 5 CB MET A 1 -2.864 22.580 0.395 1.00 0.00 C ATOM 6 CG MET A 1 -4.016 22.619 1.407 1.00 0.00 C ATOM 7 SD MET A 1 -5.662 22.580 0.652 1.00 0.00 S ATOM 8 CE MET A 1 -5.650 24.185 -0.182 1.00 0.00 C ATOM 0 H1 MET A 1 -1.917 23.485 2.692 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.303 22.973 2.563 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.912 24.140 1.491 1.00 0.00 H new ATOM 0 HA MET A 1 -1.722 21.304 1.679 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.765 23.550 -0.092 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.080 21.851 -0.386 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.919 21.772 2.086 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.926 23.522 2.010 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.596 24.331 -0.704 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.516 24.977 0.555 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.831 24.216 -0.900 1.00 0.00 H new ATOM 20 N ALA A 2 -0.147 22.968 -0.744 1.00 0.00 N ATOM 21 CA ALA A 2 0.885 22.851 -1.762 1.00 0.00 C ATOM 22 C ALA A 2 2.242 22.602 -1.106 1.00 0.00 C ATOM 23 O ALA A 2 2.460 22.989 0.046 1.00 0.00 O ATOM 24 CB ALA A 2 0.920 24.133 -2.591 1.00 0.00 C ATOM 0 H ALA A 2 -0.608 23.878 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 2 0.660 22.008 -2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.692 24.051 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.048 24.285 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.141 24.980 -1.942 1.00 0.00 H new ATOM 30 N THR A 3 3.148 21.953 -1.843 1.00 0.00 N ATOM 31 CA THR A 3 4.483 21.645 -1.352 1.00 0.00 C ATOM 32 C THR A 3 5.507 22.482 -2.113 1.00 0.00 C ATOM 33 O THR A 3 5.153 23.200 -3.048 1.00 0.00 O ATOM 34 CB THR A 3 4.764 20.146 -1.532 1.00 0.00 C ATOM 35 OG1 THR A 3 5.000 19.867 -2.893 1.00 0.00 O ATOM 36 CG2 THR A 3 3.565 19.325 -1.047 1.00 0.00 C ATOM 0 H THR A 3 2.972 21.629 -2.794 1.00 0.00 H new ATOM 0 HA THR A 3 4.553 21.885 -0.291 1.00 0.00 H new ATOM 0 HB THR A 3 5.643 19.879 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.173 19.999 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.774 18.263 -1.179 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.386 19.531 0.008 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.681 19.595 -1.625 1.00 0.00 H new ATOM 44 N ILE A 4 6.782 22.386 -1.714 1.00 0.00 N ATOM 45 CA ILE A 4 7.852 23.125 -2.369 1.00 0.00 C ATOM 46 C ILE A 4 7.877 22.788 -3.859 1.00 0.00 C ATOM 47 O ILE A 4 8.228 23.628 -4.676 1.00 0.00 O ATOM 48 CB ILE A 4 9.198 22.792 -1.695 1.00 0.00 C ATOM 49 CG1 ILE A 4 10.296 23.708 -2.262 1.00 0.00 C ATOM 50 CG2 ILE A 4 9.568 21.321 -1.939 1.00 0.00 C ATOM 51 CD1 ILE A 4 11.589 23.536 -1.463 1.00 0.00 C ATOM 0 H ILE A 4 7.091 21.800 -0.938 1.00 0.00 H new ATOM 0 HA ILE A 4 7.677 24.196 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 4 9.107 22.955 -0.621 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.473 23.470 -3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.970 24.747 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 4 10.521 21.101 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.793 20.677 -1.523 1.00 0.00 H new ATOM 0 HG23 ILE A 4 9.653 21.140 -3.011 1.00 0.00 H new ATOM 0 HD11 ILE A 4 12.360 24.189 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 4 11.410 23.797 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 4 11.921 22.500 -1.526 1.00 0.00 H new ATOM 63 N LYS A 5 7.497 21.553 -4.204 1.00 0.00 N ATOM 64 CA LYS A 5 7.474 21.099 -5.582 1.00 0.00 C ATOM 65 C LYS A 5 6.533 21.971 -6.406 1.00 0.00 C ATOM 66 O LYS A 5 6.965 22.683 -7.313 1.00 0.00 O ATOM 67 CB LYS A 5 7.003 19.641 -5.616 1.00 0.00 C ATOM 68 CG LYS A 5 7.944 18.765 -4.778 1.00 0.00 C ATOM 69 CD LYS A 5 7.650 17.276 -5.030 1.00 0.00 C ATOM 70 CE LYS A 5 6.631 16.745 -4.010 1.00 0.00 C ATOM 71 NZ LYS A 5 5.312 17.382 -4.175 1.00 0.00 N ATOM 0 H LYS A 5 7.199 20.848 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 5 8.475 21.172 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.986 19.570 -5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.979 19.282 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.981 18.986 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.819 18.994 -3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.264 17.142 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.574 16.701 -4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.531 15.666 -4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.999 16.926 -3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.571 16.744 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.287 18.273 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.146 17.580 -5.182 1.00 0.00 H new ATOM 85 N ASP A 6 5.241 21.895 -6.083 1.00 0.00 N ATOM 86 CA ASP A 6 4.202 22.637 -6.783 1.00 0.00 C ATOM 87 C ASP A 6 4.522 24.131 -6.788 1.00 0.00 C ATOM 88 O ASP A 6 4.502 24.768 -7.840 1.00 0.00 O ATOM 89 CB ASP A 6 2.847 22.392 -6.100 1.00 0.00 C ATOM 90 CG ASP A 6 2.698 20.941 -5.659 1.00 0.00 C ATOM 91 OD1 ASP A 6 2.311 20.121 -6.516 1.00 0.00 O ATOM 92 OD2 ASP A 6 2.978 20.682 -4.464 1.00 0.00 O ATOM 0 H ASP A 6 4.888 21.313 -5.324 1.00 0.00 H new ATOM 0 HA ASP A 6 4.156 22.291 -7.816 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.751 23.048 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.040 22.649 -6.787 1.00 0.00 H new ATOM 97 N VAL A 7 4.808 24.681 -5.605 1.00 0.00 N ATOM 98 CA VAL A 7 5.095 26.099 -5.447 1.00 0.00 C ATOM 99 C VAL A 7 6.254 26.520 -6.356 1.00 0.00 C ATOM 100 O VAL A 7 6.146 27.511 -7.072 1.00 0.00 O ATOM 101 CB VAL A 7 5.422 26.377 -3.971 1.00 0.00 C ATOM 102 CG1 VAL A 7 5.953 27.804 -3.807 1.00 0.00 C ATOM 103 CG2 VAL A 7 4.155 26.216 -3.126 1.00 0.00 C ATOM 0 H VAL A 7 4.846 24.152 -4.734 1.00 0.00 H new ATOM 0 HA VAL A 7 4.223 26.685 -5.739 1.00 0.00 H new ATOM 0 HB VAL A 7 6.182 25.669 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.181 27.989 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.858 27.926 -4.402 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.198 28.514 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.388 26.413 -2.080 1.00 0.00 H new ATOM 0 HG22 VAL A 7 3.397 26.921 -3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.777 25.199 -3.228 1.00 0.00 H new ATOM 113 N ALA A 8 7.360 25.775 -6.313 1.00 0.00 N ATOM 114 CA ALA A 8 8.545 26.101 -7.093 1.00 0.00 C ATOM 115 C ALA A 8 8.255 26.037 -8.589 1.00 0.00 C ATOM 116 O ALA A 8 8.574 26.974 -9.321 