USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 448 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0765 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.925 X(o=-0.93,f=-1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.03 K(o=-1,f=-9.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 145:sc= -0.207 (180deg=-1.5!) USER MOD Single : A 40 THR OG1 : rot 84:sc= 0.77 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.544 K(o=-0.54,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.911 K(o=-0.91,f=-0.055) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.034) USER MOD Single : A 54 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-0.05) USER MOD Single : A 55 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.0055) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0177 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.948 12.040 -20.108 1.00 0.00 N ATOM 2 CA GLY A 1 -18.022 12.903 -19.324 1.00 0.00 C ATOM 3 C GLY A 1 -18.734 13.673 -18.230 1.00 0.00 C ATOM 4 O GLY A 1 -19.951 13.569 -18.079 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.650 11.047 -20.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.915 12.143 -19.739 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.927 12.327 -21.108 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.242 12.284 -18.880 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.528 13.605 -19.996 1.00 0.00 H new ATOM 10 N SER A 2 -17.974 14.449 -17.463 1.00 0.00 N ATOM 11 CA SER A 2 -18.540 15.241 -16.377 1.00 0.00 C ATOM 12 C SER A 2 -17.843 16.593 -16.268 1.00 0.00 C ATOM 13 O SER A 2 -18.451 17.637 -16.506 1.00 0.00 O ATOM 14 CB SER A 2 -18.421 14.485 -15.052 1.00 0.00 C ATOM 15 OG SER A 2 -19.232 15.079 -14.053 1.00 0.00 O ATOM 0 H SER A 2 -16.965 14.546 -17.574 1.00 0.00 H new ATOM 0 HA SER A 2 -19.594 15.413 -16.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.717 13.446 -15.195 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.381 14.479 -14.725 1.00 0.00 H new ATOM 0 HG SER A 2 -19.140 14.577 -13.216 1.00 0.00 H new ATOM 21 N SER A 3 -16.564 16.567 -15.909 1.00 0.00 N ATOM 22 CA SER A 3 -15.784 17.792 -15.768 1.00 0.00 C ATOM 23 C SER A 3 -14.317 17.545 -16.102 1.00 0.00 C ATOM 24 O SER A 3 -13.707 18.299 -16.859 1.00 0.00 O ATOM 25 CB SER A 3 -15.911 18.341 -14.346 1.00 0.00 C ATOM 26 OG SER A 3 -15.310 19.619 -14.237 1.00 0.00 O ATOM 0 H SER A 3 -16.045 15.712 -15.710 1.00 0.00 H new ATOM 0 HA SER A 3 -16.178 18.527 -16.470 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.964 18.406 -14.071 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.440 17.653 -13.644 1.00 0.00 H new ATOM 0 HG SER A 3 -15.406 19.948 -13.319 1.00 0.00 H new ATOM 32 N GLY A 4 -13.755 16.484 -15.530 1.00 0.00 N ATOM 33 CA GLY A 4 -12.363 16.156 -15.779 1.00 0.00 C ATOM 34 C GLY A 4 -11.520 16.218 -14.521 1.00 0.00 C ATOM 35 O GLY A 4 -11.910 15.695 -13.478 1.00 0.00 O ATOM 0 H GLY A 4 -14.239 15.846 -14.899 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.299 15.155 -16.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.957 16.845 -16.519 1.00 0.00 H new ATOM 39 N SER A 5 -10.360 16.860 -14.619 1.00 0.00 N ATOM 40 CA SER A 5 -9.459 16.987 -13.479 1.00 0.00 C ATOM 41 C SER A 5 -8.662 18.285 -13.558 1.00 0.00 C ATOM 42 O SER A 5 -7.612 18.343 -14.199 1.00 0.00 O ATOM 43 CB SER A 5 -8.506 15.792 -13.419 1.00 0.00 C ATOM 44 OG SER A 5 -9.222 14.573 -13.327 1.00 0.00 O ATOM 0 H SER A 5 -10.022 17.300 -15.475 1.00 0.00 H new ATOM 0 HA SER A 5 -10.062 17.007 -12.571 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.875 15.781 -14.308 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.843 15.894 -12.559 1.00 0.00 H new ATOM 0 HG SER A 5 -8.590 13.825 -13.292 1.00 0.00 H new ATOM 50 N SER A 6 -9.165 19.324 -12.899 1.00 0.00 N ATOM 51 CA SER A 6 -8.499 20.622 -12.894 1.00 0.00 C ATOM 52 C SER A 6 -7.944 20.941 -11.509 1.00 0.00 C ATOM 53 O SER A 6 -8.593 20.683 -10.496 1.00 0.00 O ATOM 54 CB SER A 6 -9.469 21.719 -13.334 1.00 0.00 C ATOM 55 OG SER A 6 -9.993 21.451 -14.623 1.00 0.00 O ATOM 0 H SER A 6 -10.031 19.293 -12.362 1.00 0.00 H new ATOM 0 HA SER A 6 -7.668 20.580 -13.598 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.285 21.797 -12.615 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.956 22.681 -13.339 1.00 0.00 H new ATOM 0 HG SER A 6 -10.612 22.166 -14.880 1.00 0.00 H new ATOM 61 N GLY A 7 -6.741 21.503 -11.475 1.00 0.00 N ATOM 62 CA GLY A 7 -6.119 21.847 -10.211 1.00 0.00 C ATOM 63 C GLY A 7 -4.916 20.977 -9.900 1.00 0.00 C ATOM 64 O GLY A 7 -5.041 19.760 -9.766 1.00 0.00 O ATOM 0 H GLY A 7 -6.186 21.726 -12.301 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.811 22.892 -10.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.852 21.748 -9.410 1.00 0.00 H new ATOM 68 N VAL A 8 -3.749 21.603 -9.788 1.00 0.00 N ATOM 69 CA VAL A 8 -2.520 20.877 -9.494 1.00 0.00 C ATOM 70 C VAL A 8 -2.198 19.873 -10.597 1.00 0.00 C ATOM 71 O VAL A 8 -3.095 19.370 -11.273 1.00 0.00 O ATOM 72 CB VAL A 8 -2.611 20.132 -8.150 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.259 19.557 -7.763 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.137 21.057 -7.062 1.00 0.00 C ATOM 0 H VAL A 8 -3.629 22.610 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.723 21.619 -9.435 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.311 19.304 -8.262 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.345 19.035 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.927 18.859 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.533 20.365 -7.669 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.195 20.514 -6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.464 21.907 -6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.130 21.414 -7.336 1.00 0.00 H new ATOM 84 N THR A 9 -0.913 19.587 -10.772 1.00 0.00 N ATOM 85 CA THR A 9 -0.473 18.643 -11.793 1.00 0.00 C ATOM 86 C THR A 9 0.734 17.843 -11.310 1.00 0.00 C ATOM 87 O THR A 9 1.869 18.118 -11.699 1.00 0.00 O ATOM 88 CB THR A 9 -0.126 19.383 -13.085 1.00 0.00 C ATOM 89 OG1 THR A 9 -1.231 20.144 -13.538 1.00 0.00 O ATOM 90 CG2 THR A 9 0.289 18.460 -14.210 1.00 0.00 C ATOM 0 H THR A 9 -0.158 19.995 -10.221 1.00 0.00 H new ATOM 0 HA THR A 9 -1.291 17.949 -11.989 1.00 0.00 H new ATOM 0 HB THR A 9 0.719 20.024 -12.834 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.989 20.612 -14.365 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.521 19.049 -15.097 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.170 17.894 -13.909 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.525 17.771 -14.435 1.00 0.00 H new ATOM 98 N TYR A 10 0.479 16.854 -10.459 1.00 0.00 N ATOM 99 CA TYR A 10 1.545 16.015 -9.922 1.00 0.00 C ATOM 100 C TYR A 10 1.324 14.541 -10.266 1.00 0.00 C ATOM 101 O TYR A 10 2.149 13.690 -9.935 1.00 0.00 O ATOM 102 CB TYR A 10 1.638 16.188 -8.404 1.00 0.00 C ATOM 103 CG TYR A 10 2.848 16.979 -7.958 1.00 0.00 C ATOM 104 CD1 TYR A 10 4.116 16.411 -7.969 1.00 0.00 C ATOM 105 CD2 TYR A 10 2.723 18.293 -7.526 1.00 0.00 C ATOM 106 CE1 TYR A 10 5.223 17.130 -7.563 1.00 0.00 C ATOM 107 CE2 TYR A 10 3.825 19.018 -7.118 1.00 0.00 C ATOM 108 CZ TYR A 10 5.073 18.433 -7.138 1.00 0.00 C ATOM 109 OH TYR A 10 6.174 19.153 -6.733 1.00 0.00 O