USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 570 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 87 ASN : amide:sc= -10.3! C(o=-19!,f=-20!) USER MOD Set 1.2: A 90 GLN : amide:sc= -8.96! C(o=-19!,f=-20!) USER MOD Set 2.1: A 62 TYR OH : rot 30:sc= -0.928 USER MOD Set 2.2: A 63 ASN : amide:sc= -1.26 K(o=-2.2,f=-1.6) USER MOD Set 3.1: A 51 SER OG : rot 118:sc= 0.631 USER MOD Set 3.2: A 84 THR OG1 : rot -175:sc= 0.278 USER MOD Set 3.3: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 3 HIS : no HD1:sc= -2.02 X(o=-2.7,f=-2.9) USER MOD Set 4.2: A 13 SER OG : rot 180:sc= -0.699 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 8 SER OG : rot 54:sc= 0.98 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 133:sc= -4.39! (180deg=-6.47!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 131:sc= 0.00949 (180deg=-0.129) USER MOD Single : A 26 GLN : amide:sc= -0.736 K(o=-0.74,f=-4!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -2.48 K(o=-2.5,f=-4.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 30:sc= -1.12 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.272 K(o=-0.27,f=-2.1!) USER MOD Single : A 52 ASN : amide:sc= -1.35! C(o=-1.3!,f=-1.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 165:sc= -0.0102 USER MOD Single : A 69 SER OG : rot -13:sc= 0.879 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.162! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.476 K(o=-0.48,f=-1.2!) USER MOD Single : A 83 SER OG : rot -97:sc= -2.04! USER MOD Single : A 86 SER OG : rot 180:sc= 0.104 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.699 K(o=-0.7,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 110:sc= 0.785 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 48.182 4.904 -39.610 1.00 0.00 N ATOM 32 CA HIS A 3 47.181 4.058 -38.977 1.00 0.00 C ATOM 33 C HIS A 3 47.249 4.185 -37.459 1.00 0.00 C ATOM 34 O HIS A 3 48.316 4.431 -36.895 1.00 0.00 O ATOM 35 CB HIS A 3 47.386 2.604 -39.391 1.00 0.00 C ATOM 36 CG HIS A 3 46.398 2.126 -40.409 1.00 0.00 C ATOM 37 ND1 HIS A 3 46.639 2.169 -41.767 1.00 0.00 N ATOM 38 CD2 HIS A 3 45.163 1.591 -40.264 1.00 0.00 C ATOM 39 CE1 HIS A 3 45.593 1.683 -42.413 1.00 0.00 C ATOM 40 NE2 HIS A 3 44.685 1.324 -41.524 1.00 0.00 N ATOM 0 HA HIS A 3 46.195 4.386 -39.306 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.393 2.488 -39.792 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.319 1.970 -38.507 1.00 0.00 H new ATOM 0 HD2 HIS A 3 44.649 1.408 -39.332 1.00 0.00 H new ATOM 0 HE1 HIS A 3 45.497 1.595 -43.485 1.00 0.00 H new ATOM 0 HE2 HIS A 3 43.776 0.915 -41.738 1.00 0.00 H new ATOM 49 N CYS A 4 46.107 4.016 -36.801 1.00 0.00 N ATOM 50 CA CYS A 4 46.045 4.114 -35.347 1.00 0.00 C ATOM 51 C CYS A 4 45.475 2.840 -34.737 1.00 0.00 C ATOM 52 O CYS A 4 44.396 2.390 -35.113 1.00 0.00 O ATOM 53 CB CYS A 4 45.197 5.319 -34.933 1.00 0.00 C ATOM 54 SG CYS A 4 43.874 5.740 -36.119 1.00 0.00 S ATOM 0 H CYS A 4 45.214 3.811 -37.250 1.00 0.00 H new ATOM 0 HA CYS A 4 47.060 4.247 -34.973 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.748 5.117 -33.960 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.849 6.184 -34.810 1.00 0.00 H new ATOM 59 N VAL A 5 46.210 2.263 -33.791 1.00 0.00 N ATOM 60 CA VAL A 5 45.777 1.039 -33.127 1.00 0.00 C ATOM 61 C VAL A 5 45.723 1.225 -31.615 1.00 0.00 C ATOM 62 O VAL A 5 46.756 1.325 -30.954 1.00 0.00 O ATOM 63 CB VAL A 5 46.716 -0.137 -33.457 1.00 0.00 C ATOM 64 CG1 VAL A 5 46.235 -1.412 -32.780 1.00 0.00 C ATOM 65 CG2 VAL A 5 46.822 -0.330 -34.961 1.00 0.00 C ATOM 0 H VAL A 5 47.108 2.624 -33.467 1.00 0.00 H new ATOM 0 HA VAL A 5 44.777 0.812 -33.497 1.00 0.00 H new ATOM 0 HB VAL A 5 47.709 0.097 -33.074 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.911 -2.231 -33.025 1.00 0.00 H new ATOM 0 HG12 VAL A 5 46.218 -1.266 -31.700 1.00 0.00 H new ATOM 0 HG13 VAL A 5 45.231 -1.653 -33.130 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.489 -1.165 -35.175 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.834 -0.541 -35.371 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.218 0.577 -35.417 1.00 0.00 H new ATOM 75 N THR A 6 44.510 1.270 -31.074 1.00 0.00 N ATOM 76 CA THR A 6 44.320 1.443 -29.638 1.00 0.00 C ATOM 77 C THR A 6 45.038 0.349 -28.855 1.00 0.00 C ATOM 78 O THR A 6 45.984 -0.263 -29.349 1.00 0.00 O ATOM 79 CB THR A 6 42.827 1.430 -29.263 1.00 0.00 C ATOM 80 OG1 THR A 6 42.362 0.080 -29.153 1.00 0.00 O ATOM 81 CG2 THR A 6 42.002 2.174 -30.301 1.00 0.00 C ATOM 0 H THR A 6 43.644 1.189 -31.608 1.00 0.00 H new ATOM 0 HA THR A 6 44.744 2.413 -29.377 1.00 0.00 H new ATOM 0 HB THR A 6 42.711 1.933 -28.303 1.00 0.00 H new ATOM 0 HG1 THR A 6 41.412 0.080 -28.913 1.00 0.00 H new ATOM 0 HG21 THR A 6 40.951 2.151 -30.015 1.00 0.00 H new ATOM 0 HG22 THR A 6 42.340 3.209 -30.361 1.00 0.00 H new ATOM 0 HG23 THR A 6 42.124 1.696 -31.273 1.00 0.00 H new ATOM 89 N ASP A 7 44.580 0.108 -27.631 1.00 0.00 N ATOM 90 CA ASP A 7 45.177 -0.913 -26.779 1.00 0.00 C ATOM 91 C ASP A 7 45.563 -2.141 -27.596 1.00 0.00 C ATOM 92 O ASP A 7 46.744 -2.399 -27.830 1.00 0.00 O ATOM 93 CB ASP A 7 44.205 -1.310 -25.666 1.00 0.00 C ATOM 94 CG ASP A 7 44.613 -0.755 -24.317 1.00 0.00 C ATOM 95 OD1 ASP A 7 45.614 -1.243 -23.752 1.00 0.00 O ATOM 96 OD2 ASP A 7 43.933 0.171 -23.827 1.00 0.00 O ATOM 0 H ASP A 7 43.797 0.606 -27.207 1.00 0.00 H new ATOM 0 HA ASP A 7 46.080 -0.497 -26.331 1.00 0.00 H new ATOM 0 HB2 ASP A 7 43.206 -0.953 -25.916 1.00 0.00 H new ATOM 0 HB3 ASP A 7 44.149 -2.397 -25.607 1.00 0.00 H new ATOM 101 N SER A 8 44.558 -2.892 -28.025 1.00 0.00 N ATOM 102 CA SER A 8 44.783 -4.095 -28.817 1.00 0.00 C ATOM 103 C SER A 8 43.458 -4.768 -29.166 1.00 0.00 C ATOM 104 O SER A 8 43.199 -5.899 -28.756 1.00 0.00 O ATOM 105 CB SER A 8 45.679 -5.071 -28.055 1.00 0.00 C ATOM 106 OG SER A 8 45.000 -5.622 -26.940 1.00 0.00 O ATOM 0 H SER A 8 43.576 -2.689 -27.838 1.00 0.00 H new ATOM 0 HA SER A 8 45.280 -3.806 -29.743 1.00 0.00 H new ATOM 0 HB2 SER A 8 46.000 -5.872 -28.722 1.00 0.00 H new ATOM 0 HB3 SER A 8 46.579 -4.557 -27.719 1.00 0.00 H new ATOM 0 HG SER A 8 44.152 -6.014 -27.235 1.00 0.00 H new ATOM 112 N GLY A 9 42.624 -4.064 -29.925 1.00 0.00 N ATOM 113 CA GLY A 9 41.337 -4.610 -30.314 1.00 0.00 C ATOM 114 C GLY A 9 40.910 -4.173 -31.702 1.00 0.00 C ATOM 115 O GLY A 9 40.305 -4.947 -32.444 1.00 0.00 O ATOM 0 H GLY A 9 42.816 -3.126 -30.277 1.00 0.00 H new ATOM 0 HA2 GLY A 9 41.383 -5.698 -30.279 1.00 0.00 H new ATOM 0 HA3 GLY A 9 40.582 -4.299 -29.592 1.00 0.00 H new ATOM 119 N VAL A 10 41.221 -2.930 -32.052 1.00 0.00 N ATOM 120 CA VAL A 10 40.860 -2.394 -33.358 1.00 0.00 C ATOM 121 C VAL A 10 42.060 -1.746 -34.042 1.00 0.00 C ATOM 122 O VAL A 10 43.086 -1.494 -33.411 1.00 0.00 O ATOM 123 CB VAL A 10 39.728 -1.355 -33.247 1.00 0.00 C ATOM 124 CG1 VAL A 10 39.056 -1.148 -34.595 1.00 0.00 C ATOM 125 CG2 VAL A 10 38.715 -1.783 -32.197 1.00 0.00 C ATOM 0 H VAL A 10 41.722 -2.276 -31.450 1.00 0.00 H new ATOM 0 HA VAL A 10 40.515 -3.237 -33.957 1.00 0.00 H new ATOM 0 HB VAL A 10 40.161 -0.404 -32.936 1.00 0.00 H new ATOM 0 HG11 VAL A 10 38.259 -0.411 -34.495 1.00 0.00 H new ATOM 0 HG12 VAL A 10 39.791 -0.793 -35.317 1.00 0.00 H new ATOM 0 HG13 VAL A 10 38.635 -2.092 -34.941 1.00 0.00 H new ATOM 0 HG21 VAL A 10 37.922 -1.038 -32.131 1.00 0.00 H new ATOM 0 HG22 VAL A 10 38.286 -2.746 -32.476 1.00 0.00 H new ATOM 0 HG23 VAL A 10 39.209 -1.873 -31.230 1.00 0.00 H new ATOM 135 N VAL A 11 41.917 -1.473 -35.335 1.00 0.00 N ATOM 136 