1.00 0.00 O ATOM 117 CB ALA A 8 9.666 25.132 -6.729 1.00 0.00 C ATOM 0 H ALA A 8 7.455 24.936 -5.740 1.00 0.00 H new ATOM 0 HA ALA A 8 8.850 27.121 -6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.557 25.371 -7.310 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.892 25.220 -5.666 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.351 24.112 -6.950 1.00 0.00 H new ATOM 123 N LYS A 9 7.661 24.932 -9.047 1.00 0.00 N ATOM 124 CA LYS A 9 7.373 24.739 -10.459 1.00 0.00 C ATOM 125 C LYS A 9 6.402 25.811 -10.963 1.00 0.00 C ATOM 126 O LYS A 9 6.514 26.261 -12.098 1.00 0.00 O ATOM 127 CB LYS A 9 6.797 23.337 -10.675 1.00 0.00 C ATOM 128 CG LYS A 9 7.073 22.889 -12.110 1.00 0.00 C ATOM 129 CD LYS A 9 6.355 21.564 -12.384 1.00 0.00 C ATOM 130 CE LYS A 9 6.690 21.069 -13.796 1.00 0.00 C ATOM 131 NZ LYS A 9 6.188 22.000 -14.825 1.00 0.00 N ATOM 0 H LYS A 9 7.371 24.157 -8.451 1.00 0.00 H new ATOM 0 HA LYS A 9 8.297 24.834 -11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.245 22.636 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.724 23.339 -10.483 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.732 23.651 -12.811 1.00 0.00 H new ATOM 0 HG3 LYS A 9 8.146 22.771 -12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.656 20.819 -11.648 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.278 21.697 -12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.770 20.959 -13.898 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.253 20.083 -13.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.246 21.548 -15.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.198 22.244 -14.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.766 22.865 -14.822 1.00 0.00 H new ATOM 145 N ARG A 10 5.450 26.214 -10.116 1.00 0.00 N ATOM 146 CA ARG A 10 4.477 27.232 -10.479 1.00 0.00 C ATOM 147 C ARG A 10 5.155 28.605 -10.520 1.00 0.00 C ATOM 148 O ARG A 10 4.882 29.405 -11.412 1.00 0.00 O ATOM 149 CB ARG A 10 3.333 27.216 -9.452 1.00 0.00 C ATOM 150 CG ARG A 10 2.184 28.134 -9.901 1.00 0.00 C ATOM 151 CD ARG A 10 1.327 27.442 -10.971 1.00 0.00 C ATOM 152 NE ARG A 10 0.666 26.246 -10.432 1.00 0.00 N ATOM 153 CZ ARG A 10 -0.145 25.462 -11.163 1.00 0.00 C ATOM 154 NH1 ARG A 10 -0.405 25.768 -12.443 1.00 0.00 N ATOM 155 NH2 ARG A 10 -0.694 24.373 -10.612 1.00 0.00 N ATOM 0 H ARG A 10 5.338 25.845 -9.172 1.00 0.00 H new ATOM 0 HA ARG A 10 4.069 27.026 -11.468 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.964 26.198 -9.328 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.706 27.541 -8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.564 28.396 -9.044 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.589 29.065 -10.298 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.576 28.138 -11.345 1.00 0.00 H new ATOM 0 HD3 ARG A 10 1.954 27.163 -11.818 1.00 0.00 H new ATOM 0 HE ARG A 10 0.830 25.999 -9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.013 26.598 -12.864 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.021 25.171 -12.995 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.497 24.139 -9.639 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.310 23.777 -11.165 1.00 0.00 H new ATOM 169 N ALA A 11 6.032 28.873 -9.544 1.00 0.00 N ATOM 170 CA ALA A 11 6.722 30.149 -9.441 1.00 0.00 C ATOM 171 C ALA A 11 7.654 30.369 -10.632 1.00 0.00 C ATOM 172 O ALA A 11 7.527 31.370 -11.335 1.00 0.00 O ATOM 173 CB ALA A 11 7.515 30.189 -8.134 1.00 0.00 C ATOM 0 H ALA A 11 6.277 28.209 -8.810 1.00 0.00 H new ATOM 0 HA ALA A 11 5.982 30.949 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.034 31.144 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.833 30.073 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 11 8.243 29.378 -8.125 1.00 0.00 H new ATOM 179 N ASN A 12 8.600 29.442 -10.847 1.00 0.00 N ATOM 180 CA ASN A 12 9.583 29.577 -11.917 1.00 0.00 C ATOM 181 C ASN A 12 9.748 28.248 -12.657 1.00 0.00 C ATOM 182 O ASN A 12 8.782 27.724 -13.206 1.00 0.00 O ATOM 183 CB ASN A 12 10.911 30.053 -11.315 1.00 0.00 C ATOM 184 CG ASN A 12 10.747 31.411 -10.643 1.00 0.00 C ATOM 185 OD1 ASN A 12 10.520 31.487 -9.442 1.00 0.00 O ATOM 186 ND2 ASN A 12 10.867 32.482 -11.423 1.00 0.00 N ATOM 0 H ASN A 12 8.700 28.593 -10.290 1.00 0.00 H new ATOM 0 HA ASN A 12 9.243 30.314 -12.644 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.268 29.324 -10.588 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.667 30.119 -12.098 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.770 33.416 -11.025 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.056 32.369 -12.419 1.00 0.00 H new ATOM 193 N VAL A 13 10.976 27.707 -12.682 1.00 0.00 N ATOM 194 CA VAL A 13 11.260 26.466 -13.384 1.00 0.00 C ATOM 195 C VAL A 13 11.003 25.283 -12.461 1.00 0.00 C ATOM 196 O VAL A 13 10.189 24.416 -12.776 1.00 0.00 O ATOM 197 CB VAL A 13 12.720 26.479 -13.872 1.00 0.00 C ATOM 198 CG1 VAL A 13 13.043 25.163 -14.585 1.00 0.00 C ATOM 199 CG2 VAL A 13 12.927 27.645 -14.846 1.00 0.00 C ATOM 0 H VAL A 13 11.786 28.120 -12.219 1.00 0.00 H new ATOM 0 HA VAL A 13 10.605 26.371 -14.250 1.00 0.00 H new ATOM 0 HB VAL A 13 13.380 26.597 -13.013 1.00 0.00 H new ATOM 0 HG11 VAL A 13 14.078 25.179 -14.928 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.902 24.331 -13.895 1.00 0.00 H new ATOM 0 HG13 VAL A 13 12.379 25.040 -15.441 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.961 27.652 -15.190 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.261 27.528 -15.701 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.706 28.585 -14.340 1.00 0.00 H new ATOM 209 N SER A 14 11.703 25.240 -11.321 1.00 0.00 N ATOM 210 CA SER A 14 11.558 24.148 -10.369 1.00 0.00 C ATOM 211 C SER A 14 12.231 24.517 -9.047 1.00 0.00 C ATOM 212 O SER A 14 12.532 25.686 -8.801 1.00 0.00 O ATOM 213 CB SER A 14 12.174 22.869 -10.959 1.00 0.00 C ATOM 214 OG SER A 14 13.584 22.948 -10.908 1.00 0.00 O ATOM 0 H SER A 14 12.375 25.954 -11.041 1.00 0.00 H new ATOM 0 HA SER A 14 10.501 23.969 -10.175 1.00 0.00 H new ATOM 0 HB2 SER A 14 11.829 21.998 -10.402 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.845 22.738 -11.990 1.00 0.00 H new ATOM 0 HG SER A 14 13.971 22.130 -11.284 1.00 0.00 H new ATOM 220 N THR A 15 12.469 23.509 -8.201 1.00 0.00 N ATOM 221 CA THR A 15 13.105 23.707 -6.906 1.00 0.00 C ATOM 222 C THR A 15 14.473 24.382 -7.075 1.00 0.00 C ATOM 223 O THR A 15 14.933 25.072 -6.172 1.00 0.00 O ATOM 224 CB THR A 15 13.245 22.353 -6.200 1.00 0.00 C ATOM 225 OG1 THR A 15 11.993 21.701 -6.177 