ATOM 0 H TYR A 10 -0.455 16.614 -10.127 1.00 0.00 H new ATOM 0 HA TYR A 10 2.482 16.332 -10.381 1.00 0.00 H new ATOM 0 HB2 TYR A 10 0.737 16.687 -8.048 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.664 15.204 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.238 15.390 -8.301 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.747 18.756 -7.509 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.202 16.674 -7.578 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.710 20.039 -6.785 1.00 0.00 H new ATOM 0 HH TYR A 10 5.896 20.054 -6.466 1.00 0.00 H new ATOM 119 N ASP A 11 0.208 14.242 -10.931 1.00 0.00 N ATOM 120 CA ASP A 11 -0.111 12.873 -11.316 1.00 0.00 C ATOM 121 C ASP A 11 -0.025 11.930 -10.118 1.00 0.00 C ATOM 122 O ASP A 11 1.012 11.314 -9.873 1.00 0.00 O ATOM 123 CB ASP A 11 0.835 12.402 -12.419 1.00 0.00 C ATOM 124 CG ASP A 11 0.491 13.001 -13.770 1.00 0.00 C ATOM 125 OD1 ASP A 11 -0.692 12.939 -14.163 1.00 0.00 O ATOM 126 OD2 ASP A 11 1.406 13.533 -14.433 1.00 0.00 O ATOM 0 H ASP A 11 -0.489 14.932 -11.213 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.135 12.858 -11.690 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.858 12.670 -12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.798 11.315 -12.486 1.00 0.00 H new ATOM 131 N ASP A 12 -1.124 11.823 -9.378 1.00 0.00 N ATOM 132 CA ASP A 12 -1.174 10.955 -8.206 1.00 0.00 C ATOM 133 C ASP A 12 -2.609 10.787 -7.716 1.00 0.00 C ATOM 134 O ASP A 12 -2.860 10.707 -6.513 1.00 0.00 O ATOM 135 CB ASP A 12 -0.303 11.526 -7.085 1.00 0.00 C ATOM 136 CG ASP A 12 1.124 11.020 -7.147 1.00 0.00 C ATOM 137 OD1 ASP A 12 1.328 9.797 -7.001 1.00 0.00 O ATOM 138 OD2 ASP A 12 2.040 11.848 -7.343 1.00 0.00 O ATOM 0 H ASP A 12 -1.991 12.326 -9.568 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.789 9.976 -8.492 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.303 12.614 -7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.738 11.262 -6.121 1.00 0.00 H new ATOM 143 N VAL A 13 -3.547 10.735 -8.656 1.00 0.00 N ATOM 144 CA VAL A 13 -4.957 10.577 -8.320 1.00 0.00 C ATOM 145 C VAL A 13 -5.699 9.807 -9.407 1.00 0.00 C ATOM 146 O VAL A 13 -6.824 10.151 -9.771 1.00 0.00 O ATOM 147 CB VAL A 13 -5.639 11.943 -8.116 1.00 0.00 C ATOM 148 CG1 VAL A 13 -5.061 12.655 -6.902 1.00 0.00 C ATOM 149 CG2 VAL A 13 -5.500 12.801 -9.364 1.00 0.00 C ATOM 0 H VAL A 13 -3.356 10.800 -9.656 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.000 10.014 -7.388 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.701 11.774 -7.936 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.556 13.618 -6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.220 12.045 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.992 12.813 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.988 13.762 -9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.444 12.962 -9.579 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.969 12.295 -10.208 1.00 0.00 H new ATOM 159 N HIS A 14 -5.061 8.760 -9.924 1.00 0.00 N ATOM 160 CA HIS A 14 -5.662 7.940 -10.970 1.00 0.00 C ATOM 161 C HIS A 14 -6.158 6.609 -10.411 1.00 0.00 C ATOM 162 O HIS A 14 -7.011 5.953 -11.010 1.00 0.00 O ATOM 163 CB HIS A 14 -4.653 7.695 -12.095 1.00 0.00 C ATOM 164 CG HIS A 14 -5.089 8.244 -13.419 1.00 0.00 C ATOM 165 ND1 HIS A 14 -4.794 9.525 -13.836 1.00 0.00 N ATOM 166 CD2 HIS A 14 -5.802 7.679 -14.421 1.00 0.00 C ATOM 167 CE1 HIS A 14 -5.307 9.723 -15.037 1.00 0.00 C ATOM 168 NE2 HIS A 14 -5.924 8.619 -15.415 1.00 0.00 N ATOM 0 H HIS A 14 -4.130 8.461 -9.636 1.00 0.00 H new ATOM 0 HA HIS A 14 -6.520 8.480 -11.371 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.699 8.145 -11.821 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -4.484 6.623 -12.193 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -6.201 6.675 -14.436 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.234 10.634 -15.612 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.412 8.486 -16.301 1.00 0.00 H new ATOM 176 N MET A 15 -5.621 6.215 -9.262 1.00 0.00 N ATOM 177 CA MET A 15 -6.010 4.962 -8.626 1.00 0.00 C ATOM 178 C MET A 15 -6.279 5.166 -7.138 1.00 0.00 C ATOM 179 O MET A 15 -6.026 4.278 -6.324 1.00 0.00 O ATOM 180 CB MET A 15 -4.921 3.906 -8.818 1.00 0.00 C ATOM 181 CG MET A 15 -4.649 3.570 -10.275 1.00 0.00 C ATOM 182 SD MET A 15 -6.053 2.773 -11.078 1.00 0.00 S ATOM 183 CE MET A 15 -5.597 1.047 -10.921 1.00 0.00 C ATOM 0 H MET A 15 -4.915 6.745 -8.752 1.00 0.00 H new ATOM 0 HA MET A 15 -6.929 4.616 -9.099 1.00 0.00 H new ATOM 0 HB2 MET A 15 -3.999 4.259 -8.357 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.212 2.997 -8.292 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.398 4.484 -10.814 1.00 0.00 H new ATOM 0 HG3 MET A 15 -3.780 2.915 -10.337 1.00 0.00 H new ATOM 0 HE1 MET A 15 -6.369 0.424 -11.372 1.00 0.00 H new ATOM 0 HE2 MET A 15 -4.648 0.874 -11.429 1.00 0.00 H new ATOM 0 HE3 MET A 15 -5.496 0.792 -9.866 1.00 0.00 H new ATOM 193 N ASN A 16 -6.793 6.341 -6.790 1.00 0.00 N ATOM 194 CA ASN A 16 -7.096 6.661 -5.401 1.00 0.00 C ATOM 195 C ASN A 16 -8.511 6.219 -5.037 1.00 0.00 C ATOM 196 O ASN A 16 -9.433 7.032 -4.990 1.00 0.00 O ATOM 197 CB ASN A 16 -6.937 8.164 -5.155 1.00 0.00 C ATOM 198 CG ASN A 16 -5.672 8.494 -4.388 1.00 0.00 C ATOM 199 OD1 ASN A 16 -5.257 7.747 -3.501 1.00 0.00 O ATOM 200 ND2 ASN A 16 -5.051 9.619 -4.726 1.00 0.00 N ATOM 0 H ASN A 16 -7.008 7.087 -7.451 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.393 6.121 -4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.925 8.687 -6.111 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.801 8.532 -4.601 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.195 9.894 -4.244 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.430 10.208 -5.467 1.00 0.00 H new ATOM 207 N PHE A 17 -8.673 4.924 -4.781 1.00 0.00 N ATOM 208 CA PHE A 17 -9.975 4.374 -4.422 1.00 0.00 C ATOM 209 C PHE A 17 -10.171 4.383 -2.909 1.00 0.00 C ATOM 210 O PHE A 17 -9.372 3.814 -2.166 1.00 0.00 O ATOM 211 CB PHE A 17 -10.115 2.948 -4.958 1.00 0.00 C ATOM 212 CG PHE A 17 -9.852 2.833 -6.432 1.00 0.00 C ATOM 213 CD1 PHE A 17 -10.802 3.247 -7.352 1.00 0.00 C ATOM 214 CD2 PHE A 17 -8.655 2.312 -6.897 1.00 0.00 C ATOM 215 CE1 PHE A 17 -10.562 3.144 -8.710 1.00 0.00 C ATOM 216 CE2 PHE A 17 -8.410 2.205 -8.253 1.00 0.00 C ATOM 217 CZ PHE A 17 -9.365 2.621 -9.160 1.00 0.00 C ATOM 0 H PHE A 17 -7.920 4.237 -4.816 1.00 0.00 H new ATOM 0 HA PHE A 17 -10.744 5.001 -4.873 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.424 2.297 -4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.121 2.586 -4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.740 3.654 -7.005 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.905 1.986 -6.192 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -11.309 3.472 -9.418 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.473 1.797 -8.603 1.00 0.00 H new ATOM 0 HZ PHE A 17 -9.176 2.538 -10.220 1.00 0.00 H new ATOM 227 N THR A 18 -11.242 5.031 -2.460 1.00 0.00 N ATOM 228 CA THR A 18 -11.544 5.114 -1.036 1.00 0.00 C ATOM 229 C THR A 18 -12.184 3.821 -0.540 1.00 0.00 C ATOM 230 O THR A 18 -12.303 2.849 -1.286 1.00 0.00 O ATOM 231 CB THR A 18 -12.475 6.295 -0.759 1.00 0.00 C ATOM 232 OG1 THR A 18 -13.730 6.103 -1.385 1.00 0.00 O ATOM 233 CG2 THR A 18 -11.920 7.620 -1.239 1.00 0.00 C ATOM 0 H THR A 18 -11.915 5.506 -3.062 1.00 0.00 H new ATOM 0 HA THR A 18 -10.607 5.265 -0.499 1.00 0.00 H new ATOM 0 HB THR A 18 -12.577 6.333 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 18 -14.311 6.869 -1.194 1.00 0.00 H new ATOM 0 HG21 THR A 18 -12.630 8.416 -1.012 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.975 7.822 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 18 -11.756 7.577 -2.316 1.00 0.00 H new ATOM 241 N GLU A 19 -12.595 3.818 0.724 1.00 0.00 N ATOM 242 CA GLU A 19 -13.224 2.645 1.321 1.00 0.00 C ATOM 243 C GLU A 19 -14.515 2.291 0.589 1.00 0.00 C ATOM 244 O GLU A 19 -14.786 1.121 0.315 1.00 0.00 O ATOM 245 CB GLU A 19 -13.515 2.893 2.801 1.00 0.00 C ATOM 246 CG GLU A 19 -13.317 1.664 3.675 1.00 0.00 C ATOM 247 CD GLU A 19 -14.105 1.735 4.968 1.00 0.00 C ATOM 248 OE1 GLU A 19 -15.278 2.163 4.927 1.00 0.00 O ATOM 249 OE2 GLU A 19 -13.548 1.364 6.023 1.00 0.00 O ATOM 0 H GLU A 19 -12.504 4.614 1.355 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.533 1.807 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.868 3.693 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.542 3.242 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.617 0.775 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.257 1.553 3.905 1.00 0.00 H new ATOM 256 N GLU A 20 -15.310 3.309 0.276 1.00 0.00 N ATOM 257 CA GLU A 20 -16.573 3.107 -0.425 1.00 0.00 C ATOM 258 C GLU A 20 -16.333 2.618 -1.850 1.00 0.00 C ATOM 259 O GLU A 20 -17.097 1.810 -2.377 1.00 0.00 O ATOM 260 CB GLU A 20 -17.383 4.406 -0.444 1.00 0.00 C ATOM 261 CG GLU A 20 -18.604 4.376 0.461 1.00 0.00 C ATOM 262 CD GLU A 20 -19.902 4.266 -0.316 1.00 0.00 C ATOM 263 OE1 GLU A 20 -20.331 3.127 -0.596 1.00 0.00 O ATOM 264 OE2 GLU A 20 -20.489 5.318 -0.642 1.00 0.00 O ATOM 0 H GLU A 20 -15.102 4.283 0.497 1.00 0.00 H new ATOM 0 HA GLU A 20 -17.139 2.344 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -16.738 5.231 -0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -17.704 4.609 -1.466 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -18.523 3.533 1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -18.624 5.281 1.069 1.00 0.00 H new ATOM 271 N GLU A 21 -15.266 3.114 -2.467 1.00 0.00 N ATOM 272 CA GLU A 21 -14.925 2.728 -3.831 1.00 0.00 C ATOM 273 C GLU A 21 -14.279 1.346 -3.861 1.00 0.00 C ATOM 274 O GLU A 21 -14.414 0.608 -4.838 1.00 0.00 O ATOM 275 CB GLU A 21 -13.981 3.760 -4.454 1.00 0.00 C ATOM 276 CG GLU A 21 -14.677 4.730 -5.395 1.00 0.00 C ATOM 277 CD GLU A 21 -13.735 5.323 -6.424 1.00 0.00 C ATOM 278 OE1 GLU A 21 -12.683 5.863 -6.024 1.00 0.00 O ATOM 279 OE2 GLU A 21 -14.049 5.244 -7.630 1.00 0.00 O ATOM 0 H GLU A 21 -14.623 3.784 -2.045 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.846 2.690 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -13.496 4.324 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.195 3.238 -5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.489 4.214 -5.907 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -15.127 5.535 -4.813 1.00 0.00 H new ATOM 286 N TRP A 22 -13.579 1.001 -2.785 1.00 0.00 N ATOM 287 CA TRP A 22 -12.914 -0.295 -2.689 1.00 0.00 C ATOM 288 C TRP A 22 -13.918 -1.436 -2.816 1.00 0.00 C ATOM 289 O TRP A 22 -13.585 -2.517 -3.301 1.00 0.00 O ATOM 290 CB TRP A 22 -12.162 -0.408 -1.362 1.00 0.00 C ATOM 291 CG TRP A 22 -11.230 -1.580 -1.307 1.00 0.00 C ATOM 292 CD1 TRP A 22 -11.377 -2.711 -0.558 1.00 0.00 C ATOM 293 CD2 TRP A 22 -10.005 -1.734 -2.031 1.00 0.00 C ATOM 294 NE1 TRP A 22 -10.319 -3.560 -0.772 1.00 0.00 N ATOM 295 CE2 TRP A 22 -9.462 -2.983 -1.673 1.00 0.00 C ATOM 296 CE3 TRP A 22 -9.313 -0.939 -2.950 1.00 0.00 C ATOM 297 CZ2 TRP A 22 -8.263 -3.454 -2.200 1.00 0.00 C ATOM 298 CZ3 TRP A 22 -8.122 -1.407 -3.472 1.00 0.00 C ATOM 299 CH2 TRP A 22 -7.608 -2.654 -3.097 1.00 0.00 C ATOM 0 H TRP A 22 -13.457 1.599 -1.968 1.00 0.00 H new ATOM 0 HA TRP A 22 -12.202 -0.370 -3.511 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -11.594 0.507 -1.195 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -12.884 -0.488 -0.549 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -12.205 -2.910 0.106 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.192 -4.471 -0.332 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -9.702 0.024 -3.247 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.864 -4.415 -1.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -7.579 -0.800 -4.181 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -6.675 -2.992 -3.524 1.00 0.00 H new ATOM 310 N ASP A 23 -15.149 -1.187 -2.380 1.00 0.00 N ATOM 311 CA ASP A 23 -16.201 -2.195 -2.446 1.00 0.00 C ATOM 312 C ASP A 23 -16.785 -2.279 -3.854 1.00 0.00 C ATOM 313 O ASP A 23 -17.279 -3.328 -4.269 1.00 0.00 O ATOM 314 CB ASP A 23 -17.307 -1.874 -1.437 1.00 0.00 C ATOM 315 CG ASP A 23 -17.658 -3.065 -0.567 1.00 0.00 C ATOM 316 OD1 ASP A 23 -16.735 -3.816 -0.189 1.00 0.00 O ATOM 317 OD2 ASP A 23 -18.855 -3.245 -0.263 1.00 0.00 O ATOM 0 H ASP A 23 -15.442 -0.297 -1.978 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.763 -3.161 -2.197 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.988 -1.046 -0.804 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -18.197 -1.542 -1.971 1.00 0.00 H new ATOM 322 N LEU A 24 -16.725 -1.170 -4.583 1.00 0.00 N ATOM 323 CA LEU A 24 -17.249 -1.119 -5.944 1.00 0.00 C ATOM 324 C LEU A 24 -16.144 -1.363 -6.969 1.00 0.00 C ATOM 325 O LEU A 24 -16.284 -1.010 -8.140 1.00 0.00 O ATOM 326 CB LEU A 24 -17.911 0.236 -6.206 1.00 0.00 C ATOM 327 CG LEU A 24 -18.725 0.796 -5.038 1.00 0.00 C ATOM 328 CD1 LEU A 24 -18.773 2.314 -5.103 1.00 0.00 C ATOM 329 CD2 LEU A 24 -20.131 0.215 -5.042 1.00 0.00 C ATOM 0 H LEU A 24 -16.319 -0.294 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 24 -17.993 -1.909 -6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -17.137 0.957 -6.468 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -18.565 0.142 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 24 -18.237 0.507 -4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -19.356 2.696 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.760 2.713 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -19.238 2.624 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -20.696 0.624 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -20.629 0.474 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.077 -0.870 -4.948 1.00 0.00 H new ATOM 341 N LEU A 25 -15.047 -1.970 -6.525 1.00 0.00 N ATOM 342 CA LEU A 25 -13.923 -2.259 -7.409 1.00 0.00 C ATOM 343 C LEU A 25 -13.964 -3.708 -7.884 1.00 0.00 C ATOM 344 O LEU A 25 -14.804 -4.493 -7.443 1.00 0.00 O ATOM 345 CB LEU A 25 -12.600 -1.983 -6.693 1.00 0.00 C ATOM 346 CG LEU A 25 -12.101 -0.539 -6.788 1.00 0.00 C ATOM 347 CD1 LEU A 25 -10.810 -0.368 -6.003 1.00 0.00 C ATOM 348 CD2 LEU A 25 -11.900 -0.142 -8.243 1.00 0.00 C ATOM 0 H LEU A 25 -14.913 -2.271 -5.560 1.00 0.00 H new ATOM 0 HA LEU A 25 -14.000 -1.607 -8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.713 -2.244 -5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.837 -2.643 -7.105 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.855 0.117 -6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.470 0.665 -6.082 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.986 -0.613 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.047 -1.033 -6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -11.545 0.887 -8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.164 -0.802 -8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.846 -0.226 -8.777 1.00 0.00 H new ATOM 360 N ASP A 26 -13.052 -4.056 -8.786 1.00 0.00 N ATOM 361 CA ASP A 26 -12.984 -5.410 -9.321 1.00 0.00 C ATOM 362 C ASP A 26 -11.709 -6.112 -8.863 1.00 0.00 C ATOM 363 O ASP A 26 -10.965 -5.592 -8.032 1.00 0.00 O ATOM 364 CB ASP A 26 -13.048 -5.382 -10.850 1.00 0.00 C ATOM 365 CG ASP A 26 -14.416 -5.765 -11.378 1.00 0.00 C ATOM 366 OD1 ASP A 26 -14.707 -6.978 -11.445 1.00 0.00 O ATOM 367 OD2 ASP A 26 -15.196 -4.854 -11.727 1.00 0.00 O ATOM 0 H ASP A 26 -12.350 -3.418 -9.162 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.840 -5.968 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.792 -4.383 -11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.301 -6.065 -11.255 1.00 0.00 H new ATOM 372 N SER A 27 -11.464 -7.298 -9.412 1.00 0.00 N ATOM 373 CA SER A 27 -10.281 -8.075 -9.060 1.00 0.00 C ATOM 374 C SER A 27 -9.018 -7.464 -9.666 1.00 0.00 C ATOM 375 O SER A 27 -7.910 -7.719 -9.195 1.00 0.00 O ATOM 376 CB SER A 27 -10.436 -9.522 -9.533 1.00 0.00 C ATOM 377 OG SER A 27 -11.160 -10.292 -8.589 1.00 0.00 O ATOM 0 H SER A 27 -12.069 -7.742 -10.103 1.00 0.00 H new ATOM 0 HA SER A 27 -10.182 -8.060 -7.975 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.951 -9.541 -10.494 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.452 -9.964 -9.690 1.00 0.00 H new ATOM 0 HG SER A 27 -11.247 -11.212 -8.915 1.00 0.00 H new ATOM 383 N SER A 28 -9.191 -6.659 -10.711 1.00 0.00 N ATOM 384 CA SER A 28 -8.061 -6.019 -11.374 1.00 0.00 C ATOM 385 C SER A 28 -7.598 -4.792 -10.595 1.00 0.00 C ATOM 386 O SER A 28 -6.409 -4.474 -10.569 1.00 0.00 O ATOM 387 CB SER A 28 -8.440 -5.620 -12.802 1.00 0.00 C ATOM 388 OG SER A 28 -7.959 -6.565 -13.741 1.00 0.00 O ATOM 0 H SER A 28 -10.100 -6.435 -11.115 1.00 0.00 H new ATOM 0 HA SER A 28 -7.239 -6.734 -11.411 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.524 -5.540 -12.885 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.029 -4.636 -13.029 1.00 0.00 H new ATOM 0 HG SER A 28 -8.216 -6.288 -14.645 1.00 0.00 H new ATOM 394 N GLN A 29 -8.544 -4.108 -9.962 1.00 0.00 N ATOM 395 CA GLN A 29 -8.234 -2.916 -9.182 1.00 0.00 C ATOM 396 C GLN A 29 -7.807 -3.287 -7.765 1.00 0.00 C ATOM 397 O GLN A 29 -6.995 -2.596 -7.151 1.00 0.00 O ATOM 398 CB GLN A 29 -9.447 -1.986 -9.136 1.00 0.00 C ATOM 399 CG GLN A 29 -9.910 -1.527 -10.508 1.00 0.00 C ATOM 400 CD GLN A 29 -11.019 -2.395 -11.070 1.00 0.00 C ATOM 401 OE1 GLN A 29 -12.165 -2.320 -10.629 1.00 0.00 O ATOM 402 NE2 GLN A 29 -10.681 -3.224 -12.051 1.00 0.00 N ATOM 0 H GLN A 29 -9.533 -4.359 -9.974 1.00 0.00 H new ATOM 0 HA GLN A 29 -7.405 -2.399 -9.666 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -10.269 -2.498 -8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.202 -1.112 -8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.258 -0.496 -10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.064 -1.536 -11.195 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.718 -3.253 -12.385 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.385 -3.832 -12.470 1.00 0.00 H new ATOM 411 N LYS A 30 -8.359 -4.382 -7.255 1.00 0.00 N ATOM 412 CA LYS A 30 -8.036 -4.846 -5.911 1.00 0.00 C ATOM 413 C LYS A 30 -6.624 -5.421 -5.857 1.00 0.00 C ATOM 414 O LYS A 30 -5.962 -5.372 -4.821 1.00 0.00 O ATOM 415 CB LYS A 30 -9.049 -5.900 -5.458 1.00 0.00 C ATOM 416 CG LYS A 30 -10.128 -5.352 -4.539 1.00 0.00 C ATOM 417 CD LYS A 30 -11.069 -6.450 -4.070 1.00 0.00 C ATOM 418 CE LYS A 30 -12.202 -5.890 -3.226 1.00 0.00 C ATOM 419 NZ LYS A 30 -13.124 -6.960 -2.753 1.00 0.00 N ATOM 0 H LYS A 30 -9.032 -4.965 -7.752 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.084 -3.992 -5.236 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.521 -6.340 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.520 -6.703 -4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -9.664 -4.875 -3.676 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.696 -4.582 -5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.481 -6.971 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.511 -7.185 -3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.788 -5.362 -2.367 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.763 -5.160 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.883 -6.537 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -13.539 -7.448 -3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.595 -7.644 -2.175 1.00 0.00 H new ATOM 433 N ARG A 31 -6.168 -5.967 -6.981 1.00 0.00 N ATOM 434 CA ARG A 31 -4.835 -6.553 -7.061 1.00 0.00 C ATOM 435 C ARG A 31 -3.798 -5.498 -7.435 1.00 0.00 C ATOM 436 O ARG A 31 -2.677 -5.508 -6.927 1.00 0.00 O ATOM 437 CB ARG A 31 -4.815 -7.689 -8.086 1.00 0.00 C ATOM 438 CG ARG A 31 -3.903 -8.842 -7.697 1.00 0.00 C ATOM 439 CD ARG A 31 -3.257 -9.475 -8.919 1.00 0.00 C ATOM 440 NE ARG A 31 -3.142 -10.925 -8.786 1.00 0.00 N ATOM 441 CZ ARG A 31 -2.875 -11.745 -9.802 1.00 0.00 C ATOM 442 NH1 ARG A 31 -2.695 -11.260 -11.024 1.00 0.00 N ATOM 443 NH2 ARG A 31 -2.787 -13.051 -9.594 1.00 0.00 N ATOM 0 H ARG A 31 -6.702 -6.015 -7.848 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.582 -6.953 -6.079 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.829 -8.067 -8.217 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.495 -7.292 -9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.129 -8.483 -7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.476 -9.595 -7.156 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.846 -9.237 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.267 -9.045 -9.070 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.274 -11.334 -7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.761 -10.256 -11.189 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.491 -11.892 -11.798 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.924 -13.428 -8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.583 -13.679 -10.372 1.00 0.00 H new ATOM 457 N LEU A 32 -4.180 -4.589 -8.327 1.00 0.00 N ATOM 458 CA LEU A 32 -3.284 -3.529 -8.769 1.00 0.00 C ATOM 459 C LEU A 32 -3.023 -2.534 -7.646 1.00 0.00 C ATOM 460 O LEU A 32 -1.893 -2.086 -7.446 1.00 0.00 O ATOM 461 CB LEU A 32 -3.877 -2.810 -9.980 1.00 0.00 C ATOM 462 CG LEU A 32 -3.662 -3.515 -11.319 1.00 0.00 C ATOM 463 CD1 LEU A 32 -4.632 -2.985 -12.364 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.224 -3.343 -11.785 1.00 0.00 C ATOM 0 H LEU A 32 -5.105 -4.566 -8.757 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.334 -3.982 -9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.948 -2.684 -9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.444 -1.811 -10.039 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.854 -4.579 -11.184 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.464 -3.499 -13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.655 -3.161 -12.