CA VAL A 11 42.982 -0.849 -36.108 1.00 0.00 C ATOM 137 C VAL A 11 42.486 0.416 -36.795 1.00 0.00 C ATOM 138 O VAL A 11 42.228 0.426 -37.999 1.00 0.00 O ATOM 139 CB VAL A 11 43.548 -1.808 -37.171 1.00 0.00 C ATOM 140 CG1 VAL A 11 44.702 -1.151 -37.912 1.00 0.00 C ATOM 141 CG2 VAL A 11 43.990 -3.115 -36.531 1.00 0.00 C ATOM 0 H VAL A 11 41.072 -1.675 -35.869 1.00 0.00 H new ATOM 0 HA VAL A 11 43.775 -0.595 -35.405 1.00 0.00 H new ATOM 0 HB VAL A 11 42.761 -2.034 -37.891 1.00 0.00 H new ATOM 0 HG11 VAL A 11 45.093 -1.840 -38.661 1.00 0.00 H new ATOM 0 HG12 VAL A 11 44.350 -0.244 -38.403 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.492 -0.898 -37.205 1.00 0.00 H new ATOM 0 HG21 VAL A 11 44.387 -3.780 -37.298 1.00 0.00 H new ATOM 0 HG22 VAL A 11 44.763 -2.914 -35.790 1.00 0.00 H new ATOM 0 HG23 VAL A 11 43.137 -3.589 -36.046 1.00 0.00 H new ATOM 151 N TYR A 12 42.359 1.482 -36.017 1.00 0.00 N ATOM 152 CA TYR A 12 41.897 2.764 -36.535 1.00 0.00 C ATOM 153 C TYR A 12 42.855 3.298 -37.594 1.00 0.00 C ATOM 154 O TYR A 12 43.906 2.709 -37.850 1.00 0.00 O ATOM 155 CB TYR A 12 41.765 3.772 -35.392 1.00 0.00 C ATOM 156 CG TYR A 12 40.685 3.417 -34.399 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.819 2.357 -34.636 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.532 4.140 -33.225 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.828 2.028 -33.730 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.544 3.817 -32.312 1.00 0.00 C ATOM 161 CZ TYR A 12 38.696 2.761 -32.570 1.00 0.00 C ATOM 162 OH TYR A 12 37.712 2.438 -31.665 1.00 0.00 O ATOM 0 H TYR A 12 42.571 1.485 -35.019 1.00 0.00 H new ATOM 0 HA TYR A 12 40.921 2.617 -36.998 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.719 3.844 -34.869 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.555 4.757 -35.809 1.00 0.00 H new ATOM 0 HD1 TYR A 12 39.922 1.780 -35.543 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.195 4.968 -33.021 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.161 1.202 -33.930 1.00 0.00 H new ATOM 0 HE2 TYR A 12 39.438 4.389 -31.402 1.00 0.00 H new ATOM 0 HH TYR A 12 37.756 3.051 -30.902 1.00 0.00 H new ATOM 172 N SER A 13 42.485 4.416 -38.209 1.00 0.00 N ATOM 173 CA SER A 13 43.313 5.028 -39.241 1.00 0.00 C ATOM 174 C SER A 13 43.453 6.527 -39.010 1.00 0.00 C ATOM 175 O SER A 13 42.610 7.148 -38.365 1.00 0.00 O ATOM 176 CB SER A 13 42.716 4.767 -40.625 1.00 0.00 C ATOM 177 OG SER A 13 43.415 3.733 -41.297 1.00 0.00 O ATOM 0 H SER A 13 41.618 4.916 -38.011 1.00 0.00 H new ATOM 0 HA SER A 13 44.304 4.578 -39.189 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.665 4.494 -40.525 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.753 5.680 -41.219 1.00 0.00 H new ATOM 0 HG SER A 13 43.013 3.585 -42.178 1.00 0.00 H new ATOM 183 N VAL A 14 44.527 7.100 -39.542 1.00 0.00 N ATOM 184 CA VAL A 14 44.788 8.527 -39.398 1.00 0.00 C ATOM 185 C VAL A 14 43.508 9.340 -39.574 1.00 0.00 C ATOM 186 O VAL A 14 43.172 9.758 -40.683 1.00 0.00 O ATOM 187 CB VAL A 14 45.841 9.004 -40.420 1.00 0.00 C ATOM 188 CG1 VAL A 14 45.603 8.350 -41.772 1.00 0.00 C ATOM 189 CG2 VAL A 14 45.834 10.521 -40.544 1.00 0.00 C ATOM 0 H VAL A 14 45.233 6.596 -40.079 1.00 0.00 H new ATOM 0 HA VAL A 14 45.173 8.685 -38.391 1.00 0.00 H new ATOM 0 HB VAL A 14 46.825 8.704 -40.060 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.354 8.697 -42.481 1.00 0.00 H new ATOM 0 HG12 VAL A 14 45.673 7.267 -41.670 1.00 0.00 H new ATOM 0 HG13 VAL A 14 44.610 8.616 -42.135 1.00 0.00 H new ATOM 0 HG21 VAL A 14 46.585 10.830 -41.271 1.00 0.00 H new ATOM 0 HG22 VAL A 14 44.850 10.854 -40.875 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.061 10.966 -39.575 1.00 0.00 H new ATOM 199 N GLY A 15 42.800 9.563 -38.472 1.00 0.00 N ATOM 200 CA GLY A 15 41.568 10.330 -38.522 1.00 0.00 C ATOM 201 C GLY A 15 40.338 9.479 -38.279 1.00 0.00 C ATOM 202 O GLY A 15 39.328 9.627 -38.966 1.00 0.00 O ATOM 0 H GLY A 15 43.057 9.226 -37.544 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.609 11.124 -37.776 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.484 10.812 -39.496 1.00 0.00 H new ATOM 206 N MET A 16 40.419 8.588 -37.298 1.00 0.00 N ATOM 207 CA MET A 16 39.299 7.714 -36.969 1.00 0.00 C ATOM 208 C MET A 16 38.364 8.382 -35.966 1.00 0.00 C ATOM 209 O MET A 16 37.144 8.355 -36.127 1.00 0.00 O ATOM 210 CB MET A 16 39.807 6.386 -36.405 1.00 0.00 C ATOM 211 CG MET A 16 38.735 5.580 -35.688 1.00 0.00 C ATOM 212 SD MET A 16 37.139 5.643 -36.524 1.00 0.00 S ATOM 213 CE MET A 16 37.649 5.493 -38.233 1.00 0.00 C ATOM 0 H MET A 16 41.247 8.452 -36.717 1.00 0.00 H new ATOM 0 HA MET A 16 38.741 7.520 -37.885 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.216 5.788 -37.219 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.625 6.584 -35.713 1.00 0.00 H new ATOM 0 HG2 MET A 16 39.058 4.542 -35.610 1.00 0.00 H new ATOM 0 HG3 MET A 16 38.623 5.956 -34.671 1.00 0.00 H new ATOM 0 HE1 MET A 16 37.028 4.751 -38.734 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.538 6.456 -38.732 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.692 5.181 -38.275 1.00 0.00 H new ATOM 223 N GLN A 17 38.943 8.978 -34.929 1.00 0.00 N ATOM 224 CA GLN A 17 38.157 9.649 -33.900 1.00 0.00 C ATOM 225 C GLN A 17 37.364 8.633 -33.085 1.00 0.00 C ATOM 226 O GLN A 17 36.718 7.745 -33.643 1.00 0.00 O ATOM 227 CB GLN A 17 37.210 10.669 -34.535 1.00 0.00 C ATOM 228 CG GLN A 17 37.733 12.095 -34.486 1.00 0.00 C ATOM 229 CD GLN A 17 36.625 13.126 -34.576 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.048 13.342 -35.641 1.00 0.00 O ATOM 231 NE2 GLN A 17 36.322 13.768 -33.453 1.00 0.00 N ATOM 0 H GLN A 17 39.951 9.010 -34.779 1.00 0.00 H new ATOM 0 HA GLN A 17 38.841 10.173 -33.232 1.00 0.00 H new ATOM 0 HB2 GLN A 17 37.033 10.391 -35.574 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.248 10.626 -34.025 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.288 12.243 -33.559 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.435 12.249 -35.306 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.827 13.556 -32.592 1.00 0.00 H new ATOM 0 HE22 GLN A 17 35.584 14.472 -33.451 1.00 0.00 H new ATOM 240 N TRP A 18 37.422 8.763 -31.764 1.00 0.00 N ATOM 241 CA TRP A 18 36.713 7.848 -30.878 1.00 0.00 C ATOM 242 C TRP A 18 36.768 8.331 -29.432 1.00 0.00 C ATOM 243 O TRP A 18 37.258 9.424 -29.149 1.00 0.00 O ATOM 244 CB TRP A 18 37.321 6.448 -30.978 1.00 0.00 C ATOM 245 CG TRP A 18 38.688 6.353 -30.372 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.992 5.990 -29.090 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.939 6.630 -31.018 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.350 6.021 -28.901 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.954 6.413 -30.067 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.302 7.041 -32.308 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.303 6.593 -30.365 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.641 7.216 -32.599 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.626 6.993 -31.633 1.00 0.00 C ATOM 0 H TRP A 18 37.951 9.491 -31.284 1.00 0.00 H new ATOM 0 HA TRP A 18 35.669 7.815 -31.190 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.661 5.736 -30.483 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.375 6.156 -32.027 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.268 5.718 -28.336 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.833 5.790 -28.033 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.548 7.218 -33.