1.00 0.00 O ATOM 226 CG2 THR A 15 13.729 22.561 -4.763 1.00 0.00 C ATOM 0 H THR A 15 12.225 22.539 -8.399 1.00 0.00 H new ATOM 0 HA THR A 15 12.486 24.364 -6.295 1.00 0.00 H new ATOM 0 HB THR A 15 13.969 21.744 -6.741 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.083 20.835 -5.727 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.826 21.595 -4.268 1.00 0.00 H new ATOM 0 HG22 THR A 15 14.697 23.062 -4.774 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.009 23.175 -4.222 1.00 0.00 H new ATOM 234 N THR A 16 15.122 24.183 -8.232 1.00 0.00 N ATOM 235 CA THR A 16 16.424 24.777 -8.497 1.00 0.00 C ATOM 236 C THR A 16 16.330 26.303 -8.423 1.00 0.00 C ATOM 237 O THR A 16 17.074 26.938 -7.683 1.00 0.00 O ATOM 238 CB THR A 16 16.913 24.333 -9.880 1.00 0.00 C ATOM 239 OG1 THR A 16 15.892 24.541 -10.837 1.00 0.00 O ATOM 240 CG2 THR A 16 17.283 22.850 -9.846 1.00 0.00 C ATOM 0 H THR A 16 14.758 23.613 -8.995 1.00 0.00 H new ATOM 0 HA THR A 16 17.138 24.442 -7.744 1.00 0.00 H new ATOM 0 HB THR A 16 17.791 24.919 -10.153 1.00 0.00 H new ATOM 0 HG1 THR A 16 15.248 23.804 -10.794 1.00 0.00 H new ATOM 0 HG21 THR A 16 17.630 22.539 -10.831 1.00 0.00 H new ATOM 0 HG22 THR A 16 18.075 22.689 -9.115 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.408 22.263 -9.568 1.00 0.00 H new ATOM 248 N THR A 17 15.411 26.887 -9.196 1.00 0.00 N ATOM 249 CA THR A 17 15.231 28.330 -9.228 1.00 0.00 C ATOM 250 C THR A 17 14.801 28.862 -7.858 1.00 0.00 C ATOM 251 O THR A 17 14.979 30.044 -7.586 1.00 0.00 O ATOM 252 CB THR A 17 14.199 28.692 -10.310 1.00 0.00 C ATOM 253 OG1 THR A 17 13.254 27.650 -10.450 1.00 0.00 O ATOM 254 CG2 THR A 17 14.913 28.899 -11.645 1.00 0.00 C ATOM 0 H THR A 17 14.779 26.373 -9.810 1.00 0.00 H new ATOM 0 HA THR A 17 16.183 28.801 -9.473 1.00 0.00 H new ATOM 0 HB THR A 17 13.685 29.607 -10.015 1.00 0.00 H new ATOM 0 HG1 THR A 17 13.061 27.263 -9.571 1.00 0.00 H new ATOM 0 HG21 THR A 17 14.183 29.156 -12.412 1.00 0.00 H new ATOM 0 HG22 THR A 17 15.637 29.708 -11.549 1.00 0.00 H new ATOM 0 HG23 THR A 17 15.429 27.982 -11.928 1.00 0.00 H new ATOM 262 N VAL A 18 14.246 28.001 -6.994 1.00 0.00 N ATOM 263 CA VAL A 18 13.823 28.419 -5.665 1.00 0.00 C ATOM 264 C VAL A 18 15.020 28.436 -4.716 1.00 0.00 C ATOM 265 O VAL A 18 15.270 29.449 -4.070 1.00 0.00 O ATOM 266 CB VAL A 18 12.715 27.488 -5.156 1.00 0.00 C ATOM 267 CG1 VAL A 18 12.501 27.694 -3.652 1.00 0.00 C ATOM 268 CG2 VAL A 18 11.416 27.804 -5.894 1.00 0.00 C ATOM 0 H VAL A 18 14.083 27.015 -7.198 1.00 0.00 H new ATOM 0 HA VAL A 18 13.420 29.431 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 18 13.007 26.454 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 18 11.712 27.028 -3.302 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.426 27.473 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.213 28.728 -3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.625 27.145 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.136 28.841 -5.710 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.559 27.652 -6.964 1.00 0.00 H new ATOM 278 N SER A 19 15.759 27.319 -4.629 1.00 0.00 N ATOM 279 CA SER A 19 16.917 27.223 -3.741 1.00 0.00 C ATOM 280 C SER A 19 17.852 28.411 -3.964 1.00 0.00 C ATOM 281 O SER A 19 18.412 28.940 -3.007 1.00 0.00 O ATOM 282 CB SER A 19 17.647 25.898 -3.985 1.00 0.00 C ATOM 283 OG SER A 19 18.103 25.841 -5.317 1.00 0.00 O ATOM 0 H SER A 19 15.571 26.472 -5.165 1.00 0.00 H new ATOM 0 HA SER A 19 16.580 27.248 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.489 25.805 -3.299 1.00 0.00 H new ATOM 0 HB3 SER A 19 16.978 25.061 -3.784 1.00 0.00 H new ATOM 0 HG SER A 19 17.536 26.408 -5.881 1.00 0.00 H new ATOM 289 N HIS A 20 18.007 28.827 -5.228 1.00 0.00 N ATOM 290 CA HIS A 20 18.841 29.971 -5.582 1.00 0.00 C ATOM 291 C HIS A 20 18.483 31.176 -4.711 1.00 0.00 C ATOM 292 O HIS A 20 19.366 31.919 -4.283 1.00 0.00 O ATOM 293 CB HIS A 20 18.626 30.306 -7.061 1.00 0.00 C ATOM 294 CG HIS A 20 19.114 29.216 -7.979 1.00 0.00 C ATOM 295 ND1 HIS A 20 18.925 29.251 -9.356 1.00 0.00 N ATOM 296 CD2 HIS A 20 19.788 28.046 -7.745 1.00 0.00 C ATOM 297 CE1 HIS A 20 19.483 28.127 -9.851 1.00 0.00 C ATOM 298 NE2 HIS A 20 20.031 27.349 -8.917 1.00 0.00 N ATOM 0 H HIS A 20 17.558 28.379 -6.027 1.00 0.00 H new ATOM 0 HA HIS A 20 19.889 29.724 -5.412 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.565 30.479 -7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 20 19.144 31.235 -7.298 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.093 27.708 -6.765 1.00 0.00 H new ATOM 0 HE1 HIS A 20 19.486 27.881 -10.903 1.00 0.00 H new ATOM 0 HE2 HIS A 20 20.512 26.458 -9.037 1.00 0.00 H new ATOM 306 N VAL A 21 17.184 31.362 -4.460 1.00 0.00 N ATOM 307 CA VAL A 21 16.691 32.485 -3.668 1.00 0.00 C ATOM 308 C VAL A 21 16.743 32.167 -2.173 1.00 0.00 C ATOM 309 O VAL A 21 17.308 32.940 -1.402 1.00 0.00 O ATOM 310 CB VAL A 21 15.248 32.817 -4.075 1.00 0.00 C ATOM 311 CG1 VAL A 21 14.880 34.211 -3.556 1.00 0.00 C ATOM 312 CG2 VAL A 21 15.107 32.797 -5.592 1.00 0.00 C ATOM 0 H VAL A 21 16.450 30.740 -4.800 1.00 0.00 H new ATOM 0 HA VAL A 21 17.333 33.345 -3.860 1.00 0.00 H new ATOM 0 HB VAL A 21 14.581 32.070 -3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.856 34.448 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.964 34.229 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.558 34.949 -3.985 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.079 33.034 -5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.778 33.536 -6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 21 15.363 31.807 -5.968 1.00 0.00 H new ATOM 322 N ILE A 22 16.133 31.044 -1.760 1.00 0.00 N ATOM 323 CA ILE A 22 16.044 30.692 -0.344 1.00 0.00 C ATOM 324 C ILE A 22 17.432 30.659 0.299 1.00 0.00 C ATOM 325 O ILE A 22 17.640 31.264 1.350 1.00 0.00 O ATOM 326 CB ILE A 22 15.345 29.330 -0.151 1.00 0.00 C ATOM 327 CG1 ILE A 22 14.018 29.245 -0.939 1.00 0.00 C ATOM 328 CG2 ILE A 22 15.066 29.128 1.341 1.00 0.00 C ATOM 329 CD1 ILE A 22 13.043 30.345 -0.518 1.00 0.00 C ATOM 0 H ILE A 22 15.697 30.370 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 22 15.447 31.461 0.147 1.00 0.00 H new ATOM 0 HB ILE A 22 16.004 28.550 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 22 14.222 29.328 -2.007 1.00 0.00 H new ATOM 0 HG13 ILE A 22 13.559 28.270 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 22 14.572 28.168 1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 22 16.006 29.143 1.892 1.00 0.00 H new