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.473 -1.915 -12.499 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.088 -3.851 -12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.004 -2.282 -11.904 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.548 -3.773 -11.046 1.00 0.00 H new ATOM 476 N TYR A 33 -4.076 -2.195 -6.914 1.00 0.00 N ATOM 477 CA TYR A 33 -3.965 -1.255 -5.805 1.00 0.00 C ATOM 478 C TYR A 33 -3.162 -1.860 -4.659 1.00 0.00 C ATOM 479 O TYR A 33 -2.558 -1.142 -3.862 1.00 0.00 O ATOM 480 CB TYR A 33 -5.356 -0.852 -5.310 1.00 0.00 C ATOM 481 CG TYR A 33 -5.339 0.295 -4.324 1.00 0.00 C ATOM 482 CD1 TYR A 33 -5.164 0.065 -2.966 1.00 0.00 C ATOM 483 CD2 TYR A 33 -5.499 1.606 -4.753 1.00 0.00 C ATOM 484 CE1 TYR A 33 -5.148 1.110 -2.061 1.00 0.00 C ATOM 485 CE2 TYR A 33 -5.484 2.658 -3.855 1.00 0.00 C ATOM 486 CZ TYR A 33 -5.309 2.404 -2.511 1.00 0.00 C ATOM 487 OH TYR A 33 -5.294 3.447 -1.615 1.00 0.00 O ATOM 0 H TYR A 33 -5.017 -2.557 -7.068 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.443 -0.368 -6.163 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.971 -0.575 -6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.830 -1.715 -4.843 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.038 -0.947 -2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.637 1.808 -5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.010 0.914 -1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.609 3.672 -4.204 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.419 4.292 -2.095 1.00 0.00 H new ATOM 497 N GLU A 34 -3.158 -3.187 -4.582 1.00 0.00 N ATOM 498 CA GLU A 34 -2.429 -3.890 -3.533 1.00 0.00 C ATOM 499 C GLU A 34 -0.945 -3.993 -3.875 1.00 0.00 C ATOM 500 O GLU A 34 -0.096 -4.050 -2.986 1.00 0.00 O ATOM 501 CB GLU A 34 -3.015 -5.289 -3.326 1.00 0.00 C ATOM 502 CG GLU A 34 -3.992 -5.372 -2.164 1.00 0.00 C ATOM 503 CD GLU A 34 -4.292 -6.801 -1.758 1.00 0.00 C ATOM 504 OE1 GLU A 34 -3.475 -7.393 -1.022 1.00 0.00 O ATOM 505 OE2 GLU A 34 -5.344 -7.329 -2.174 1.00 0.00 O ATOM 0 H GLU A 34 -3.652 -3.797 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.531 -3.320 -2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.522 -5.601 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.201 -5.994 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.582 -4.834 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.921 -4.873 -2.439 1.00 0.00 H new ATOM 512 N GLU A 35 -0.639 -4.014 -5.168 1.00 0.00 N ATOM 513 CA GLU A 35 0.743 -4.109 -5.626 1.00 0.00 C ATOM 514 C GLU A 35 1.577 -2.950 -5.090 1.00 0.00 C ATOM 515 O GLU A 35 2.636 -3.159 -4.496 1.00 0.00 O ATOM 516 CB GLU A 35 0.796 -4.126 -7.155 1.00 0.00 C ATOM 517 CG GLU A 35 0.646 -5.515 -7.754 1.00 0.00 C ATOM 518 CD GLU A 35 1.642 -5.781 -8.866 1.00 0.00 C ATOM 519 OE1 GLU A 35 2.058 -4.811 -9.535 1.00 0.00 O ATOM 520 OE2 GLU A 35 2.005 -6.958 -9.069 1.00 0.00 O ATOM 0 H GLU A 35 -1.329 -3.967 -5.918 1.00 0.00 H new ATOM 0 HA GLU A 35 1.161 -5.040 -5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.006 -3.484 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.744 -3.699 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.775 -6.261 -6.970 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.366 -5.632 -8.142 1.00 0.00 H new ATOM 527 N VAL A 36 1.095 -1.731 -5.302 1.00 0.00 N ATOM 528 CA VAL A 36 1.796 -0.540 -4.840 1.00 0.00 C ATOM 529 C VAL A 36 1.874 -0.505 -3.316 1.00 0.00 C ATOM 530 O VAL A 36 2.825 0.029 -2.746 1.00 0.00 O ATOM 531 CB VAL A 36 1.111 0.747 -5.336 1.00 0.00 C ATOM 532 CG1 VAL A 36 1.325 0.924 -6.831 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.373 0.723 -5.002 1.00 0.00 C ATOM 0 H VAL A 36 0.220 -1.542 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 36 2.803 -0.588 -5.254 1.00 0.00 H new ATOM 0 HB VAL A 36 1.562 1.598 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.834 1.839 -7.163 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.393 0.989 -7.041 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.902 0.072 -7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.841 1.640 -5.360 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.841 -0.135 -5.484 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.502 0.647 -3.922 1.00 0.00 H new ATOM 543 N MET A 37 0.868 -1.078 -2.664 1.00 0.00 N ATOM 544 CA MET A 37 0.822 -1.111 -1.207 1.00 0.00 C ATOM 545 C MET A 37 1.934 -1.994 -0.648 1.00 0.00 C ATOM 546 O MET A 37 2.444 -1.746 0.445 1.00 0.00 O ATOM 547 CB MET A 37 -0.538 -1.622 -0.731 1.00 0.00 C ATOM 548 CG MET A 37 -1.635 -0.572 -0.782 1.00 0.00 C ATOM 549 SD MET A 37 -1.791 0.345 0.762 1.00 0.00 S ATOM 550 CE MET A 37 -0.651 1.696 0.470 1.00 0.00 C ATOM 0 H MET A 37 0.074 -1.526 -3.121 1.00 0.00 H new ATOM 0 HA MET A 37 0.970 -0.095 -0.840 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.832 -2.473 -1.346 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.442 -1.986 0.292 1.00 0.00 H new ATOM 0 HG2 MET A 37 -1.428 0.125 -1.594 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.585 -1.055 -1.011 1.00 0.00 H new ATOM 0 HE1 MET A 37 -1.034 2.603 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.321 1.450 0.897 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.546 1.858 -0.603 1.00 0.00 H new ATOM 560 N LEU A 38 2.304 -3.021 -1.404 1.00 0.00 N ATOM 561 CA LEU A 38 3.355 -3.941 -0.983 1.00 0.00 C ATOM 562 C LEU A 38 4.730 -3.295 -1.122 1.00 0.00 C ATOM 563 O LEU A 38 5.523 -3.293 -0.180 1.00 0.00 O ATOM 564 CB LEU A 38 3.297 -5.228 -1.809 1.00 0.00 C ATOM 565 CG LEU A 38 2.076 -6.111 -1.545 1.00 0.00 C ATOM 566 CD1 LEU A 38 1.610 -6.777 -2.830 1.00 0.00 C ATOM 567 CD2 LEU A 38 2.396 -7.157 -0.487 1.00 0.00 C ATOM 0 H LEU A 38 1.892 -3.238 -2.312 1.00 0.00 H new ATOM 0 HA LEU A 38 3.192 -4.184 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.314 -4.964 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.197 -5.810 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 38 1.268 -5.480 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.741 -7.401 -2.622 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.342 -6.013 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.413 -7.396 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.517 -7.777 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.219 -7.783 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.682 -6.661 0.440 1.00 0.00 H new ATOM 579 N GLU A 39 5.005 -2.748 -2.301 1.00 0.00 N ATOM 580 CA GLU A 39 6.285 -2.100 -2.564 1.00 0.00 C ATOM 581 C GLU A 39 6.442 -0.843 -1.712 1.00 0.00 C ATOM 582 O GLU A 39 7.529 -0.550 -1.215 1.00 0.00 O ATOM 583 CB GLU A 39 6.406 -1.747 -4.047 1.00 0.00 C ATOM 584 CG GLU A 39 7.374 -2.639 -4.807 1.00 0.00 C ATOM 585 CD GLU A 39 7.596 -2.178 -6.233 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.797 -2.560 -7.113 1.00 0.00 O ATOM 587 OE2 GLU A 39 8.570 -1.432 -6.472 1.00 0.00 O ATOM 0 H GLU A 39 4.359 -2.740 -3.090 1.00 0.00 H new ATOM 0 HA GLU A 39 7.080 -2.797 -2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.422 -1.816 -4.510 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.730 -0.711 -4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.330 -2.660 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.992 -3.660 -4.815 1.00 0.00 H new ATOM 594 N THR A 40 5.349 -0.105 -1.549 