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.067 6.423 -29.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.932 7.531 -33.590 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.664 7.139 -31.893 1.00 0.00 H new ATOM 264 N LEU A 19 36.272 7.501 -28.520 1.00 0.00 N ATOM 265 CA LEU A 19 36.274 7.832 -27.100 1.00 0.00 C ATOM 266 C LEU A 19 37.096 6.811 -26.326 1.00 0.00 C ATOM 267 O LEU A 19 36.663 5.677 -26.120 1.00 0.00 O ATOM 268 CB LEU A 19 34.847 7.873 -26.547 1.00 0.00 C ATOM 269 CG LEU A 19 33.872 8.758 -27.323 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.374 10.194 -27.383 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.656 8.206 -28.721 1.00 0.00 C ATOM 0 H LEU A 19 35.863 6.593 -28.740 1.00 0.00 H new ATOM 0 HA LEU A 19 36.720 8.819 -26.982 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.453 6.857 -26.527 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.885 8.220 -25.515 1.00 0.00 H new ATOM 0 HG LEU A 19 32.916 8.757 -26.799 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.664 10.805 -27.940 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.475 10.587 -26.371 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.343 10.220 -27.881 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.959 8.847 -29.262 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.608 8.176 -29.251 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.246 7.198 -28.655 1.00 0.00 H new ATOM 283 N LYS A 20 38.288 7.215 -25.909 1.00 0.00 N ATOM 284 CA LYS A 20 39.172 6.326 -25.168 1.00 0.00 C ATOM 285 C LYS A 20 38.759 6.233 -23.703 1.00 0.00 C ATOM 286 O LYS A 20 38.272 7.200 -23.119 1.00 0.00 O ATOM 287 CB LYS A 20 40.617 6.809 -25.279 1.00 0.00 C ATOM 288 CG LYS A 20 41.607 5.934 -24.534 1.00 0.00 C ATOM 289 CD LYS A 20 42.047 4.749 -25.376 1.00 0.00 C ATOM 290 CE LYS A 20 41.491 3.444 -24.830 1.00 0.00 C ATOM 291 NZ LYS A 20 42.468 2.328 -24.957 1.00 0.00 N ATOM 0 H LYS A 20 38.664 8.149 -26.070 1.00 0.00 H new ATOM 0 HA LYS A 20 39.094 5.330 -25.604 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.899 6.848 -26.331 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.682 7.827 -24.894 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.478 6.526 -24.254 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.154 5.576 -23.609 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.712 4.887 -26.404 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.136 4.701 -25.399 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.223 3.574 -23.782 1.00 0.00 H new ATOM 0 HE3 LYS A 20 40.576 3.188 -25.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 42.546 1.829 -24.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 42.144 1.664 -25.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.398 2.710 -25.223 1.00 0.00 H new ATOM 379 N GLN A 26 35.321 8.045 -19.057 1.00 0.00 N ATOM 380 CA GLN A 26 35.337 8.155 -20.511 1.00 0.00 C ATOM 381 C GLN A 26 36.219 9.314 -20.960 1.00 0.00 C ATOM 382 O GLN A 26 36.337 10.323 -20.267 1.00 0.00 O ATOM 383 CB GLN A 26 33.915 8.343 -21.044 1.00 0.00 C ATOM 384 CG GLN A 26 33.383 7.137 -21.801 1.00 0.00 C ATOM 385 CD GLN A 26 34.421 6.520 -22.717 1.00 0.00 C ATOM 386 OE1 GLN A 26 35.141 7.225 -23.422 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.503 5.195 -22.711 1.00 0.00 N ATOM 0 HA GLN A 26 35.750 7.231 -20.916 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.249 8.560 -20.209 1.00 0.00 H new ATOM 0 HB3 GLN A 26 33.895 9.212 -21.702 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.041 6.387 -21.088 1.00 0.00 H new ATOM 0 HG3 GLN A 26 32.516 7.436 -22.390 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.886 4.649 -22.110 1.00 0.00 H new ATOM 0 HE22 GLN A 26 35.183 4.723 -23.307 1.00 0.00 H new ATOM 396 N MET A 27 36.839 9.160 -22.125 1.00 0.00 N ATOM 397 CA MET A 27 37.712 10.193 -22.669 1.00 0.00 C ATOM 398 C MET A 27 37.662 10.196 -24.192 1.00 0.00 C ATOM 399 O MET A 27 37.374 9.175 -24.815 1.00 0.00 O ATOM 400 CB MET A 27 39.148 9.977 -22.191 1.00 0.00 C ATOM 401 CG MET A 27 39.882 11.268 -21.878 1.00 0.00 C ATOM 402 SD MET A 27 41.567 11.284 -22.521 1.00 0.00 S ATOM 403 CE MET A 27 42.500 11.546 -21.015 1.00 0.00 C ATOM 0 H MET A 27 36.753 8.329 -22.711 1.00 0.00 H new ATOM 0 HA MET A 27 37.361 11.161 -22.311 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.135 9.350 -21.299 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.699 9.431 -22.957 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.329 12.107 -22.300 1.00 0.00 H new ATOM 0 HG3 MET A 27 39.908 11.414 -20.798 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.564 11.580 -21.248 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.198 12.489 -20.559 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.306 10.729 -20.320 1.00 0.00 H new ATOM 413 N LEU A 28 37.948 11.349 -24.788 1.00 0.00 N ATOM 414 CA LEU A 28 37.940 11.477 -26.239 1.00 0.00 C ATOM 415 C LEU A 28 39.352 11.351 -26.793 1.00 0.00 C ATOM 416 O LEU A 28 40.233 12.142 -26.456 1.00 0.00 O ATOM 417 CB LEU A 28 37.343 12.818 -26.657 1.00 0.00 C ATOM 418 CG LEU A 28 37.429 13.110 -28.153 1.00 0.00 C ATOM 419 CD1 LEU A 28 36.124 12.751 -28.838 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.777 14.571 -28.394 1.00 0.00 C ATOM 0 H LEU A 28 38.188 12.206 -24.289 1.00 0.00 H new ATOM 0 HA LEU A 28 37.325 10.674 -26.645 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.296 12.846 -26.354 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.853 13.614 -26.114 1.00 0.00 H new ATOM 0 HG LEU A 28 38.222 12.496 -28.580 1.00 0.00 H new ATOM 0 HD11 LEU A 28 36.202 12.965 -29.904 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.918 11.690 -28.695 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.313 13.339 -28.408 1.00 0.00 H new ATOM 0 HD21 LEU A 28 37.834 14.759 -29.466 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.008 15.206 -27.954 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.739 14.796 -27.935 1.00 0.00 H new ATOM 432 N CYS A 29 39.564 10.357 -27.644 1.00 0.00 N ATOM 433 CA CYS A 29 40.873 10.139 -28.240 1.00 0.00 C ATOM 434 C CYS A 29 40.806 10.219 -29.757 1.00 0.00 C ATOM 435 O CYS A 29 39.817 9.815 -30.369 1.00 0.00 O ATOM 436 CB CYS A 29 41.441 8.789 -27.809 1.00 0.00 C ATOM 437 SG CYS A 29 43.233 8.624 -28.085 1.00 0.00 S ATOM 0 H CYS A 29 38.849 9.691 -27.936 1.00 0.00 H new ATOM 0 HA CYS A 29 41.535 10.929 -27.886 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.230 8.638 -26.750 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.925 7.998 -28.353 1.00 0.00 H new ATOM 442 N THR A 30 41.867 10.744 -30.354 1.00 0.00 N ATOM 443 CA THR A 30 41.937 10.882 -31.802 1.00 0.00 C ATOM 444 C THR A 30 43.329 10.563 -32.315 1.00 0.00 C ATOM 445 O THR A 30 44.328 10.853 -31.657 1.00 0.00 O ATOM 446 CB THR A 30 41.568 12.305 -32.260 1.00 0.00 C ATOM 447 OG1 THR A 30 40.247 12.638 -31.818 1.00 0.00 O ATOM 448 CG2 THR A 30 41.648 12.418 -33.777 1.00 0.00 C ATOM 0 H THR A 30 42.692 11.082 -29.858 1.00 0.00 H new ATOM 0 HA THR A 30 41.217 10.174 -32.212 1.00 0.00 H new ATOM 0 HB THR A 30 42.280 13.003 -31.819 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.022 13.545 -32.113 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.384 13.431 -34.081 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.663 12.194 -34.106 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.955 11.710 -34.232 1.00 0.00 H new ATOM 456 N CYS A 31 