ATOM 0 HG23 ILE A 22 14.421 29.929 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 22 12.121 30.254 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 22 12.819 30.246 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 22 13.492 31.320 -0.705 1.00 0.00 H new ATOM 341 N ASN A 23 18.381 29.948 -0.325 1.00 0.00 N ATOM 342 CA ASN A 23 19.725 29.822 0.214 1.00 0.00 C ATOM 343 C ASN A 23 20.563 31.049 -0.163 1.00 0.00 C ATOM 344 O ASN A 23 21.718 31.155 0.250 1.00 0.00 O ATOM 345 CB ASN A 23 20.340 28.526 -0.333 1.00 0.00 C ATOM 346 CG ASN A 23 21.795 28.372 0.086 1.00 0.00 C ATOM 347 OD1 ASN A 23 22.086 28.127 1.252 1.00 0.00 O ATOM 348 ND2 ASN A 23 22.708 28.515 -0.874 1.00 0.00 N ATOM 0 H ASN A 23 18.234 29.454 -1.205 1.00 0.00 H new ATOM 0 HA ASN A 23 19.700 29.774 1.303 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.766 27.671 0.025 1.00 0.00 H new ATOM 0 HB3 ASN A 23 20.272 28.522 -1.421 1.00 0.00 H new ATOM 0 HD21 ASN A 23 23.699 28.421 -0.653 1.00 0.00 H new ATOM 0 HD22 ASN A 23 22.416 28.719 -1.830 1.00 0.00 H new ATOM 355 N LYS A 24 19.984 31.975 -0.951 1.00 0.00 N ATOM 356 CA LYS A 24 20.692 33.166 -1.406 1.00 0.00 C ATOM 357 C LYS A 24 21.974 32.737 -2.113 1.00 0.00 C ATOM 358 O LYS A 24 23.015 33.379 -1.985 1.00 0.00 O ATOM 359 CB LYS A 24 20.988 34.093 -0.217 1.00 0.00 C ATOM 360 CG LYS A 24 19.675 34.475 0.481 1.00 0.00 C ATOM 361 CD LYS A 24 19.957 35.429 1.650 1.00 0.00 C ATOM 362 CE LYS A 24 20.611 34.663 2.807 1.00 0.00 C ATOM 363 NZ LYS A 24 20.743 35.518 4.000 1.00 0.00 N ATOM 0 H LYS A 24 19.021 31.911 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 24 20.074 33.724 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.654 33.595 0.488 1.00 0.00 H new ATOM 0 HB3 LYS A 24 21.502 34.990 -0.562 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.000 34.950 -0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 24 19.174 33.578 0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.612 36.236 1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 24 19.028 35.889 1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 24 20.013 33.784 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.594 34.305 2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 21.188 34.976 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 21.333 36.344 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 19.801 35.839 4.303 1.00 0.00 H new ATOM 377 N THR A 25 21.879 31.632 -2.860 1.00 0.00 N ATOM 378 CA THR A 25 23.001 31.067 -3.582 1.00 0.00 C ATOM 379 C THR A 25 23.493 32.058 -4.636 1.00 0.00 C ATOM 380 O THR A 25 24.685 32.108 -4.935 1.00 0.00 O ATOM 381 CB THR A 25 22.546 29.750 -4.230 1.00 0.00 C ATOM 382 OG1 THR A 25 21.458 29.217 -3.503 1.00 0.00 O ATOM 383 CG2 THR A 25 23.686 28.741 -4.214 1.00 0.00 C ATOM 0 H THR A 25 21.011 31.108 -2.975 1.00 0.00 H new ATOM 0 HA THR A 25 23.830 30.866 -2.903 1.00 0.00 H new ATOM 0 HB THR A 25 22.247 29.949 -5.259 1.00 0.00 H new ATOM 0 HG1 THR A 25 21.529 28.240 -3.477 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.355 27.811 -4.675 1.00 0.00 H new ATOM 0 HG22 THR A 25 24.533 29.141 -4.771 1.00 0.00 H new ATOM 0 HG23 THR A 25 23.987 28.549 -3.184 1.00 0.00 H new ATOM 391 N ARG A 26 22.567 32.848 -5.196 1.00 0.00 N ATOM 392 CA ARG A 26 22.895 33.849 -6.195 1.00 0.00 C ATOM 393 C ARG A 26 21.797 34.910 -6.210 1.00 0.00 C ATOM 394 O ARG A 26 20.627 34.593 -6.001 1.00 0.00 O ATOM 395 CB ARG A 26 23.049 33.180 -7.567 1.00 0.00 C ATOM 396 CG ARG A 26 21.711 32.581 -8.020 1.00 0.00 C ATOM 397 CD ARG A 26 21.950 31.558 -9.130 1.00 0.00 C ATOM 398 NE ARG A 26 22.576 30.341 -8.595 1.00 0.00 N ATOM 399 CZ ARG A 26 22.785 29.237 -9.332 1.00 0.00 C ATOM 400 NH1 ARG A 26 22.475 29.230 -10.635 1.00 0.00 N ATOM 401 NH2 ARG A 26 23.303 28.143 -8.762 1.00 0.00 N ATOM 0 H ARG A 26 21.575 32.804 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 26 23.842 34.332 -5.953 1.00 0.00 H new ATOM 0 HB2 ARG A 26 23.395 33.910 -8.299 1.00 0.00 H new ATOM 0 HB3 ARG A 26 23.806 32.398 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 26 21.211 32.105 -7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 26 21.051 33.371 -8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 26 21.003 31.305 -9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 26 22.589 31.992 -9.899 1.00 0.00 H new ATOM 0 HE ARG A 26 22.866 30.334 -7.617 1.00 0.00 H new ATOM 0 HH11 ARG A 26 22.080 30.064 -11.070 1.00 0.00 H new ATOM 0 HH12 ARG A 26 22.634 28.391 -11.193 1.00 0.00 H new ATOM 0 HH21 ARG A 26 23.539 28.148 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 26 23.462 27.304 -9.320 1.00 0.00 H new ATOM 415 N PHE A 27 22.175 36.169 -6.452 1.00 0.00 N ATOM 416 CA PHE A 27 21.222 37.268 -6.466 1.00 0.00 C ATOM 417 C PHE A 27 20.479 37.291 -7.803 1.00 0.00 C ATOM 418 O PHE A 27 20.936 37.909 -8.762 1.00 0.00 O ATOM 419 CB PHE A 27 21.960 38.587 -6.217 1.00 0.00 C ATOM 420 CG PHE A 27 21.032 39.731 -5.856 1.00 0.00 C ATOM 421 CD1 PHE A 27 20.437 40.508 -6.867 1.00 0.00 C ATOM 422 CD2 PHE A 27 20.763 40.016 -4.503 1.00 0.00 C ATOM 423 CE1 PHE A 27 19.577 41.565 -6.527 1.00 0.00 C ATOM 424 CE2 PHE A 27 19.903 41.074 -4.164 1.00 0.00 C ATOM 425 CZ PHE A 27 19.310 41.849 -5.177 1.00 0.00 C ATOM 0 H PHE A 27 23.138 36.446 -6.641 1.00 0.00 H new ATOM 0 HA PHE A 27 20.486 37.132 -5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 27 22.682 38.446 -5.413 1.00 0.00 H new ATOM 0 HB3 PHE A 27 22.525 38.854 -7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 27 20.642 40.291 -7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 27 21.218 39.421 -3.725 1.00 0.00 H new ATOM 0 HE1 PHE A 27 19.120 42.160 -7.304 1.00 0.00 H new ATOM 0 HE2 PHE A 27 19.697 41.292 -3.126 1.00 0.00 H new ATOM 0 HZ PHE A 27 18.649 42.663 -4.917 1.00 0.00 H new ATOM 435 N VAL A 28 19.329 36.615 -7.858 1.00 0.00 N ATOM 436 CA VAL A 28 18.512 36.577 -9.063 1.00 0.00 C ATOM 437 C VAL A 28 17.828 37.925 -9.270 1.00 0.00 C ATOM 438 O VAL A 28 17.742 38.736 -8.345 1.00 0.00 O ATOM 439 CB VAL A 28 17.454 35.469 -8.952 1.00 0.00 C ATOM 440 CG1 VAL A 28 18.120 34.097 -9.073 1.00 0.00 C ATOM 441 CG2 VAL A 28 16.722 35.564 -7.608 1.00 0.00 C ATOM 0 H VAL A 28 18.945 36.085 -7.075 1.00 0.00 H new ATOM 0 HA VAL A 28 19.156 36.367 -9.917 1.00 0.00 H new ATOM 0 HB VAL A 28 16.733 35.595 -9.760 1.00 0.00 H new ATOM 0 HG11 VAL A 28 17.363 33.317 -8.993 1.00 0.00 H new ATOM 0 HG12 VAL A 28 18.621 34.019 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 28 18.851 33.976 