1.00 0.00 N ATOM 595 CA THR A 40 5.366 1.121 -0.758 1.00 0.00 C ATOM 596 C THR A 40 4.998 0.836 0.696 1.00 0.00 C ATOM 597 O THR A 40 4.131 1.497 1.269 1.00 0.00 O ATOM 598 CB THR A 40 4.401 2.148 -1.352 1.00 0.00 C ATOM 599 OG1 THR A 40 4.529 2.201 -2.762 1.00 0.00 O ATOM 600 CG2 THR A 40 4.615 3.549 -0.819 1.00 0.00 C ATOM 0 H THR A 40 4.441 -0.334 -1.953 1.00 0.00 H new ATOM 0 HA THR A 40 6.377 1.528 -0.783 1.00 0.00 H new ATOM 0 HB THR A 40 3.406 1.812 -1.058 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.982 1.496 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.898 4.228 -1.281 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.473 3.553 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.628 3.877 -1.053 1.00 0.00 H new ATOM 608 N TYR A 41 5.663 -0.151 1.286 1.00 0.00 N ATOM 609 CA TYR A 41 5.407 -0.524 2.673 1.00 0.00 C ATOM 610 C TYR A 41 6.388 -1.595 3.137 1.00 0.00 C ATOM 611 O TYR A 41 7.145 -1.388 4.084 1.00 0.00 O ATOM 612 CB TYR A 41 3.971 -1.028 2.830 1.00 0.00 C ATOM 613 CG TYR A 41 3.459 -0.962 4.252 1.00 0.00 C ATOM 614 CD1 TYR A 41 3.602 0.193 5.010 1.00 0.00 C ATOM 615 CD2 TYR A 41 2.833 -2.056 4.835 1.00 0.00 C ATOM 616 CE1 TYR A 41 3.136 0.257 6.309 1.00 0.00 C ATOM 617 CE2 TYR A 41 2.363 -2.000 6.134 1.00 0.00 C ATOM 618 CZ TYR A 41 2.518 -0.843 6.866 1.00 0.00 C ATOM 619 OH TYR A 41 2.051 -0.783 8.159 1.00 0.00 O ATOM 0 H TYR A 41 6.383 -0.707 0.826 1.00 0.00 H new ATOM 0 HA TYR A 41 5.544 0.362 3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 41 3.316 -0.439 2.189 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.916 -2.059 2.480 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.086 1.056 4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 41 2.711 -2.965 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.255 1.163 6.885 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.877 -2.859 6.573 1.00 0.00 H new ATOM 0 HH TYR A 41 1.641 -1.640 8.399 1.00 0.00 H new ATOM 629 N GLN A 42 6.367 -2.741 2.464 1.00 0.00 N ATOM 630 CA GLN A 42 7.254 -3.845 2.807 1.00 0.00 C ATOM 631 C GLN A 42 8.713 -3.469 2.563 1.00 0.00 C ATOM 632 O GLN A 42 9.615 -3.975 3.231 1.00 0.00 O ATOM 633 CB GLN A 42 6.889 -5.090 1.996 1.00 0.00 C ATOM 634 CG GLN A 42 6.634 -6.321 2.852 1.00 0.00 C ATOM 635 CD GLN A 42 5.395 -7.083 2.426 1.00 0.00 C ATOM 636 OE1 GLN A 42 5.472 -8.245 2.028 1.00 0.00 O ATOM 637 NE2 GLN A 42 4.242 -6.429 2.508 1.00 0.00 N ATOM 0 H GLN A 42 5.745 -2.929 1.678 1.00 0.00 H new ATOM 0 HA GLN A 42 7.129 -4.063 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.999 -4.879 1.403 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.695 -5.306 1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.499 -6.982 2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.529 -6.019 3.894 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.225 -5.466 2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.374 -6.890 2.235 1.00 0.00 H new ATOM 646 N ASN A 43 8.937 -2.578 1.603 1.00 0.00 N ATOM 647 CA ASN A 43 10.286 -2.133 1.272 1.00 0.00 C ATOM 648 C ASN A 43 10.596 -0.795 1.933 1.00 0.00 C ATOM 649 O ASN A 43 11.363 0.008 1.402 1.00 0.00 O ATOM 650 CB ASN A 43 10.449 -2.019 -0.245 1.00 0.00 C ATOM 651 CG ASN A 43 10.245 -3.345 -0.950 1.00 0.00 C ATOM 652 OD1 ASN A 43 11.193 -3.944 -1.457 1.00 0.00 O ATOM 653 ND2 ASN A 43 9.001 -3.810 -0.986 1.00 0.00 N ATOM 0 H ASN A 43 8.202 -2.150 1.040 1.00 0.00 H new ATOM 0 HA ASN A 43 10.990 -2.874 1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.734 -1.292 -0.631 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.445 -1.639 -0.473 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.801 -4.697 -1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.246 -3.280 -0.552 1.00 0.00 H new ATOM 660 N LEU A 44 9.993 -0.561 3.094 1.00 0.00 N ATOM 661 CA LEU A 44 10.205 0.681 3.828 1.00 0.00 C ATOM 662 C LEU A 44 11.348 0.534 4.829 1.00 0.00 C ATOM 663 O LEU A 44 12.062 1.494 5.117 1.00 0.00 O ATOM 664 CB LEU A 44 8.924 1.093 4.556 1.00 0.00 C ATOM 665 CG LEU A 44 7.887 1.807 3.687 1.00 0.00 C ATOM 666 CD1 LEU A 44 6.677 2.208 4.519 1.00 0.00 C ATOM 667 CD2 LEU A 44 8.503 3.026 3.018 1.00 0.00 C ATOM 0 H LEU A 44 9.354 -1.215 3.546 1.00 0.00 H new ATOM 0 HA LEU A 44 10.472 1.457 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.465 0.202 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.190 1.746 5.387 1.00 0.00 H new ATOM 0 HG LEU A 44 7.555 1.118 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.950 2.715 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.222 1.317 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.991 2.880 5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.752 3.522 2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 44 8.862 3.717 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 44 9.337 2.714 2.390 1.00 0.00 H new ATOM 679 N THR A 45 11.514 -0.678 5.356 1.00 0.00 N ATOM 680 CA THR A 45 12.571 -0.958 6.328 1.00 0.00 C ATOM 681 C THR A 45 12.272 -0.316 7.682 1.00 0.00 C ATOM 682 O THR A 45 13.114 -0.330 8.580 1.00 0.00 O ATOM 683 CB THR A 45 13.919 -0.459 5.807 1.00 0.00 C ATOM 684 OG1 THR A 45 14.075 -0.775 4.435 1.00 0.00 O ATOM 685 CG2 THR A 45 15.101 -1.043 6.550 1.00 0.00 C ATOM 0 H THR A 45 10.930 -1.482 5.127 1.00 0.00 H new ATOM 0 HA THR A 45 12.613 -2.039 6.465 1.00 0.00 H new ATOM 0 HB THR A 45 13.908 0.619 5.965 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.943 -0.446 4.120 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.026 -0.648 6.130 1.00 0.00 H new ATOM 0 HG22 THR A 45 15.037 -0.774 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.093 -2.128 6.451 1.00 0.00 H new ATOM 693 N ASP A 46 11.075 0.245 7.827 1.00 0.00 N ATOM 694 CA ASP A 46 10.678 0.888 9.074 1.00 0.00 C ATOM 695 C ASP A 46 9.264 0.477 9.470 1.00 0.00 C ATOM 696 O ASP A 46 8.310 1.231 9.275 1.00 0.00 O ATOM 697 CB ASP A 46 10.762 2.408 8.939 1.00 0.00 C ATOM 698 CG ASP A 46 10.517 3.121 10.255 1.00 0.00 C ATOM 699 OD1 ASP A 46 11.492 3.333 11.007 1.00 0.00 O ATOM 700 OD2 ASP A 46 9.350 3.466 10.535 1.00 0.00 O ATOM 0 H ASP A 46 10.364 0.267 7.096 1.00 0.00 H new ATOM 0 HA ASP A 46 11.364 0.563 9.856 1.00 0.00 H new ATOM 0 HB2 ASP A 46 11.746 2.682 8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 46 10.031 2.746 8.205 1.00 0.00 H new ATOM 705 N ILE A 47 9.135 -0.722 10.028 1.00 0.00 N ATOM 706 CA ILE A 47 7.837 -1.232 10.452 1.00 0.00 C ATOM 707 C ILE A 47 7.876 -1.686 11.909 1.00 0.00 C ATOM 708 O ILE A 47 7.729 -2.872 12.207 1.00 0.00 O ATOM 709 CB ILE A 47 7.379 -2.409 9.567 1.00 0.00 C ATOM 710 CG1 ILE A 47 7.478 -2.035 8.086 1.00 0.00 C ATOM 711 CG2 ILE A 47 5.956 -2.817 9.921 1.00 0.00 C ATOM 712 CD1 ILE A 47 8.044 -3.140 7.220 1.00 0.00 C ATOM 0 H ILE A 47 9.914 -1.359 10.197 1.00 0.00 H new ATOM 0 HA ILE A 47 7.124 -0.414 10.349 1.00 0.00 H new ATOM 0 HB ILE A 47 8.037 -3.258 9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.486 -1.769 7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.104 -1.148 7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.648 -3.649 9.288 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.914 -3.122 10.967 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.285 -1.972 9.763 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.085 -2.805 6.184 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.049 -3.391 7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.406 -4.021 7.291 1.00 0.00 H new ATOM 724 N GLY A 48 8.075 -0.733 12.813 1.00 0.00 N ATOM 725 CA GLY A 48 8.130 -1.052 14.227 1.00 0.00 C ATOM 726 C GLY A 48 6.758 -1.064 14.872 1.00 0.00 C ATOM 727 O GLY A 48 6.302 -0.047 15.394 1.00 0.00 O ATOM 0 H GLY A 48 8.199 0.255 12.591 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.598 -2.027 14.358 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.761 -0.324 14.736 1.00 0.00 H new ATOM 731 N TYR A 49 6.099 -2.217 14.836 1.00 0.00 N ATOM 732 CA TYR A 49 4.771 -2.358 15.422 1.00 0.00 C ATOM 733 C TYR A 49 4.332 -3.818 15.429 1.00 0.00 C ATOM 734 O TYR A 49 4.039 -4.394 14.379 1.00 0.00 O ATOM 735 CB TYR A 49 3.757 -1.511 14.651 1.00 0.00 C ATOM 736 CG TYR A 49 2.619 -1.003 15.505 1.00 0.00 C ATOM 737 CD1 TYR A 49 1.918 -1.860 16.344 1.00 0.00 C ATOM 738 CD2 TYR A 49 2.244 0.335 15.472 1.00 0.00 C ATOM 739 CE1 TYR A 49 0.877 -1.398 17.126 1.00 0.00 C ATOM 740 CE2 TYR A 49 1.203 0.804 16.252 1.00 0.00 C ATOM 741 CZ TYR A 49 0.524 -0.066 17.076 1.00 0.00 C ATOM 742 OH TYR A 49 -0.514 0.397 17.854 1.00 0.00 O ATOM 0 H TYR A 49 6.463 -3.068 14.407 1.00 0.00 H new ATOM 0 HA TYR A 49 4.817 -2.007 16.453 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.272 -0.661 14.204 1.00 0.00 H new ATOM 0 HB3 TYR A 49 3.349 -2.104 13.832 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.191 -2.904 16.386 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.774 1.020 14.827 1.00 0.00 H new ATOM 0 HE1 TYR A 49 0.342 -2.077 17.774 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.924 1.847 16.215 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.633 1.358 17.702 1.00 0.00 H new ATOM 752 N ASN A 50 4.286 -4.412 16.617 1.00 0.00 N ATOM 753 CA ASN A 50 3.881 -5.806 16.760 1.00 0.00 C ATOM 754 C ASN A 50 2.625 -5.922 17.617 1.00 0.00 C ATOM 755 O ASN A 50 2.648 -5.627 18.813 1.00 0.00 O ATOM 756 CB ASN A 50 5.014 -6.626 17.379 1.00 0.00 C ATOM 757 CG ASN A 50 4.983 -8.078 16.940 1.00 0.00 C ATOM 758 OD1 ASN A 50 5.718 -8.480 16.039 1.00 0.00 O ATOM 759 ND2 ASN A 50 4.130 -8.870 17.578 1.00 0.00 N ATOM 0 H ASN A 50 4.524 -3.950 17.495 1.00 0.00 H new ATOM 0 HA ASN A 50 3.658 -6.198 15.768 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.972 -6.186 17.101 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.943 -6.576 18.466 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.065 -9.856 17.327 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.540 -8.492 18.319 1.00 0.00 H new ATOM 766 N TRP A 51 1.530 -6.352 17.000 1.00 0.00 N ATOM 767 CA TRP A 51 0.264 -6.507 17.708 1.00 0.00 C ATOM 768 C TRP A 51 -0.458 -7.780 17.270 1.00 0.00 C ATOM 769 O TRP A 51 -1.674 -7.896 17.423 1.00 0.00 O ATOM 770 CB TRP A 51 -0.631 -5.292 17.461 1.00 0.00 C ATOM 771 CG TRP A 51 -0.971 -5.092 16.016 1.00 0.00 C ATOM 772 CD1 TRP A 51 -0.201 -4.482 15.069 1.00 0.00 C ATOM 773 CD2 TRP A 51 -2.173 -5.503 15.353 1.00 0.00 C ATOM 774 NE1 TRP A 51 -0.849 -4.490 13.858 1.00 0.00 N ATOM 775 CE2 TRP A 51 -2.062 -5.111 14.006 1.00 0.00 C ATOM 776 CE3 TRP A 51 -3.332 -6.167 15.769 1.00 0.00 C ATOM 777 CZ2 TRP A 51 -3.064 -5.359 13.073 1.00 0.00 C ATOM 778 CZ3 TRP A 51 -4.326 -6.413 14.841 1.00 0.00 C ATOM 779 CH2 TRP A 51 -4.187 -6.010 13.506 1.00 0.00 C ATOM 0 H TRP A 51 1.493 -6.599 16.011 1.00 0.00 H new ATOM 0 HA TRP A 51 0.481 -6.584 18.773 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -1.553 -5.406 18.032 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.132 -4.399 17.837 1.00 0.00 H new ATOM 0 HD1 TRP A 51 0.775 -4.055 15.246 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -0.486 -4.097 12.989 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.448 -6.481 16.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -2.959 -5.049 12.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.226 -6.925 15.150 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.982 -6.217 12.805 1.00 0.00 H new ATOM 790 N GLN A 52 0.296 -8.730 16.726 1.00 0.00 N ATOM 791 CA GLN A 52 -0.278 -9.992 16.269 1.00 0.00 C ATOM 792 C GLN A 52 0.105 -11.133 17.204 1.00 0.00 C ATOM 793 O GLN A 52 0.282 -12.271 16.771 1.00 0.00 O ATOM 794 CB GLN A 52 0.191 -10.304 14.847 1.00 0.00 C ATOM 795 CG GLN A 52 0.067 -9.126 13.892 1.00 0.00 C ATOM 796 CD GLN A 52 1.413 -8.589 13.448 1.00 0.00 C ATOM 797 OE1 GLN A 52 2.230 -9.319 12.886 1.00 0.00 O ATOM 798 NE2 GLN A 52 1.651 -7.308 13.700 1.00 0.00 N ATOM 0 H GLN A 52 1.304 -8.651 16.591 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.363 -9.891 16.273 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.232 -10.627 14.879 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.390 -11.140 14.457 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.504 -9.432 13.016 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.496 -8.328 14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.945 -6.741 14.168 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.540 -6.891 13.425 1.00 0.00 H new ATOM 807 N ASP A 53 0.232 -10.821 18.490 1.00 0.00 N ATOM 808 CA ASP A 53 0.593 -11.821 19.487 1.00 0.00 C ATOM 809 C ASP A 53 -0.170 -11.593 20.788 1.00 0.00 C ATOM 810 O ASP A 53 -0.139 -10.501 21.354 1.00 0.00 O ATOM 811 CB ASP A 53 2.099 -11.785 19.752 1.00 0.00 C ATOM 812 CG ASP A 53 2.590 -13.028 20.468 1.00 0.00 C ATOM 813 OD1 ASP A 53 2.565 -13.043 21.716 1.00 0.00 O ATOM 814 OD2 ASP A 53 2.999 -13.987 19.779 1.00 0.00 O ATOM 0 H ASP A 53 0.090 -9.883 18.865 1.00 0.00 H new ATOM 0 HA ASP A 53 0.323 -12.802 19.096 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.629 -11.681 18.805 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.339 -10.906 20.350 1.00 0.00 H new ATOM 819 N HIS A 54 -0.854 -12.632 21.256 1.00 0.00 N ATOM 820 CA HIS A 54 -1.626 -12.546 22.491 1.00 0.00 C ATOM 821 C HIS A 54 -1.158 -13.591 23.498 1.00 0.00 C ATOM 822 O HIS A 54 -0.696 -13.254 24.588 1.00 0.00 O ATOM 823 CB HIS A 54 -3.116 -12.732 22.200 1.00 0.00 C ATOM 824 CG HIS A 54 -3.671 -11.720 21.245 1.00 0.00 C ATOM 825 ND1 HIS A 54 -4.745 -10.910 21.548 1.00 0.00 N ATOM 826 CD2 HIS A 54 -3.294 -11.388 19.987 1.00 0.00 C ATOM 827 CE1 HIS A 54 -5.005 -10.125 20.516 1.00 0.00 C ATOM 828 NE2 HIS A 54 -4.139 -10.395 19.558 1.00 0.00 N ATOM 0 H HIS A 54 -0.890 -13.543 20.799 1.00 0.00 H new ATOM 0 HA HIS A 54 -1.468 -11.557 22.921 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.276 -13.730 21.792 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.670 -12.677 23.137 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.480 -11.823 19.426 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -5.793 -9.388 20.466 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -4.103 -9.940 18.646 1.00 0.00 H new ATOM 836 N HIS A 55 -1.281 -14.861 23.125 1.00 0.00 N ATOM 837 CA HIS A 55 -0.871 -15.956 23.996 1.00 0.00 C ATOM 838 C HIS A 55 0.630 -16.207 23.885 1.00 0.00 C ATOM 839 O HIS A 55 1.316 -15.581 23.077 1.00 0.00 O ATOM 840 CB HIS A 55 -1.639 -17.230 23.643 1.00 0.00 C ATOM 841 CG HIS A 55 -3.102 -17.152 23.954 1.00 0.00 C ATOM 842 ND1 HIS A 55 -3.901 -18.266 24.102 1.00 0.00 N ATOM 843 CD2 HIS A 55 -3.911 -16.083 24.147 1.00 0.00 C