43.392 9.979 -33.503 1.00 0.00 N ATOM 457 CA CYS A 31 44.666 9.641 -34.109 1.00 0.00 C ATOM 458 C CYS A 31 44.935 10.540 -35.307 1.00 0.00 C ATOM 459 O CYS A 31 44.277 10.434 -36.343 1.00 0.00 O ATOM 460 CB CYS A 31 44.700 8.171 -34.519 1.00 0.00 C ATOM 461 SG CYS A 31 43.392 7.665 -35.676 1.00 0.00 S ATOM 0 H CYS A 31 42.576 9.731 -34.063 1.00 0.00 H new ATOM 0 HA CYS A 31 45.452 9.802 -33.371 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.668 7.958 -34.973 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.627 7.557 -33.621 1.00 0.00 H new ATOM 466 N LEU A 32 45.899 11.435 -35.145 1.00 0.00 N ATOM 467 CA LEU A 32 46.259 12.376 -36.199 1.00 0.00 C ATOM 468 C LEU A 32 47.139 11.707 -37.253 1.00 0.00 C ATOM 469 O LEU A 32 46.635 11.047 -38.160 1.00 0.00 O ATOM 470 CB LEU A 32 46.974 13.598 -35.608 1.00 0.00 C ATOM 471 CG LEU A 32 47.681 13.360 -34.269 1.00 0.00 C ATOM 472 CD1 LEU A 32 48.928 14.222 -34.161 1.00 0.00 C ATOM 473 CD2 LEU A 32 46.734 13.637 -33.109 1.00 0.00 C ATOM 0 H LEU A 32 46.448 11.530 -34.291 1.00 0.00 H new ATOM 0 HA LEU A 32 45.340 12.708 -36.682 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.709 13.952 -36.330 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.244 14.397 -35.478 1.00 0.00 H new ATOM 0 HG LEU A 32 47.985 12.314 -34.222 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.415 14.038 -33.203 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.614 13.973 -34.971 1.00 0.00 H new ATOM 0 HD13 LEU A 32 48.650 15.274 -34.231 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.253 13.463 -32.166 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.399 14.673 -33.153 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.872 12.973 -33.177 1.00 0.00 H new ATOM 485 N GLY A 33 48.452 11.878 -37.133 1.00 0.00 N ATOM 486 CA GLY A 33 49.363 11.279 -38.091 1.00 0.00 C ATOM 487 C GLY A 33 50.648 10.797 -37.451 1.00 0.00 C ATOM 488 O GLY A 33 51.171 9.743 -37.809 1.00 0.00 O ATOM 0 H GLY A 33 48.900 12.418 -36.393 1.00 0.00 H new ATOM 0 HA2 GLY A 33 48.869 10.440 -38.581 1.00 0.00 H new ATOM 0 HA3 GLY A 33 49.599 12.007 -38.867 1.00 0.00 H new ATOM 492 N ASN A 34 51.157 11.572 -36.502 1.00 0.00 N ATOM 493 CA ASN A 34 52.391 11.220 -35.809 1.00 0.00 C ATOM 494 C ASN A 34 52.103 10.343 -34.596 1.00 0.00 C ATOM 495 O ASN A 34 52.990 9.654 -34.091 1.00 0.00 O ATOM 496 CB ASN A 34 53.135 12.484 -35.376 1.00 0.00 C ATOM 497 CG ASN A 34 52.529 13.116 -34.138 1.00 0.00 C ATOM 498 OD1 ASN A 34 51.694 14.015 -34.232 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.949 12.646 -32.969 1.00 0.00 N ATOM 0 H ASN A 34 50.735 12.448 -36.194 1.00 0.00 H new ATOM 0 HA ASN A 34 53.018 10.657 -36.500 1.00 0.00 H new ATOM 0 HB2 ASN A 34 54.179 12.239 -35.182 1.00 0.00 H new ATOM 0 HB3 ASN A 34 53.124 13.207 -36.192 1.00 0.00 H new ATOM 0 HD21 ASN A 34 52.577 13.032 -32.101 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.643 11.899 -32.939 1.00 0.00 H new ATOM 506 N GLY A 35 50.858 10.372 -34.132 1.00 0.00 N ATOM 507 CA GLY A 35 50.479 9.574 -32.982 1.00 0.00 C ATOM 508 C GLY A 35 48.995 9.653 -32.687 1.00 0.00 C ATOM 509 O GLY A 35 48.196 9.958 -33.572 1.00 0.00 O ATOM 0 H GLY A 35 50.106 10.933 -34.532 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.757 8.535 -33.157 1.00 0.00 H new ATOM 0 HA3 GLY A 35 51.038 9.911 -32.109 1.00 0.00 H new ATOM 513 N VAL A 36 48.625 9.379 -31.442 1.00 0.00 N ATOM 514 CA VAL A 36 47.227 9.422 -31.036 1.00 0.00 C ATOM 515 C VAL A 36 47.057 10.181 -29.724 1.00 0.00 C ATOM 516 O VAL A 36 47.551 9.757 -28.679 1.00 0.00 O ATOM 517 CB VAL A 36 46.639 8.005 -30.881 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.299 8.054 -30.162 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.497 7.337 -32.239 1.00 0.00 C ATOM 0 H VAL A 36 49.274 9.125 -30.697 1.00 0.00 H new ATOM 0 HA VAL A 36 46.686 9.944 -31.825 1.00 0.00 H new ATOM 0 HB VAL A 36 47.326 7.412 -30.277 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.902 7.044 -30.063 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.433 8.490 -29.172 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.601 8.664 -30.735 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.081 6.338 -32.111 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.833 7.929 -32.868 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.476 7.264 -32.713 1.00 0.00 H new ATOM 529 N SER A 37 46.350 11.304 -29.788 1.00 0.00 N ATOM 530 CA SER A 37 46.106 12.124 -28.607 1.00 0.00 C ATOM 531 C SER A 37 44.668 11.956 -28.130 1.00 0.00 C ATOM 532 O SER A 37 43.787 11.594 -28.909 1.00 0.00 O ATOM 533 CB SER A 37 46.389 13.596 -28.916 1.00 0.00 C ATOM 534 OG SER A 37 46.317 14.387 -27.744 1.00 0.00 O ATOM 0 H SER A 37 45.935 11.668 -30.646 1.00 0.00 H new ATOM 0 HA SER A 37 46.777 11.796 -27.814 1.00 0.00 H new ATOM 0 HB2 SER A 37 47.378 13.693 -29.363 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.670 13.961 -29.649 1.00 0.00 H new ATOM 0 HG SER A 37 46.503 15.322 -27.969 1.00 0.00 H new ATOM 540 N CYS A 38 44.432 12.212 -26.848 1.00 0.00 N ATOM 541 CA CYS A 38 43.094 12.078 -26.282 1.00 0.00 C ATOM 542 C CYS A 38 42.886 13.038 -25.117 1.00 0.00 C ATOM 543 O CYS A 38 43.782 13.250 -24.301 1.00 0.00 O ATOM 544 CB CYS A 38 42.852 10.641 -25.818 1.00 0.00 C ATOM 545 SG CYS A 38 44.079 9.432 -26.424 1.00 0.00 S ATOM 0 H CYS A 38 45.145 12.512 -26.184 1.00 0.00 H new ATOM 0 HA CYS A 38 42.378 12.329 -27.065 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.848 10.620 -24.728 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.861 10.329 -26.146 1.00 0.00 H new ATOM 550 N GLN A 39 41.689 13.610 -25.049 1.00 0.00 N ATOM 551 CA GLN A 39 41.343 14.545 -23.987 1.00 0.00 C ATOM 552 C GLN A 39 40.042 14.128 -23.309 1.00 0.00 C ATOM 553 O GLN A 39 39.163 13.546 -23.945 1.00 0.00 O ATOM 554 CB GLN A 39 41.209 15.962 -24.548 1.00 0.00 C ATOM 555 CG GLN A 39 42.455 16.456 -25.264 1.00 0.00 C ATOM 556 CD GLN A 39 42.868 17.846 -24.821 1.00 0.00 C ATOM 557 OE1 GLN A 39 43.887 18.020 -24.153 1.00 0.00 O ATOM 558 NE2 GLN A 39 42.075 18.845 -25.192 1.00 0.00 N ATOM 0 H GLN A 39 40.940 13.441 -25.720 1.00 0.00 H new ATOM 0 HA GLN A 39 42.143 14.533 -23.246 1.00 0.00 H new ATOM 0 HB2 GLN A 39 40.367 15.991 -25.240 1.00 0.00 H new ATOM 0 HB3 GLN A 39 40.974 16.646 -23.732 1.00 0.00 H new ATOM 0 HG2 GLN A 39 43.275 15.761 -25.081 1.00 0.00 H new ATOM 0 HG3 GLN A 39 42.275 16.460 -26.339 1.00 0.00 H new ATOM 0 HE21 GLN A 39 41.240 18.655 -25.746 1.00 0.00 H new ATOM 0 HE22 GLN A 39 42.301 19.803 -24.923 1.00 0.00 H new ATOM 636 N GLN A 45 29.763 22.548 -18.838 1.00 0.00 N ATOM 637 CA GLN A 45 28.875 23.033 -17.787 1.00 0.00 C ATOM 638 C GLN A 45 27.421 22.690 -18.097 1.00 0.00 C ATOM 639 O GLN A 45 26.956 22.873 -19.222 1.00 0.00 O ATOM 640 CB GLN A 45 29.028 24.546 -17.621 1.00 0.00 C ATOM 641 CG GLN A 45 30.387 24.967 -17.088 1.00 0.00 C ATOM 642 CD GLN A 45 30.413 26.414 -16.633 1.00 0.00 C ATOM 643 OE1 GLN A 45 29.977 26.737 -15.529 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.923 27.295 -17.487 1.00 0.00 N ATOM 0 HA GLN A 45 29.154 22.540 -16.856 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.860 25.027 -18.585 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.254 24.909 -16.945 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.661 24.322 -16.253 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.139 24.820 -17.864 1.00 0.00 H new ATOM 0 HE21 GLN A 45 31.274 26.983 -18.393 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.964 