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 28 15.975 34.773 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 28 17.439 35.453 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL A 28 16.231 36.534 -7.529 1.00 0.00 H new ATOM 451 N ALA A 29 17.328 38.155 -10.488 1.00 0.00 N ATOM 452 CA ALA A 29 16.619 39.379 -10.806 1.00 0.00 C ATOM 453 C ALA A 29 15.326 39.437 -9.996 1.00 0.00 C ATOM 454 O ALA A 29 14.814 38.399 -9.561 1.00 0.00 O ATOM 455 CB ALA A 29 16.318 39.419 -12.305 1.00 0.00 C ATOM 0 H ALA A 29 17.406 37.501 -11.267 1.00 0.00 H new ATOM 0 HA ALA A 29 17.233 40.243 -10.551 1.00 0.00 H new ATOM 0 HB1 ALA A 29 15.785 40.339 -12.545 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.253 39.385 -12.865 1.00 0.00 H new ATOM 0 HB3 ALA A 29 15.702 38.562 -12.575 1.00 0.00 H new ATOM 461 N GLU A 30 14.804 40.645 -9.796 1.00 0.00 N ATOM 462 CA GLU A 30 13.578 40.853 -9.043 1.00 0.00 C ATOM 463 C GLU A 30 12.449 39.992 -9.613 1.00 0.00 C ATOM 464 O GLU A 30 11.633 39.470 -8.858 1.00 0.00 O ATOM 465 CB GLU A 30 13.192 42.338 -9.091 1.00 0.00 C ATOM 466 CG GLU A 30 14.325 43.205 -8.523 1.00 0.00 C ATOM 467 CD GLU A 30 15.192 43.786 -9.638 1.00 0.00 C ATOM 468 OE1 GLU A 30 16.061 43.036 -10.132 1.00 0.00 O ATOM 469 OE2 GLU A 30 14.963 44.966 -9.977 1.00 0.00 O ATOM 0 H GLU A 30 15.222 41.504 -10.153 1.00 0.00 H new ATOM 0 HA GLU A 30 13.742 40.559 -8.006 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.981 42.632 -10.119 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.279 42.501 -8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.903 44.015 -7.928 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.943 42.607 -7.853 1.00 0.00 H new ATOM 476 N GLU A 31 12.406 39.859 -10.944 1.00 0.00 N ATOM 477 CA GLU A 31 11.355 39.114 -11.625 1.00 0.00 C ATOM 478 C GLU A 31 11.437 37.604 -11.342 1.00 0.00 C ATOM 479 O GLU A 31 10.498 36.874 -11.652 1.00 0.00 O ATOM 480 CB GLU A 31 11.453 39.393 -13.133 1.00 0.00 C ATOM 481 CG GLU A 31 10.107 39.117 -13.821 1.00 0.00 C ATOM 482 CD GLU A 31 9.024 40.063 -13.314 1.00 0.00 C ATOM 483 OE1 GLU A 31 9.034 41.228 -13.764 1.00 0.00 O ATOM 484 OE2 GLU A 31 8.207 39.603 -12.482 1.00 0.00 O ATOM 0 H GLU A 31 13.099 40.266 -11.572 1.00 0.00 H new ATOM 0 HA GLU A 31 10.389 39.447 -11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.747 40.430 -13.299 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.229 38.767 -13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.217 39.231 -14.899 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.807 38.085 -13.638 1.00 0.00 H new ATOM 491 N THR A 32 12.545 37.125 -10.758 1.00 0.00 N ATOM 492 CA THR A 32 12.685 35.710 -10.453 1.00 0.00 C ATOM 493 C THR A 32 12.257 35.444 -9.010 1.00 0.00 C ATOM 494 O THR A 32 11.437 34.566 -8.756 1.00 0.00 O ATOM 495 CB THR A 32 14.143 35.273 -10.669 1.00 0.00 C ATOM 496 OG1 THR A 32 14.826 36.221 -11.465 1.00 0.00 O ATOM 497 CG2 THR A 32 14.177 33.910 -11.363 1.00 0.00 C ATOM 0 H THR A 32 13.346 37.698 -10.493 1.00 0.00 H new ATOM 0 HA THR A 32 12.043 35.133 -11.119 1.00 0.00 H new ATOM 0 HB THR A 32 14.634 35.202 -9.698 1.00 0.00 H new ATOM 0 HG1 THR A 32 15.060 37.000 -10.918 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.212 33.604 -11.514 1.00 0.00 H new ATOM 0 HG22 THR A 32 13.668 33.173 -10.742 1.00 0.00 H new ATOM 0 HG23 THR A 32 13.675 33.980 -12.328 1.00 0.00 H new ATOM 505 N ARG A 33 12.829 36.202 -8.065 1.00 0.00 N ATOM 506 CA ARG A 33 12.566 36.006 -6.644 1.00 0.00 C ATOM 507 C ARG A 33 11.139 36.407 -6.264 1.00 0.00 C ATOM 508 O ARG A 33 10.540 35.772 -5.394 1.00 0.00 O ATOM 509 CB ARG A 33 13.597 36.795 -5.828 1.00 0.00 C ATOM 510 CG ARG A 33 13.452 38.304 -6.060 1.00 0.00 C ATOM 511 CD ARG A 33 14.830 38.969 -6.000 1.00 0.00 C ATOM 512 NE ARG A 33 15.536 38.616 -4.762 1.00 0.00 N ATOM 513 CZ ARG A 33 16.865 38.756 -4.601 1.00 0.00 C ATOM 514 NH1 ARG A 33 17.641 39.129 -5.627 1.00 0.00 N ATOM 515 NH2 ARG A 33 17.418 38.519 -3.405 1.00 0.00 N ATOM 0 H ARG A 33 13.481 36.960 -8.267 1.00 0.00 H new ATOM 0 HA ARG A 33 12.659 34.944 -6.418 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.472 36.574 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.603 36.477 -6.103 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.989 38.490 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.795 38.737 -5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.423 38.661 -6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.717 40.051 -6.062 1.00 0.00 H new ATOM 0 HE ARG A 33 14.991 38.245 -3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.226 39.310 -6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 33 18.647 39.232 -5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.833 38.233 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.425 38.624 -3.279 1.00 0.00 H new ATOM 529 N ASN A 34 10.585 37.450 -6.896 1.00 0.00 N ATOM 530 CA ASN A 34 9.231 37.900 -6.572 1.00 0.00 C ATOM 531 C ASN A 34 8.232 36.754 -6.769 1.00 0.00 C ATOM 532 O ASN A 34 7.304 36.603 -5.979 1.00 0.00 O ATOM 533 CB ASN A 34 8.850 39.136 -7.410 1.00 0.00 C ATOM 534 CG ASN A 34 8.794 38.842 -8.910 1.00 0.00 C ATOM 535 OD1 ASN A 34 9.336 37.848 -9.375 1.00 0.00 O ATOM 536 ND2 ASN A 34 8.135 39.719 -9.668 1.00 0.00 N ATOM 0 H ASN A 34 11.049 37.991 -7.626 1.00 0.00 H new ATOM 0 HA ASN A 34 9.200 38.197 -5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.879 39.507 -7.081 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.574 39.930 -7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.069 39.574 -10.675 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.697 40.535 -9.240 1.00 0.00 H new ATOM 543 N ALA A 35 8.430 35.947 -7.817 1.00 0.00 N ATOM 544 CA ALA A 35 7.550 34.827 -8.112 1.00 0.00 C ATOM 545 C ALA A 35 7.638 33.777 -7.005 1.00 0.00 C ATOM 546 O ALA A 35 6.617 33.244 -6.577 1.00 0.00 O ATOM 547 CB ALA A 35 7.944 34.224 -9.461 1.00 0.00 C ATOM 0 H ALA A 35 9.201 36.056 -8.476 1.00 0.00 H new ATOM 0 HA ALA A 35 6.519 35.176 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.289 33.383 -9.689 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.848 34.981 -10.240 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.976 33.877 -9.417 1.00 0.00 H new ATOM 553 N VAL A 36 8.861 33.484 -6.544 1.00 0.00 N ATOM 554 CA VAL A 36 9.077 32.492 -5.498 1.00 0.00 C ATOM 555 C VAL A 36 8.346 32.906 -4.223 1.00 0.00 C ATOM 556 O VAL A 36 7.490 32.172 -3.730 1.00 0.00 O ATOM 557 CB VAL A 36 10.586 32.342 -5.232 1.00 0.00 C ATOM 558 