ATOM 844 CE1 HIS A 55 -5.137 -17.887 24.372 1.00 0.00 C ATOM 845 NE2 HIS A 55 -5.170 -16.567 24.404 1.00 0.00 N ATOM 0 H HIS A 55 -1.661 -15.157 22.226 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.099 -15.674 25.024 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -1.512 -17.438 22.581 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -1.204 -18.069 24.187 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.620 -15.044 24.106 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.978 -18.544 24.538 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -5.997 -15.999 24.590 1.00 0.00 H new ATOM 853 N ILE A 56 1.132 -17.128 24.701 1.00 0.00 N ATOM 854 CA ILE A 56 2.551 -17.462 24.694 1.00 0.00 C ATOM 855 C ILE A 56 2.904 -18.327 23.489 1.00 0.00 C ATOM 856 O ILE A 56 2.408 -19.445 23.348 1.00 0.00 O ATOM 857 CB ILE A 56 2.961 -18.197 25.987 1.00 0.00 C ATOM 858 CG1 ILE A 56 4.471 -18.441 26.007 1.00 0.00 C ATOM 859 CG2 ILE A 56 2.204 -19.511 26.115 1.00 0.00 C ATOM 860 CD1 ILE A 56 5.287 -17.174 26.142 1.00 0.00 C ATOM 0 H ILE A 56 0.577 -17.656 25.375 1.00 0.00 H new ATOM 0 HA ILE A 56 3.100 -16.522 24.633 1.00 0.00 H new ATOM 0 HB ILE A 56 2.703 -17.568 26.839 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.712 -19.108 26.834 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.760 -18.954 25.089 1.00 0.00 H new ATOM 0 HG21 ILE A 56 2.505 -20.017 27.032 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.133 -19.312 26.145 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.431 -20.147 25.259 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.348 -17.424 26.149 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.075 -16.514 25.301 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.026 -16.671 27.073 1.00 0.00 H new ATOM 872 N GLU A 57 3.763 -17.802 22.621 1.00 0.00 N ATOM 873 CA GLU A 57 4.183 -18.527 21.427 1.00 0.00 C ATOM 874 C GLU A 57 5.279 -19.535 21.757 1.00 0.00 C ATOM 875 O GLU A 57 6.058 -19.338 22.690 1.00 0.00 O ATOM 876 CB GLU A 57 4.678 -17.549 20.360 1.00 0.00 C ATOM 877 CG GLU A 57 5.919 -16.776 20.773 1.00 0.00 C ATOM 878 CD GLU A 57 6.272 -15.674 19.792 1.00 0.00 C ATOM 879 OE1 GLU A 57 6.453 -15.979 18.596 1.00 0.00 O ATOM 880 OE2 GLU A 57 6.368 -14.504 20.223 1.00 0.00 O ATOM 0 H GLU A 57 4.182 -16.877 22.722 1.00 0.00 H new ATOM 0 HA GLU A 57 3.321 -19.071 21.041 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.892 -18.101 19.444 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.881 -16.843 20.128 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.761 -16.342 21.760 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.760 -17.464 20.859 1.00 0.00 H new ATOM 887 N GLU A 58 5.334 -20.614 20.985 1.00 0.00 N ATOM 888 CA GLU A 58 6.337 -21.653 21.194 1.00 0.00 C ATOM 889 C GLU A 58 7.620 -21.335 20.432 1.00 0.00 C ATOM 890 O GLU A 58 8.709 -21.744 20.833 1.00 0.00 O ATOM 891 CB GLU A 58 5.792 -23.013 20.751 1.00 0.00 C ATOM 892 CG GLU A 58 6.329 -24.178 21.566 1.00 0.00 C ATOM 893 CD GLU A 58 5.315 -25.294 21.726 1.00 0.00 C ATOM 894 OE1 GLU A 58 5.161 -26.095 20.780 1.00 0.00 O ATOM 895 OE2 GLU A 58 4.675 -25.366 22.795 1.00 0.00 O ATOM 0 H GLU A 58 4.697 -20.793 20.209 1.00 0.00 H new ATOM 0 HA GLU A 58 6.568 -21.689 22.259 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.704 -23.000 20.823 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.040 -23.170 19.701 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.224 -24.572 21.084 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.628 -23.820 22.551 1.00 0.00 H new ATOM 902 N SER A 59 7.484 -20.600 19.331 1.00 0.00 N ATOM 903 CA SER A 59 8.632 -20.227 18.512 1.00 0.00 C ATOM 904 C SER A 59 9.291 -21.460 17.902 1.00 0.00 C ATOM 905 O SER A 59 10.260 -21.991 18.444 1.00 0.00 O ATOM 906 CB SER A 59 9.652 -19.451 19.349 1.00 0.00 C ATOM 907 OG SER A 59 10.530 -18.707 18.522 1.00 0.00 O ATOM 0 H SER A 59 6.590 -20.251 18.986 1.00 0.00 H new ATOM 0 HA SER A 59 8.276 -19.590 17.702 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.131 -18.778 20.030 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.226 -20.145 19.963 1.00 0.00 H new ATOM 0 HG SER A 59 11.171 -18.219 19.081 1.00 0.00 H new ATOM 913 N GLY A 60 8.758 -21.909 16.770 1.00 0.00 N ATOM 914 CA GLY A 60 9.308 -23.074 16.102 1.00 0.00 C ATOM 915 C GLY A 60 9.866 -22.747 14.729 1.00 0.00 C ATOM 916 O GLY A 60 10.993 -22.263 14.617 1.00 0.00 O ATOM 0 H GLY A 60 7.955 -21.487 16.304 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.098 -23.503 16.719 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.532 -23.833 16.004 1.00 0.00 H new ATOM 920 N PRO A 61 9.098 -22.998 13.654 1.00 0.00 N ATOM 921 CA PRO A 61 9.538 -22.720 12.285 1.00 0.00 C ATOM 922 C PRO A 61 10.025 -21.286 12.113 1.00 0.00 C ATOM 923 O PRO A 61 11.225 -21.038 11.990 1.00 0.00 O ATOM 924 CB PRO A 61 8.283 -22.958 11.430 1.00 0.00 C ATOM 925 CG PRO A 61 7.150 -23.088 12.395 1.00 0.00 C ATOM 926 CD PRO A 61 7.746 -23.570 13.685 1.00 0.00 C ATOM 0 HA PRO A 61 10.381 -23.351 12.004 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.117 -22.130 10.741 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.387 -23.859 10.826 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.646 -22.131 12.533 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.404 -23.791 12.025 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.179 -23.221 14.548 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.769 -24.658 13.738 1.00 0.00 H new ATOM 934 N SER A 62 9.086 -20.347 12.097 1.00 0.00 N ATOM 935 CA SER A 62 9.420 -18.941 11.932 1.00 0.00 C ATOM 936 C SER A 62 10.328 -18.460 13.059 1.00 0.00 C ATOM 937 O SER A 62 10.190 -18.886 14.205 1.00 0.00 O ATOM 938 CB SER A 62 8.148 -18.093 11.885 1.00 0.00 C ATOM 939 OG SER A 62 7.262 -18.557 10.881 1.00 0.00 O ATOM 0 H SER A 62 8.089 -20.536 12.196 1.00 0.00 H new ATOM 0 HA SER A 62 9.955 -18.830 10.989 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.651 -18.123 12.855 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.408 -17.052 11.692 1.00 0.00 H new ATOM 0 HG SER A 62 6.456 -17.999 10.873 1.00 0.00 H new ATOM 945 N SER A 63 11.255 -17.568 12.726 1.00 0.00 N ATOM 946 CA SER A 63 12.185 -17.029 13.711 1.00 0.00 C ATOM 947 C SER A 63 11.659 -15.722 14.298 1.00 0.00 C ATOM 948 O SER A 63 11.063 -14.909 13.592 1.00 0.00 O ATOM 949 CB SER A 63 13.558 -16.800 13.075 1.00 0.00 C ATOM 950 OG SER A 63 13.437 -16.179 11.807 1.00 0.00 O ATOM 0 H SER A 63 11.382 -17.203 11.782 1.00 0.00 H new ATOM 0 HA SER A 63 12.282 -17.755 14.518 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.167 -16.178 13.731 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.076 -17.753 12.968 1.00 0.00 H new ATOM 0 HG SER A 63 14.328 -16.042 11.423 1.00 0.00 H new ATOM 956 N GLY A 64 11.885 -15.529 15.593 1.00 0.00 N ATOM 957 CA GLY A 64 11.428 -14.320 16.255 1.00 0.00 C ATOM 958 C GLY A 64 12.555 -13.570 16.935 1.00 0.00 C ATOM 959 O GLY A 64 12.470 -13.358 18.163 1.00 0.00 O ATOM 960 OXT GLY A 64 13.523 -13.194 16.241 1.00 0.00 O ATOM 0 H GLY A 64 12.377 -16.188 16.197 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.951 -13.667 15.524 1.00 0.00 H new ATOM 0 HA3 GLY A 64 10.670 -14.579 16.994 1.00 0.00 H new TER 964 GLY A 64