28.283 -17.237 1.00 0.00 H new ATOM 653 N THR A 46 26.710 22.195 -17.090 1.00 0.00 N ATOM 654 CA THR A 46 25.308 21.830 -17.251 1.00 0.00 C ATOM 655 C THR A 46 24.434 22.564 -16.240 1.00 0.00 C ATOM 656 O THR A 46 24.605 22.410 -15.031 1.00 0.00 O ATOM 657 CB THR A 46 25.098 20.312 -17.089 1.00 0.00 C ATOM 658 OG1 THR A 46 25.632 19.875 -15.834 1.00 0.00 O ATOM 659 CG2 THR A 46 25.765 19.549 -18.223 1.00 0.00 C ATOM 0 H THR A 46 27.082 22.037 -16.153 1.00 0.00 H new ATOM 0 HA THR A 46 25.018 22.121 -18.261 1.00 0.00 H new ATOM 0 HB THR A 46 24.027 20.111 -17.118 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.575 20.605 -15.182 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.603 18.480 -18.087 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.336 19.863 -19.175 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.835 19.757 -18.222 1.00 0.00 H new ATOM 667 N TYR A 47 23.505 23.368 -16.743 1.00 0.00 N ATOM 668 CA TYR A 47 22.609 24.132 -15.884 1.00 0.00 C ATOM 669 C TYR A 47 21.156 23.943 -16.304 1.00 0.00 C ATOM 670 O TYR A 47 20.834 23.985 -17.490 1.00 0.00 O ATOM 671 CB TYR A 47 22.974 25.616 -15.938 1.00 0.00 C ATOM 672 CG TYR A 47 22.787 26.233 -17.305 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.788 26.161 -18.266 1.00 0.00 C ATOM 674 CD2 TYR A 47 21.608 26.889 -17.636 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.620 26.725 -19.517 1.00 0.00 C ATOM 676 CE2 TYR A 47 21.432 27.455 -18.883 1.00 0.00 C ATOM 677 CZ TYR A 47 22.440 27.370 -19.820 1.00 0.00 C ATOM 678 OH TYR A 47 22.268 27.933 -21.064 1.00 0.00 O ATOM 0 H TYR A 47 23.353 23.508 -17.742 1.00 0.00 H new ATOM 0 HA TYR A 47 22.722 23.767 -14.863 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.363 26.159 -15.216 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.013 25.738 -15.632 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.713 25.656 -18.032 1.00 0.00 H new ATOM 0 HD2 TYR A 47 20.816 26.957 -16.905 1.00 0.00 H new ATOM 0 HE1 TYR A 47 24.408 26.661 -20.252 1.00 0.00 H new ATOM 0 HE2 TYR A 47 20.509 27.962 -19.123 1.00 0.00 H new ATOM 0 HH TYR A 47 21.382 28.348 -21.116 1.00 0.00 H new ATOM 688 N GLY A 48 20.280 23.739 -15.327 1.00 0.00 N ATOM 689 CA GLY A 48 18.872 23.553 -15.624 1.00 0.00 C ATOM 690 C GLY A 48 18.566 22.173 -16.171 1.00 0.00 C ATOM 691 O GLY A 48 18.851 21.164 -15.526 1.00 0.00 O ATOM 0 H GLY A 48 20.519 23.699 -14.336 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.289 23.717 -14.718 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.555 24.304 -16.347 1.00 0.00 H new ATOM 695 N GLY A 49 17.982 22.130 -17.365 1.00 0.00 N ATOM 696 CA GLY A 49 17.644 20.861 -17.980 1.00 0.00 C ATOM 697 C GLY A 49 16.860 19.957 -17.048 1.00 0.00 C ATOM 698 O GLY A 49 16.554 20.338 -15.918 1.00 0.00 O ATOM 0 H GLY A 49 17.737 22.952 -17.917 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.060 21.042 -18.882 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.559 20.355 -18.288 1.00 0.00 H new ATOM 702 N ASN A 50 16.536 18.757 -17.520 1.00 0.00 N ATOM 703 CA ASN A 50 15.786 17.799 -16.719 1.00 0.00 C ATOM 704 C ASN A 50 16.719 16.982 -15.831 1.00 0.00 C ATOM 705 O ASN A 50 16.320 15.966 -15.262 1.00 0.00 O ATOM 706 CB ASN A 50 14.977 16.867 -17.624 1.00 0.00 C ATOM 707 CG ASN A 50 13.493 17.179 -17.597 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.989 17.771 -16.644 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.786 16.779 -18.648 1.00 0.00 N ATOM 0 H ASN A 50 16.782 18.426 -18.453 1.00 0.00 H new ATOM 0 HA ASN A 50 15.102 18.356 -16.079 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.344 16.950 -18.647 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.134 15.835 -17.311 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.783 16.960 -18.687 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.246 16.291 -19.416 1.00 0.00 H new ATOM 716 N SER A 51 17.964 17.434 -15.720 1.00 0.00 N ATOM 717 CA SER A 51 18.957 16.746 -14.902 1.00 0.00 C ATOM 718 C SER A 51 19.485 17.660 -13.798 1.00 0.00 C ATOM 719 O SER A 51 20.272 17.234 -12.952 1.00 0.00 O ATOM 720 CB SER A 51 20.117 16.260 -15.773 1.00 0.00 C ATOM 721 OG SER A 51 19.781 15.061 -16.448 1.00 0.00 O ATOM 0 H SER A 51 18.309 18.273 -16.186 1.00 0.00 H new ATOM 0 HA SER A 51 18.474 15.887 -14.437 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.377 17.029 -16.500 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.998 16.097 -15.152 1.00 0.00 H new ATOM 0 HG SER A 51 19.805 15.213 -17.416 1.00 0.00 H new ATOM 727 N ASN A 52 19.049 18.916 -13.812 1.00 0.00 N ATOM 728 CA ASN A 52 19.479 19.885 -12.813 1.00 0.00 C ATOM 729 C ASN A 52 20.964 20.202 -12.970 1.00 0.00 C ATOM 730 O ASN A 52 21.635 20.584 -12.012 1.00 0.00 O ATOM 731 CB ASN A 52 19.199 19.352 -11.407 1.00 0.00 C ATOM 732 CG ASN A 52 19.734 20.264 -10.321 1.00 0.00 C ATOM 733 OD1 ASN A 52 20.379 19.811 -9.375 1.00 0.00 O ATOM 734 ND2 ASN A 52 19.467 21.559 -10.450 1.00 0.00 N ATOM 0 H ASN A 52 18.398 19.285 -14.505 1.00 0.00 H new ATOM 0 HA ASN A 52 18.914 20.805 -12.962 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.124 19.229 -11.276 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.648 18.364 -11.301 1.00 0.00 H new ATOM 0 HD21 ASN A 52 19.800 22.221 -9.749 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.929 21.892 -11.250 1.00 0.00 H new ATOM 741 N GLY A 53 21.469 20.040 -14.189 1.00 0.00 N ATOM 742 CA GLY A 53 22.870 20.313 -14.453 1.00 0.00 C ATOM 743 C GLY A 53 23.782 19.218 -13.937 1.00 0.00 C ATOM 744 O GLY A 53 24.693 19.480 -13.151 1.00 0.00 O ATOM 0 H GLY A 53 20.934 19.725 -14.998 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.018 20.429 -15.527 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.146 21.260 -13.989 1.00 0.00 H new ATOM 748 N GLU A 54 23.536 17.989 -14.378 1.00 0.00 N ATOM 749 CA GLU A 54 24.344 16.850 -13.954 1.00 0.00 C ATOM 750 C GLU A 54 25.258 16.381 -15.080 1.00 0.00 C ATOM 751 O GLU A 54 25.151 16.842 -16.217 1.00 0.00 O ATOM 752 CB GLU A 54 23.445 15.701 -13.500 1.00 0.00 C ATOM 753 CG GLU A 54 23.068 15.770 -12.030 1.00 0.00 C ATOM 754 CD GLU A 54 24.236 16.155 -11.144 1.00 0.00 C ATOM 755 OE1 GLU A 54 25.001 15.253 -10.744 1.00 0.00 O ATOM 756 OE2 GLU A 54 24.385 17.359 -10.847 1.00 0.00 O ATOM 0 H GLU A 54 22.785 17.756 -15.028 1.00 0.00 H new ATOM 0 HA GLU A 54 24.964 17.169 -13.117 1.00 0.00 H new ATOM 0 HB2 GLU A 54 22.535 15.703 -14.101 1.00 0.00 H new ATOM 0 HB3 GLU A 54 23.952 14.756 -13.693 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.264 16.494 -11.899 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.680 14.802 -11.713 1.00 0.00 H new ATOM 763 N PRO A 55 26.170 15.450 -14.770 1.00 0.00 N ATOM 764 CA PRO A 55 27.115 14.904 -15.751 1.00 0.00 C ATOM 765 C PRO A 55 26.406 14.220 -16.916 1.00 0.00 C ATOM 766 O PRO A 55 25.471 13.446 -16.717 1.00 0.00 O ATOM 767 CB PRO A 55 27.923 13.877 -14.947 1.00 0.00 C ATOM 768 CG PRO A 55 27.721 14.250 -13.518 1.00 0.00 C ATOM 769 CD PRO A 55 26.350 14.858 -13.438 1.00 0.00 C ATOM 0 HA PRO A 55 27.726 15.687 -16.201 1.00 0.00 H new ATOM 0 HB2 PRO A 55 27.575 12.863 -15.142 1.00 0.00 H new ATOM 0 HB3 PRO A 55 28.979 13.909 -15.216 1.00 0.00 H new ATOM 0 HG2 PRO A 55 27.798 13.375 -12.872 1.00 0.00 H new ATOM 0 HG3 PRO A 55 28.481 14.958 -13.188 1.00 0.00 H new ATOM 0 HD2 PRO A 55 25.588 14.108 -13.224 1.00 0.00 H new ATOM 0 HD3 PRO A 55 26.288 15.610 -12.651 1.00 0.00 H new ATOM 777 N CYS A 56 26.859 14.508 -18.133 1.00 0.00 N ATOM 778 CA CYS A 56 26.265 13.913 -19.326 1.00 0.00 C ATOM 779 C CYS A 56 26.659 12.444 -19.449 1.00 0.00 C ATOM 780 O CYS A 56 27.422 11.926 -18.633 1.00 0.00 O ATOM 781 CB CYS A 56 26.692 14.682 -20.578 1.00 0.00 C ATOM 782 SG CYS A 56 26.566 16.494 -20.420 1.00 0.00 S ATOM 0 H CYS A 56 27.632 15.147 -18.319 1.00 0.00 H new ATOM 0 HA CYS A 56 25.181 13.973 -19.232 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.722 14.420 -20.818 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.077 14.358 -21.417 1.00 0.00 H new ATOM 787 N VAL A 57 26.128 11.776 -20.467 1.00 0.00 N ATOM 788 CA VAL A 57 26.418 10.364 -20.689 1.00 0.00 C ATOM 789 C VAL A 57 26.631 10.068 -22.168 1.00 0.00 C ATOM 790 O VAL A 57 25.882 9.297 -22.770 1.00 0.00 O ATOM 791 CB VAL A 57 25.276 9.473 -20.165 1.00 0.00 C ATOM 792 CG1 VAL A 57 24.033 9.638 -21.026 1.00 0.00 C ATOM 793 CG2 VAL A 57 25.713 8.017 -20.125 1.00 0.00 C ATOM 0 H VAL A 57 25.495 12.189 -21.151 1.00 0.00 H new ATOM 0 HA VAL A 57 27.334 10.140 -20.142 1.00 0.00 H new ATOM 0 HB VAL A 57 25.032 9.785 -19.150 1.00 0.00 H new ATOM 0 HG11 VAL A 57 23.237 9.001 -20.641 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.709 10.679 -21.002 1.00 0.00 H new ATOM 0 HG13 VAL A 57 24.261 9.353 -22.053 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.894 7.401 -19.752 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.984 7.691 -21.129 1.00 0.00 H new ATOM 0 HG23 VAL A 57 26.574 7.914 -19.465 1.00 0.00 H new ATOM 803 N LEU A 58 27.652 10.680 -22.754 1.00 0.00 N ATOM 804 CA LEU A 58 27.948 10.471 -24.166 1.00 0.00 C ATOM 805 C LEU A 58 29.191 9.604 -24.353 1.00 0.00 C ATOM 806 O LEU A 58 29.952 9.377 -23.413 1.00 0.00 O ATOM 807 CB LEU A 58 28.135 11.808 -24.887 1.00 0.00 C ATOM 808 CG LEU A 58 28.482 12.996 -23.988 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.334 13.307 -23.042 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.761 12.721 -23.210 1.00 0.00 C ATOM 0 H LEU A 58 28.286 11.321 -22.277 1.00 0.00 H new ATOM 0 HA LEU A 58 27.096 9.949 -24.602 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.925 11.693 -25.630 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.218 12.040 -25.429 1.00 0.00 H new ATOM 0 HG LEU A 58 28.647 13.868 -24.621 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.602 14.155 -22.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.443 13.551 -23.620 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.133 12.438 -22.415 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.992 13.577 -22.576 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.626 11.835 -22.589 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.582 12.554 -23.907 1.00 0.00 H new ATOM 822 N PRO A 59 29.406 9.109 -25.583 1.00 0.00 N ATOM 823 CA PRO A 59 28.509 9.369 -26.711 1.00 0.00 C ATOM 824 C PRO A 59 27.145 8.717 -26.532 1.00 0.00 C ATOM 825 O PRO A 59 27.043 7.555 -26.141 1.00 0.00 O ATOM 826 CB PRO A 59 29.227 8.744 -27.911 1.00 0.00 C ATOM 827 CG PRO A 59 30.626 8.495 -27.453 1.00 0.00 C ATOM 828 CD PRO A 59 30.537 8.259 -25.974 1.00 0.00 C ATOM 0 HA PRO A 59 28.314 10.436 -26.821 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.744 7.817 -28.218 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.209 9.413 -28.771 1.00 0.00 H new ATOM 0 HG2 PRO A 59 31.056 7.632 -27.961 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.268 9.348 -27.675 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.355 7.210 -25.741 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.456 8.545 -25.462 1.00 0.00 H new ATOM 836 N PHE A 60 26.101 9.476 -26.833 1.00 0.00 N ATOM 837 CA PHE A 60 24.735 8.982 -26.722 1.00 0.00 C ATOM 838 C PHE A 60 24.075 8.966 -28.092 1.00 0.00 C ATOM 839 O PHE A 60 24.645 9.453 -29.063 1.00 0.00 O ATOM 840 CB PHE A 60 23.923 9.857 -25.767 1.00 0.00 C ATOM 841 CG PHE A 60 24.118 11.327 -25.995 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.589 11.943 -27.118 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.831 12.094 -25.088 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.768 13.296 -27.332 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.015 13.446 -25.297 1.00 0.00 C ATOM 846 CZ PHE A 60 24.482 14.049 -26.421 1.00 0.00 C ATOM 0 H PHE A 60 26.174 10.440 -27.157 1.00 0.00 H new ATOM 0 HA PHE A 60 24.766 7.967 -26.325 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.865 9.617 -25.876 1.00 0.00 H new ATOM 0 HB3 PHE A 60 24.200 9.616 -24.741 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.030 11.359 -27.834 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.248 11.629 -24.207 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.350 13.764 -28.211 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.575 14.032 -24.583 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.624 15.107 -26.586 1.00 0.00 H new ATOM 856 N THR A 61 22.873 8.412 -28.166 1.00 0.00 N ATOM 857 CA THR A 61 22.151 8.346 -29.428 1.00 0.00 C ATOM 858 C THR A 61 20.806 9.054 -29.329 1.00 0.00 C ATOM 859 O THR A 61 19.954 8.681 -28.523 1.00 0.00 O ATOM 860 CB THR A 61 21.924 6.890 -29.874 1.00 0.00 C ATOM 861 OG1 THR A 61 22.803 6.017 -29.155 1.00 0.00 O ATOM 862 CG2 THR A 61 22.163 6.741 -31.369 1.00 0.00 C ATOM 0 H THR A 61 22.380 8.004 -27.372 1.00 0.00 H new ATOM 0 HA THR A 61 22.769 8.850 -30.171 1.00 0.00 H new ATOM 0 HB THR A 61 20.890 6.622 -29.659 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.652 5.092 -29.442 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.997 5.704 -31.662 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.474 7.387 -31.914 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.189 7.025 -31.603 1.00 0.00 H new ATOM 870 N TYR A 62 20.623 10.075 -30.156 1.00 0.00 N ATOM 871 CA TYR A 62 19.382 10.836 -30.166 1.00 0.00 C ATOM 872 C TYR A 62 18.695 10.728 -31.520 1.00 0.00 C ATOM 873 O TYR A 62 19.246 11.140 -32.542 1.00 0.00 O ATOM 874 CB TYR A 62 19.647 12.304 -29.827 1.00 0.00 C ATOM 875 CG TYR A 62 18.482 13.215 -30.143 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.174 12.798 -29.931 1.00 0.00 C ATOM 877 CD2 TYR A 62 18.690 14.490 -30.654 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.106 13.625 -30.220 1.00 0.00 C ATOM 879 CE2 TYR A 62 17.626 15.323 -30.946 1.00 0.00 C ATOM 880 CZ TYR A 62 16.337 14.885 -30.727 1.00 0.00 C ATOM 881 OH TYR A 62 15.275 15.712 -31.015 1.00 0.00 O ATOM 0 H TYR A 62 21.319 10.395 -30.829 1.00 0.00 H new ATOM 0 HA TYR A 62 18.722 10.416 -29.407 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.886 12.387 -28.767 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.524 12.644 -30.378 1.00 0.00 H new ATOM 0 HD1 TYR A 62 16.989 11.811 -29.534 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.699 14.836 -30.826 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.095 13.286 -30.049 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.803 16.311 -31.343 1.00 0.00 H new ATOM 0 HH TYR A 62 14.530 15.510 -30.411 1.00 0.00 H new ATOM 891 N ASN A 63 17.491 10.163 -31.522 1.00 0.00 N ATOM 892 CA ASN A 63 16.727 9.993 -32.753 1.00 0.00 C ATOM 893 C ASN A 63 17.340 8.912 -33.639 1.00 0.00 C ATOM 894 O ASN A 63 16.655 7.984 -34.070 1.00 0.00 O ATOM 895 CB ASN A 63 16.650 11.316 -33.517 1.00 0.00 C ATOM 896 CG ASN A 63 15.301 11.989 -33.370 1.00 0.00 C ATOM 897 OD1 ASN A 63 14.258 11.340 -33.458 1.00 0.00 O ATOM 898 ND2 ASN A 63 15.313 13.297 -33.143 1.00 0.00 N ATOM 0 H ASN A 63 17.024 9.815 -30.685 1.00 0.00 H new ATOM 0 HA