CG1 VAL A 36 10.815 31.350 -4.086 1.00 0.00 C ATOM 559 CG2 VAL A 36 11.286 31.828 -6.491 1.00 0.00 C ATOM 0 H VAL A 36 9.715 33.925 -6.885 1.00 0.00 H new ATOM 0 HA VAL A 36 8.680 31.531 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 36 10.996 33.315 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.884 31.247 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.325 31.717 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.399 30.380 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.354 31.724 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.871 30.859 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 36 11.133 32.535 -7.307 1.00 0.00 H new ATOM 569 N TRP A 37 8.694 34.077 -3.685 1.00 0.00 N ATOM 570 CA TRP A 37 8.112 34.562 -2.444 1.00 0.00 C ATOM 571 C TRP A 37 6.597 34.726 -2.578 1.00 0.00 C ATOM 572 O TRP A 37 5.864 34.448 -1.630 1.00 0.00 O ATOM 573 CB TRP A 37 8.792 35.872 -2.045 1.00 0.00 C ATOM 574 CG TRP A 37 10.260 35.728 -1.766 1.00 0.00 C ATOM 575 CD1 TRP A 37 11.248 36.399 -2.383 1.00 0.00 C ATOM 576 CD2 TRP A 37 10.931 34.845 -0.814 1.00 0.00 C ATOM 577 NE1 TRP A 37 12.480 36.010 -1.909 1.00 0.00 N ATOM 578 CE2 TRP A 37 12.345 35.038 -0.932 1.00 0.00 C ATOM 579 CE3 TRP A 37 10.497 33.889 0.140 1.00 0.00 C ATOM 580 CZ2 TRP A 37 13.267 34.322 -0.159 1.00 0.00 C ATOM 581 CZ3 TRP A 37 11.427 33.170 0.921 1.00 0.00 C ATOM 582 CH2 TRP A 37 12.807 33.384 0.766 1.00 0.00 C ATOM 0 H TRP A 37 9.382 34.707 -4.098 1.00 0.00 H new ATOM 0 HA TRP A 37 8.281 33.830 -1.654 1.00 0.00 H new ATOM 0 HB2 TRP A 37 8.652 36.601 -2.843 1.00 0.00 H new ATOM 0 HB3 TRP A 37 8.300 36.271 -1.158 1.00 0.00 H new ATOM 0 HD1 TRP A 37 11.095 37.145 -3.149 1.00 0.00 H new ATOM 0 HE1 TRP A 37 13.371 36.386 -2.233 1.00 0.00 H new ATOM 0 HE3 TRP A 37 9.440 33.709 0.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 14.327 34.494 -0.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.075 32.449 1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 37 13.511 32.823 1.362 1.00 0.00 H new ATOM 593 N ALA A 38 6.121 35.171 -3.746 1.00 0.00 N ATOM 594 CA ALA A 38 4.693 35.335 -3.972 1.00 0.00 C ATOM 595 C ALA A 38 3.996 33.975 -3.888 1.00 0.00 C ATOM 596 O ALA A 38 3.098 33.791 -3.074 1.00 0.00 O ATOM 597 CB ALA A 38 4.455 35.982 -5.338 1.00 0.00 C ATOM 0 H ALA A 38 6.707 35.421 -4.543 1.00 0.00 H new ATOM 0 HA ALA A 38 4.276 35.986 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.384 36.102 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.939 36.958 -5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.872 35.347 -6.119 1.00 0.00 H new ATOM 603 N ALA A 39 4.416 33.028 -4.734 1.00 0.00 N ATOM 604 CA ALA A 39 3.818 31.699 -4.775 1.00 0.00 C ATOM 605 C ALA A 39 3.791 31.072 -3.377 1.00 0.00 C ATOM 606 O ALA A 39 2.777 30.510 -2.977 1.00 0.00 O ATOM 607 CB ALA A 39 4.610 30.820 -5.743 1.00 0.00 C ATOM 0 H ALA A 39 5.174 33.164 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 39 2.788 31.781 -5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.166 29.825 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.586 31.262 -6.739 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.643 30.745 -5.404 1.00 0.00 H new ATOM 613 N ILE A 40 4.905 31.172 -2.641 1.00 0.00 N ATOM 614 CA ILE A 40 5.006 30.604 -1.298 1.00 0.00 C ATOM 615 C ILE A 40 3.876 31.118 -0.396 1.00 0.00 C ATOM 616 O ILE A 40 3.451 30.407 0.511 1.00 0.00 O ATOM 617 CB ILE A 40 6.390 30.945 -0.709 1.00 0.00 C ATOM 618 CG1 ILE A 40 7.443 30.007 -1.325 1.00 0.00 C ATOM 619 CG2 ILE A 40 6.377 30.772 0.818 1.00 0.00 C ATOM 620 CD1 ILE A 40 8.855 30.476 -0.962 1.00 0.00 C ATOM 0 H ILE A 40 5.751 31.644 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 40 4.901 29.521 -1.356 1.00 0.00 H new ATOM 0 HB ILE A 40 6.634 31.982 -0.941 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.287 28.990 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.328 29.983 -2.409 1.00 0.00 H new ATOM 0 HG21 ILE A 40 7.360 31.016 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 40 5.632 31.438 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.130 29.740 1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 40 9.588 29.802 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.013 31.485 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.971 30.476 0.122 1.00 0.00 H new ATOM 632 N LYS A 41 3.395 32.343 -0.642 1.00 0.00 N ATOM 633 CA LYS A 41 2.346 32.935 0.169 1.00 0.00 C ATOM 634 C LYS A 41 0.984 32.488 -0.334 1.00 0.00 C ATOM 635 O LYS A 41 0.166 31.993 0.438 1.00 0.00 O ATOM 636 CB LYS A 41 2.441 34.460 0.093 1.00 0.00 C ATOM 637 CG LYS A 41 3.675 34.962 0.842 1.00 0.00 C ATOM 638 CD LYS A 41 3.995 36.403 0.417 1.00 0.00 C ATOM 639 CE LYS A 41 2.766 37.311 0.605 1.00 0.00 C ATOM 640 NZ LYS A 41 1.931 37.363 -0.618 1.00 0.00 N ATOM 0 H LYS A 41 3.723 32.939 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 41 2.469 32.611 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.489 34.775 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.543 34.907 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.500 34.921 1.917 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.526 34.314 0.633 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.829 36.785 1.006 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.309 36.419 -0.627 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.167 36.945 1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.094 38.318 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.509 38.309 -0.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.522 37.165 -1.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.175 36.652 -0.553 1.00 0.00 H new ATOM 654 N GLU A 42 0.735 32.688 -1.633 1.00 0.00 N ATOM 655 CA GLU A 42 -0.564 32.395 -2.216 1.00 0.00 C ATOM 656 C GLU A 42 -0.869 30.898 -2.130 1.00 0.00 C ATOM 657 O GLU A 42 -1.895 30.504 -1.574 1.00 0.00 O ATOM 658 CB GLU A 42 -0.614 32.887 -3.670 1.00 0.00 C ATOM 659 CG GLU A 42 -0.151 34.355 -3.777 1.00 0.00 C ATOM 660 CD GLU A 42 -0.652 35.203 -2.608 1.00 0.00 C ATOM 661 OE1 GLU A 42 -1.886 35.338 -2.492 1.00 0.00 O ATOM 662 OE2 GLU A 42 0.218 35.702 -1.852 1.00 0.00 O ATOM 0 H GLU A 42 1.421 33.052 -2.294 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.330 32.924 -1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.021 32.256 -4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.630 32.794 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.938 34.390 -3.809 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.511 34.781 -4.714 1.00 0.00 H new ATOM 669 N LEU A 43 0.023 30.060 -2.674 1.00 0.00 N ATOM 670 CA LEU A 43 -0.162 28.614 -2.641 1.00 0.00 C ATOM 671 C LEU A 43 0.107 28.088 -1.223 1.00 0.00 C ATOM 672 O LEU A 43 -0.062 26.898 -0.976 1.00 0.00 O ATOM 673 CB LEU A 43 0.782 27.943 -3.657 1.00 0.00 C ATOM 674 CG LEU A 43 0.172 27.917 -5.077 1.00 0.00 C ATOM 675 CD1 LEU A 43 -0.999 26.926 -5.136 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.310 29.312 -5.489 1.00 0.00 C ATOM 0 H LEU A 43 0.878 30.364 -3.141 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.190 28.374 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.732 28.478 -3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.997 26.924 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 43 0.948 27.597 -5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.419 26.918 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.643 25.927 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.767 27.228 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.735 29.269 -6.492 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.070 29.656 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.532 30.005 -5.482 1.00 0.00 H new ATOM 688 N HIS A 44 0.518 28.992 -0.304 1.00 0.00 N ATOM 689 CA HIS A 44 0.804 28.667 1.093 1.00 0.00 C ATOM 690 C HIS A 44 1.543 27.333 1.220 1.00 0.00 C ATOM 691 O HIS A 44 0.935 26.288 1.460 1.00 0.00 O ATOM 692 CB HIS A 44 -0.484 28.688 1.928 1.00 0.00 C ATOM 693 CG HIS A 44 -1.594 27.833 1.374 1.00 0.00 C ATOM 694 ND1 HIS A 44 -2.420 28.249 0.335 1.00 0.00 N ATOM 695 CD2 HIS A 44 -2.045 26.580 1.703 1.00 0.00 C ATOM 696 CE1 HIS A 44 -3.288 27.243 0.103 1.00 0.00 C ATOM 697 NE2 HIS A 44 -3.111 26.193 0.907 1.00 0.00 N ATOM 0 H HIS A 44 0.659 29.978 -0.525 1.00 0.00 H new ATOM 0 HA HIS A 44 1.470 29.434 1.489 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.253 28.353 2.939 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.837 29.716 2.005 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -2.378 29.142 -0.156 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -1.621 25.970 2.487 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -4.052 27.283 -0.659 1.00 0.00 H new ATOM 705 N TYR A 45 2.866 27.392 1.065 1.00 0.00 N ATOM 706 CA TYR A 45 3.724 26.221 1.176 1.00 0.00 C ATOM 707 C TYR A 45 3.514 25.573 2.544 1.00 0.00 C ATOM 708 O TYR A 45 3.933 26.119 3.563 1.00 0.00 O ATOM 709 CB TYR A 45 5.186 26.647 0.991 1.00 0.00 C ATOM 710 CG TYR A 45 6.188 25.633 1.504 1.00 0.00 C ATOM 711 CD1 TYR A 45 6.224 24.333 0.962 1.00 0.00 C ATOM 712 CD2 TYR A 45 7.083 25.988 2.530 1.00 0.00 C ATOM 713 CE1 TYR A 45 7.152 23.396 1.449 1.00 0.00 C ATOM 714 CE2 TYR A 45 8.010 25.050 3.013 1.00 0.00 C ATOM 715 CZ TYR A 45 8.044 23.755 2.475 1.00 0.00 C ATOM 716 OH TYR A 45 8.944 22.847 2.947 1.00 0.00 O ATOM 0 H TYR A 45 3.369 28.255 0.859 1.00 0.00 H new ATOM 0 HA TYR A 45 3.474 25.493 0.404 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.372 26.824 -0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.346 27.595 1.505 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.540 24.057 0.174 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.057 26.984 2.947 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.180 22.399 1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.697 25.326 3.799 1.00 0.00 H new ATOM 0 HH TYR A 45 9.485 23.259 3.653 1.00 0.00 H new ATOM 726 N SER A 46 2.855 24.411 2.562 1.00 0.00 N ATOM 727 CA SER A 46 2.570 23.701 3.795 1.00 0.00 C ATOM 728 C SER A 46 2.138 22.270 3.464 1.00 0.00 C ATOM 729 O SER A 46 0.939 21.998 3.365 1.00 0.00 O ATOM 730 CB SER A 46 1.467 24.445 4.559 1.00 0.00 C ATOM 731 OG SER A 46 1.078 23.695 5.690 1.00 0.00 O ATOM 0 H SER A 46 2.509 23.945 1.723 1.00 0.00 H new ATOM 0 HA SER A 46 3.460 23.657 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.825 25.427 4.868 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.609 24.610 3.908 1.00 0.00 H new ATOM 0 HG SER A 46 0.375 24.175 6.175 1.00 0.00 H new ATOM 737 N PRO A 47 3.109 21.352 3.288 1.00 0.00 N ATOM 738 CA PRO A 47 2.827 19.969 2.970 1.00 0.00 C ATOM 739 C PRO A 47 2.048 19.304 4.102 1.00 0.00 C ATOM 740 O PRO A 47 2.527 19.239 5.232 1.00 0.00 O ATOM 741 CB PRO A 47 4.192 19.298 2.768 1.00 0.00 C ATOM 742 CG PRO A 47 5.259 20.382 2.976 1.00 0.00 C ATOM 743 CD PRO A 47 4.521 21.653 3.393 1.00 0.00 C ATOM 0 HA PRO A 47 2.209 19.880 2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 47 4.329 18.481 3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.267 18.869 1.769 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.973 20.080 3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.826 20.547 2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.783 21.939 4.411 1.00 0.00 H new ATOM 0 HD3 PRO A 47 4.790 22.489 2.747 1.00 0.00 H new ATOM 751 N SER A 48 0.846 18.805 3.793 1.00 0.00 N ATOM 752 CA SER A 48 0.022 18.116 4.773 1.00 0.00 C ATOM 753 C SER A 48 0.603 16.727 5.028 1.00 0.00 C ATOM 754 O SER A 48 0.694 16.289 6.174 1.00 0.00 O ATOM 755 CB SER A 48 -1.414 18.026 4.252 1.00 0.00 C ATOM 756 OG SER A 48 -1.409 17.584 2.908 1.00 0.00 O ATOM 0 H SER A 48 0.427 18.870 2.865 1.00 0.00 H new ATOM 0 HA SER A 48 0.012 18.665 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.992 17.338 4.869 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.898 19.000 4.322 1.00 0.00 H new ATOM 0 HG SER A 48 -2.330 17.526 2.579 1.00 0.00 H new ATOM 762 N ALA A 49 1.002 16.045 3.948 1.00 0.00 N ATOM 763 CA ALA A 49 1.598 14.723 4.037 1.00 0.00 C ATOM 764 C ALA A 49 3.112 14.861 4.210 1.00 0.00 C ATOM 765 O ALA A 49 3.611 15.968 4.413 1.00 0.00 O ATOM 766 CB ALA A 49 1.258 13.937 2.768 1.00 0.00 C ATOM 0 H ALA A 49 0.918 16.399 2.995 1.00 0.00 H new ATOM 0 HA ALA A 49 1.202 14.184 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.701 12.943 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.176 13.847 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.654 14.461 1.898 1.00 0.00 H new ATOM 772 N VAL A 50 3.834 13.726 4.121 1.00 0.00 N ATOM 773 CA VAL A 50 5.296 13.682 4.255 1.00 0.00 C ATOM 774 C VAL A 50 5.771 14.595 5.408 1.00 0.00 C ATOM 775 O VAL A 50 6.779 15.286 5.297 1.00 0.00 O ATOM 776 CB VAL A 50 5.953 14.018 2.885 1.00 0.00 C ATOM 777 CG1 VAL A 50 5.679 15.469 2.457 1.00 0.00 C ATOM 778 CG2 VAL A 50 7.468 13.778 2.943 1.00 0.00 C ATOM 0 H VAL A 50 3.413 12.812 3.953 1.00 0.00 H new ATOM 0 HA VAL A 50 5.616 12.676 4.526 1.00 0.00 H new