ASN A 63 15.719 9.678 -32.481 1.00 0.00 H new ATOM 0 HB2 ASN A 63 17.429 11.987 -33.156 1.00 0.00 H new ATOM 0 HB3 ASN A 63 16.850 11.135 -34.573 1.00 0.00 H new ATOM 0 HD21 ASN A 63 14.435 13.804 -33.034 1.00 0.00 H new ATOM 0 HD22 ASN A 63 16.201 13.795 -33.078 1.00 0.00 H new ATOM 905 N GLY A 64 18.634 9.040 -33.906 1.00 0.00 N ATOM 906 CA GLY A 64 19.320 8.071 -34.739 1.00 0.00 C ATOM 907 C GLY A 64 20.815 8.328 -34.867 1.00 0.00 C ATOM 908 O GLY A 64 21.553 7.456 -35.326 1.00 0.00 O ATOM 0 H GLY A 64 19.221 9.799 -33.560 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.165 7.074 -34.326 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.872 8.077 -35.733 1.00 0.00 H new ATOM 912 N ARG A 65 21.273 9.516 -34.469 1.00 0.00 N ATOM 913 CA ARG A 65 22.691 9.845 -34.558 1.00 0.00 C ATOM 914 C ARG A 65 23.359 9.741 -33.193 1.00 0.00 C ATOM 915 O ARG A 65 22.769 9.229 -32.242 1.00 0.00 O ATOM 916 CB ARG A 65 22.883 11.251 -35.133 1.00 0.00 C ATOM 917 CG ARG A 65 22.354 12.358 -34.234 1.00 0.00 C ATOM 918 CD ARG A 65 21.440 13.304 -34.994 1.00 0.00 C ATOM 919 NE ARG A 65 20.604 12.592 -35.950 1.00 0.00 N ATOM 920 CZ ARG A 65 19.940 13.184 -36.938 1.00 0.00 C ATOM 921 NH1 ARG A 65 20.021 14.497 -37.102 1.00 0.00 N ATOM 922 NH2 ARG A 65 19.200 12.462 -37.768 1.00 0.00 N ATOM 0 H ARG A 65 20.687 10.258 -34.086 1.00 0.00 H new ATOM 0 HA ARG A 65 23.162 9.126 -35.228 1.00 0.00 H new ATOM 0 HB2 ARG A 65 23.945 11.418 -35.313 1.00 0.00 H new ATOM 0 HB3 ARG A 65 22.382 11.310 -36.099 1.00 0.00 H new ATOM 0 HG2 ARG A 65 21.811 11.920 -33.397 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.190 12.917 -33.814 1.00 0.00 H new ATOM 0 HD2 ARG A 65 20.808 13.844 -34.289 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.040 14.047 -35.518 1.00 0.00 H new ATOM 0 HE ARG A 65 20.523 11.580 -35.856 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.594 15.056 -36.469 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.511 14.949 -37.861 1.00 0.00 H new ATOM 0 HH21 ARG A 65 19.139 11.451 -37.649 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.691 12.918 -38.525 1.00 0.00 H new ATOM 936 N THR A 66 24.593 10.227 -33.102 1.00 0.00 N ATOM 937 CA THR A 66 25.338 10.180 -31.849 1.00 0.00 C ATOM 938 C THR A 66 26.062 11.496 -31.581 1.00 0.00 C ATOM 939 O THR A 66 26.381 12.241 -32.509 1.00 0.00 O ATOM 940 CB THR A 66 26.362 9.028 -31.851 1.00 0.00 C ATOM 941 OG1 THR A 66 25.727 7.809 -32.254 1.00 0.00 O ATOM 942 CG2 THR A 66 26.985 8.848 -30.474 1.00 0.00 C ATOM 0 H THR A 66 25.097 10.656 -33.878 1.00 0.00 H new ATOM 0 HA THR A 66 24.610 10.009 -31.056 1.00 0.00 H new ATOM 0 HB THR A 66 27.153 9.279 -32.558 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.384 7.082 -32.254 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.703 8.029 -30.504 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.494 9.767 -30.182 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.204 8.619 -29.748 1.00 0.00 H new ATOM 950 N PHE A 67 26.314 11.779 -30.306 1.00 0.00 N ATOM 951 CA PHE A 67 26.994 13.008 -29.914 1.00 0.00 C ATOM 952 C PHE A 67 27.939 12.763 -28.738 1.00 0.00 C ATOM 953 O PHE A 67 27.541 12.200 -27.717 1.00 0.00 O ATOM 954 CB PHE A 67 25.969 14.081 -29.542 1.00 0.00 C ATOM 955 CG PHE A 67 24.716 14.032 -30.373 1.00 0.00 C ATOM 956 CD1 PHE A 67 23.905 12.907 -30.370 1.00 0.00 C ATOM 957 CD2 PHE A 67 24.348 15.115 -31.154 1.00 0.00 C ATOM 958 CE1 PHE A 67 22.752 12.864 -31.132 1.00 0.00 C ATOM 959 CE2 PHE A 67 23.197 15.078 -31.918 1.00 0.00 C ATOM 960 CZ PHE A 67 22.398 13.950 -31.906 1.00 0.00 C ATOM 0 H PHE A 67 26.057 11.173 -29.527 1.00 0.00 H new ATOM 0 HA PHE A 67 27.585 13.352 -30.763 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.702 13.968 -28.491 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.429 15.063 -29.650 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.177 12.055 -29.765 1.00 0.00 H new ATOM 0 HD2 PHE A 67 24.968 15.999 -31.166 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.129 11.982 -31.121 1.00 0.00 H new ATOM 0 HE2 PHE A 67 22.922 15.929 -32.523 1.00 0.00 H new ATOM 0 HZ PHE A 67 21.498 13.919 -32.502 1.00 0.00 H new ATOM 970 N TYR A 68 29.191 13.186 -28.891 1.00 0.00 N ATOM 971 CA TYR A 68 30.194 13.014 -27.847 1.00 0.00 C ATOM 972 C TYR A 68 30.044 14.072 -26.757 1.00 0.00 C ATOM 973 O TYR A 68 30.724 14.017 -25.732 1.00 0.00 O ATOM 974 CB TYR A 68 31.599 13.091 -28.448 1.00 0.00 C ATOM 975 CG TYR A 68 31.967 11.898 -29.297 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.041 10.903 -29.569 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.244 11.768 -29.820 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.378 9.808 -30.343 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.592 10.679 -30.594 1.00 0.00 C ATOM 980 CZ TYR A 68 32.655 9.701 -30.853 1.00 0.00 C ATOM 981 OH TYR A 68 32.997 8.612 -31.623 1.00 0.00 O ATOM 0 H TYR A 68 29.535 13.652 -29.731 1.00 0.00 H new ATOM 0 HA TYR A 68 30.044 12.033 -27.397 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.675 13.994 -29.054 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.324 13.187 -27.640 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.041 10.984 -29.170 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.980 12.532 -29.618 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.646 9.041 -30.547 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.592 10.594 -30.994 1.00 0.00 H new ATOM 0 HH TYR A 68 33.835 8.796 -32.096 1.00 0.00 H new ATOM 991 N SER A 69 29.158 15.037 -26.983 1.00 0.00 N ATOM 992 CA SER A 69 28.936 16.106 -26.014 1.00 0.00 C ATOM 993 C SER A 69 27.657 16.877 -26.322 1.00 0.00 C ATOM 994 O SER A 69 26.880 16.491 -27.196 1.00 0.00 O ATOM 995 CB SER A 69 30.129 17.065 -26.000 1.00 0.00 C ATOM 996 OG SER A 69 31.305 16.409 -25.559 1.00 0.00 O ATOM 0 H SER A 69 28.584 15.101 -27.824 1.00 0.00 H new ATOM 0 HA SER A 69 28.830 15.647 -25.031 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.287 17.468 -27.000 1.00 0.00 H new ATOM 0 HB3 SER A 69 29.913 17.910 -25.346 1.00 0.00 H new ATOM 0 HG SER A 69 31.067 15.549 -25.153 1.00 0.00 H new ATOM 1002 N CYS A 70 27.445 17.970 -25.594 1.00 0.00 N ATOM 1003 CA CYS A 70 26.263 18.801 -25.783 1.00 0.00 C ATOM 1004 C CYS A 70 26.019 19.069 -27.263 1.00 0.00 C ATOM 1005 O CYS A 70 26.888 18.822 -28.098 1.00 0.00 O ATOM 1006 CB CYS A 70 26.419 20.122 -25.030 1.00 0.00 C ATOM 1007 SG CYS A 70 27.160 19.953 -23.373 1.00 0.00 S ATOM 0 H CYS A 70 28.079 18.300 -24.866 1.00 0.00 H new ATOM 0 HA CYS A 70 25.402 18.264 -25.384 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.036 20.796 -25.625 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.439 20.590 -24.932 1.00 0.00 H new ATOM 1012 N THR A 71 24.833 19.573 -27.582 1.00 0.00 N ATOM 1013 CA THR A 71 24.481 19.869 -28.965 1.00 0.00 C ATOM 1014 C THR A 71 23.211 20.709 -29.047 1.00 0.00 C ATOM 1015 O THR A 71 22.739 21.244 -28.043 1.00 0.00 O ATOM 1016 CB THR A 71 24.274 18.578 -29.776 1.00 0.00 C ATOM 1017 OG1 THR A 71 23.914 18.899 -31.126 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.189 17.716 -29.151 1.00 0.00 C ATOM 0 H THR A 71 24.101 19.785 -26.904 1.00 0.00 H new ATOM 0 HA THR A 71 25.313 20.432 -29.387 1.00 0.00 H new ATOM 0 HB THR A 71 25.210 18.019 -29.772 1.00 0.00 H new ATOM 0 HG1 THR A 71 23.786 18.072 -31.636 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.060 16.809 -29.741 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.477 17.449 -28.134 