ATOM 0 HB VAL A 50 5.505 13.356 2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.156 15.661 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.604 15.625 2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.083 16.151 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 50 7.912 14.018 1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.908 14.413 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.662 12.732 3.182 1.00 0.00 H new ATOM 788 N ALA A 51 5.027 14.577 6.524 1.00 0.00 N ATOM 789 CA ALA A 51 5.355 15.380 7.694 1.00 0.00 C ATOM 790 C ALA A 51 6.149 14.538 8.690 1.00 0.00 C ATOM 791 O ALA A 51 7.249 14.913 9.088 1.00 0.00 O ATOM 792 CB ALA A 51 4.063 15.899 8.327 1.00 0.00 C ATOM 0 H ALA A 51 4.188 14.007 6.633 1.00 0.00 H new ATOM 0 HA ALA A 51 5.969 16.232 7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.303 16.501 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.524 16.511 7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.440 15.056 8.626 1.00 0.00 H new ATOM 798 N ARG A 52 5.583 13.390 9.091 1.00 0.00 N ATOM 799 CA ARG A 52 6.237 12.490 10.034 1.00 0.00 C ATOM 800 C ARG A 52 7.493 11.878 9.406 1.00 0.00 C ATOM 801 O ARG A 52 8.432 11.530 10.116 1.00 0.00 O ATOM 802 CB ARG A 52 5.244 11.402 10.481 1.00 0.00 C ATOM 803 CG ARG A 52 4.776 10.556 9.284 1.00 0.00 C ATOM 804 CD ARG A 52 5.495 9.203 9.282 1.00 0.00 C ATOM 805 NE ARG A 52 5.128 8.418 8.097 1.00 0.00 N ATOM 806 CZ ARG A 52 5.537 7.152 7.899 1.00 0.00 C ATOM 807 NH1 ARG A 52 6.338 6.553 8.792 1.00 0.00 N ATOM 808 NH2 ARG A 52 5.145 6.488 6.803 1.00 0.00 N ATOM 0 H ARG A 52 4.670 13.068 8.771 1.00 0.00 H new ATOM 0 HA ARG A 52 6.551 13.052 10.914 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.715 10.758 11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.383 11.866 10.962 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.698 10.404 9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.979 11.086 8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.574 9.360 9.300 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.238 8.649 10.185 1.00 0.00 H new ATOM 0 HE ARG A 52 4.535 8.853 7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.640 7.058 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.646 5.593 8.638 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.538 6.943 6.121 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.454 5.528 6.651 1.00 0.00 H new ATOM 822 N SER A 53 7.505 11.748 8.073 1.00 0.00 N ATOM 823 CA SER A 53 8.643 11.191 7.361 1.00 0.00 C ATOM 824 C SER A 53 9.731 12.256 7.234 1.00 0.00 C ATOM 825 O SER A 53 9.453 13.381 6.823 1.00 0.00 O ATOM 826 CB SER A 53 8.189 10.715 5.982 1.00 0.00 C ATOM 827 OG SER A 53 7.178 9.739 6.129 1.00 0.00 O ATOM 0 H SER A 53 6.730 12.025 7.470 1.00 0.00 H new ATOM 0 HA SER A 53 9.050 10.341 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 53 7.814 11.557 5.400 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.034 10.299 5.433 1.00 0.00 H new ATOM 0 HG SER A 53 6.886 9.435 5.244 1.00 0.00 H new ATOM 833 N LEU A 54 10.968 11.896 7.590 1.00 0.00 N ATOM 834 CA LEU A 54 12.092 12.817 7.524 1.00 0.00 C ATOM 835 C LEU A 54 12.500 13.011 6.064 1.00 0.00 C ATOM 836 O LEU A 54 13.358 12.288 5.554 1.00 0.00 O ATOM 837 CB LEU A 54 13.268 12.260 8.349 1.00 0.00 C ATOM 838 CG LEU A 54 13.136 12.624 9.846 1.00 0.00 C ATOM 839 CD1 LEU A 54 13.351 14.129 10.049 1.00 0.00 C ATOM 840 CD2 LEU A 54 11.758 12.222 10.385 1.00 0.00 C ATOM 0 H LEU A 54 11.211 10.965 7.928 1.00 0.00 H new ATOM 0 HA LEU A 54 11.805 13.783 7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.309 11.176 8.240 1.00 0.00 H new ATOM 0 HB3 LEU A 54 14.206 12.655 7.959 1.00 0.00 H new ATOM 0 HG LEU A 54 13.900 12.075 10.396 1.00 0.00 H new ATOM 0 HD11 LEU A 54 13.255 14.371 11.108 1.00 0.00 H new ATOM 0 HD12 LEU A 54 14.347 14.404 9.703 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.604 14.683 9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.688 12.488 11.440 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.982 12.746 9.827 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.623 11.146 10.272 1.00 0.00 H new ATOM 852 N LYS A 55 11.882 13.990 5.395 1.00 0.00 N ATOM 853 CA LYS A 55 12.176 14.291 4.005 1.00 0.00 C ATOM 854 C LYS A 55 11.974 15.786 3.761 1.00 0.00 C ATOM 855 O LYS A 55 10.897 16.317 4.025 1.00 0.00 O ATOM 856 CB LYS A 55 11.262 13.439 3.100 1.00 0.00 C ATOM 857 CG LYS A 55 11.182 14.019 1.674 1.00 0.00 C ATOM 858 CD LYS A 55 12.568 14.028 1.011 1.00 0.00 C ATOM 859 CE LYS A 55 12.505 14.827 -0.297 1.00 0.00 C ATOM 860 NZ LYS A 55 13.845 15.272 -0.711 1.00 0.00 N ATOM 0 H LYS A 55 11.167 14.590 5.807 1.00 0.00 H new ATOM 0 HA LYS A 55 13.212 14.047 3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.640 12.417 3.058 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.262 13.392 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.491 13.427 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.785 15.033 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.302 14.470 1.685 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.894 13.007 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.064 14.212 -1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.855 15.692 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.773 15.810 -1.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.254 15.878 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.456 14.443 -0.857 1.00 0.00 H new ATOM 874 N VAL A 56 13.017 16.450 3.249 1.00 0.00 N ATOM 875 CA VAL A 56 12.972 17.869 2.927 1.00 0.00 C ATOM 876 C VAL A 56 13.529 18.070 1.518 1.00 0.00 C ATOM 877 O VAL A 56 12.900 18.859 0.781 1.00 0.00 O ATOM 878 CB VAL A 56 13.779 18.675 3.963 1.00 0.00 C ATOM 879 CG1 VAL A 56 13.123 18.551 5.340 1.00 0.00 C ATOM 880 CG2 VAL A 56 15.224 18.164 4.037 1.00 0.00 C ATOM 881 OXT VAL A 56 14.350 17.211 1.115 1.00 0.00 O ATOM 0 H VAL A 56 13.916 16.011 3.048 1.00 0.00 H new ATOM 0 HA VAL A 56 11.943 18.227 2.959 1.00 0.00 H new ATOM 0 HB VAL A 56 13.791 19.721 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.697 19.123 6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 56 12.105 18.939 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 56 13.099 17.503 5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 56 15.778 18.745 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.224 17.114 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 56 15.698 18.269 3.061 1.00 0.00 H new TER 891 VAL A 56