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.251 18.271 -29.129 1.00 0.00 H new ATOM 1026 N THR A 72 22.664 20.815 -30.251 1.00 0.00 N ATOM 1027 CA THR A 72 21.448 21.585 -30.476 1.00 0.00 C ATOM 1028 C THR A 72 20.632 20.987 -31.617 1.00 0.00 C ATOM 1029 O THR A 72 20.418 21.631 -32.644 1.00 0.00 O ATOM 1030 CB THR A 72 21.768 23.052 -30.805 1.00 0.00 C ATOM 1031 OG1 THR A 72 22.942 23.127 -31.625 1.00 0.00 O ATOM 1032 CG2 THR A 72 21.982 23.855 -29.533 1.00 0.00 C ATOM 0 H THR A 72 23.045 20.376 -31.089 1.00 0.00 H new ATOM 0 HA THR A 72 20.868 21.547 -29.554 1.00 0.00 H new ATOM 0 HB THR A 72 20.921 23.473 -31.346 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.138 24.065 -31.831 1.00 0.00 H new ATOM 0 HG21 THR A 72 22.207 24.890 -29.790 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.078 23.820 -28.924 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.814 23.431 -28.971 1.00 0.00 H new ATOM 1040 N GLU A 73 20.189 19.747 -31.435 1.00 0.00 N ATOM 1041 CA GLU A 73 19.405 19.058 -32.455 1.00 0.00 C ATOM 1042 C GLU A 73 17.928 19.004 -32.079 1.00 0.00 C ATOM 1043 O GLU A 73 17.056 19.277 -32.904 1.00 0.00 O ATOM 1044 CB GLU A 73 19.942 17.641 -32.662 1.00 0.00 C ATOM 1045 CG GLU A 73 21.122 17.574 -33.616 1.00 0.00 C ATOM 1046 CD GLU A 73 20.798 18.138 -34.985 1.00 0.00 C ATOM 1047 OE1 GLU A 73 19.657 17.941 -35.454 1.00 0.00 O ATOM 1048 OE2 GLU A 73 21.685 18.778 -35.589 1.00 0.00 O ATOM 0 H GLU A 73 20.359 19.199 -30.592 1.00 0.00 H new ATOM 0 HA GLU A 73 19.497 19.620 -33.384 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.241 17.230 -31.698 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.140 17.009 -33.044 1.00 0.00 H new ATOM 0 HG2 GLU A 73 21.961 18.124 -33.190 1.00 0.00 H new ATOM 0 HG3 GLU A 73 21.441 16.537 -33.721 1.00 0.00 H new ATOM 1055 N GLY A 74 17.655 18.645 -30.832 1.00 0.00 N ATOM 1056 CA GLY A 74 16.283 18.555 -30.371 1.00 0.00 C ATOM 1057 C GLY A 74 15.974 19.543 -29.265 1.00 0.00 C ATOM 1058 O GLY A 74 15.791 19.159 -28.110 1.00 0.00 O ATOM 0 H GLY A 74 18.359 18.414 -30.131 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.610 18.732 -31.210 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.089 17.543 -30.014 1.00 0.00 H new ATOM 1122 N HIS A 79 19.114 26.562 -26.056 1.00 0.00 N ATOM 1123 CA HIS A 79 20.220 26.294 -25.143 1.00 0.00 C ATOM 1124 C HIS A 79 20.801 24.903 -25.379 1.00 0.00 C ATOM 1125 O HIS A 79 20.089 23.903 -25.291 1.00 0.00 O ATOM 1126 CB HIS A 79 19.747 26.416 -23.693 1.00 0.00 C ATOM 1127 CG HIS A 79 18.716 27.481 -23.486 1.00 0.00 C ATOM 1128 ND1 HIS A 79 18.666 28.636 -24.237 1.00 0.00 N ATOM 1129 CD2 HIS A 79 17.688 27.559 -22.608 1.00 0.00 C ATOM 1130 CE1 HIS A 79 17.652 29.380 -23.830 1.00 0.00 C ATOM 1131 NE2 HIS A 79 17.043 28.749 -22.843 1.00 0.00 N ATOM 0 HA HIS A 79 21.000 27.031 -25.333 1.00 0.00 H new ATOM 0 HB2 HIS A 79 19.337 25.458 -23.372 1.00 0.00 H new ATOM 0 HB3 HIS A 79 20.606 26.625 -23.056 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.424 26.823 -21.862 1.00 0.00 H new ATOM 0 HE1 HIS A 79 17.370 30.340 -24.236 1.00 0.00 H new ATOM 0 HE2 HIS A 79 16.226 29.090 -22.337 1.00 0.00 H new ATOM 1140 N LEU A 80 22.100 24.838 -25.664 1.00 0.00 N ATOM 1141 CA LEU A 80 22.762 23.560 -25.891 1.00 0.00 C ATOM 1142 C LEU A 80 22.286 22.544 -24.862 1.00 0.00 C ATOM 1143 O LEU A 80 21.985 22.906 -23.727 1.00 0.00 O ATOM 1144 CB LEU A 80 24.281 23.722 -25.799 1.00 0.00 C ATOM 1145 CG LEU A 80 24.990 23.969 -27.131 1.00 0.00 C ATOM 1146 CD1 LEU A 80 24.475 25.241 -27.782 1.00 0.00 C ATOM 1147 CD2 LEU A 80 26.496 24.045 -26.925 1.00 0.00 C ATOM 0 H LEU A 80 22.710 25.652 -25.742 1.00 0.00 H new ATOM 0 HA LEU A 80 22.509 23.206 -26.891 1.00 0.00 H new ATOM 0 HB2 LEU A 80 24.502 24.552 -25.128 1.00 0.00 H new ATOM 0 HB3 LEU A 80 24.699 22.824 -25.344 1.00 0.00 H new ATOM 0 HG LEU A 80 24.775 23.133 -27.797 1.00 0.00 H new ATOM 0 HD11 LEU A 80 24.991 25.400 -28.729 1.00 0.00 H new ATOM 0 HD12 LEU A 80 23.404 25.149 -27.964 1.00 0.00 H new ATOM 0 HD13 LEU A 80 24.659 26.088 -27.121 1.00 0.00 H new ATOM 0 HD21 LEU A 80 26.986 24.221 -27.883 1.00 0.00 H new ATOM 0 HD22 LEU A 80 26.729 24.862 -26.242 1.00 0.00 H new ATOM 0 HD23 LEU A 80 26.853 23.106 -26.502 1.00 0.00 H new ATOM 1159 N TRP A 81 22.209 21.279 -25.257 1.00 0.00 N ATOM 1160 CA TRP A 81 21.754 20.233 -24.348 1.00 0.00 C ATOM 1161 C TRP A 81 22.587 18.963 -24.487 1.00 0.00 C ATOM 1162 O TRP A 81 23.209 18.720 -25.521 1.00 0.00 O ATOM 1163 CB TRP A 81 20.282 19.915 -24.607 1.00 0.00 C ATOM 1164 CG TRP A 81 20.020 19.405 -25.991 1.00 0.00 C ATOM 1165 CD1 TRP A 81 19.685 20.146 -27.088 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.073 18.042 -26.428 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.525 19.326 -28.180 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.759 18.031 -27.800 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.357 16.830 -25.791 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.720 16.854 -28.545 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.319 15.664 -26.532 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.003 15.683 -27.896 1.00 0.00 C ATOM 0 H TRP A 81 22.453 20.954 -26.192 1.00 0.00 H new ATOM 0 HA TRP A 81 21.875 20.605 -23.331 1.00 0.00 H new ATOM 0 HB2 TRP A 81 19.945 19.172 -23.884 1.00 0.00 H new ATOM 0 HB3 TRP A 81 19.689 20.814 -24.440 1.00 0.00 H new ATOM 0 HD1 TRP A 81 19.564 21.219 -27.097 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.273 19.632 -29.120 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.602 16.806 -24.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.475 16.866 -29.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.537 14.722 -26.051 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.982 14.754 -28.447 1.00 0.00 H new ATOM 1183 N CYS A 82 22.582 18.152 -23.432 1.00 0.00 N ATOM 1184 CA CYS A 82 23.323 16.897 -23.415 1.00 0.00 C ATOM 1185 C CYS A 82 22.519 15.818 -22.697 1.00 0.00 C ATOM 1186 O CYS A 82 21.625 16.123 -21.906 1.00 0.00 O ATOM 1187 CB CYS A 82 24.680 17.084 -22.730 1.00 0.00 C ATOM 1188 SG CYS A 82 24.638 16.895 -20.916 1.00 0.00 S ATOM 0 H CYS A 82 22.068 18.345 -22.572 1.00 0.00 H new ATOM 0 HA CYS A 82 23.493 16.584 -24.445 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.385 16.362 -23.143 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.062 18.076 -22.971 1.00 0.00 H new ATOM 1193 N SER A 83 22.840 14.559 -22.968 1.00 0.00 N ATOM 1194 CA SER A 83 22.141 13.446 -22.335 1.00 0.00 C ATOM 1195 C SER A 83 22.868 13.006 -21.070 1.00 0.00 C ATOM 1196 O SER A 83 24.096 12.940 -21.042 1.00 0.00 O ATOM 1197 CB SER A 83 22.012 12.269 -23.306 1.00 0.00 C ATOM 1198 OG SER A 83 21.255 11.217 -22.733 1.00 0.00 O ATOM 0 H SER A 83 23.576 14.283 -23.618 1.00 0.00 H new ATOM 0 HA SER A 83 21.141 13.784 -22.062 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.536 12.604 -24.228 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.003 11.904 -23.574 1.00 0.00 H new ATOM 0 HG SER A 83 21.861 10.547 -22.353 1.00 0.00 H new ATOM 1204 N THR A 84 22.105 12.710 -20.023 1.00 0.00 N ATOM 1205 CA THR A 84 22.681 12.281 -18.754 1.00 0.00 C ATOM 1206 C THR A 84 22.379 10.811 -18.485 1.00 0.00 C ATOM 1207 O THR A 84 23.064 10.159 -17.696 1.00 0.00 O ATOM 1208 CB THR A 84 22.151 13.127 -17.583 1.00 0.00 C ATOM 1209 OG1 THR A 84 20.740 12.933 -17.437 1.00 0.00 O ATOM 1210 CG2 THR A 84 22.444 14.604 -17.806 1.00 0.00 C ATOM 0 H THR A 84 21.086 12.759 -20.028 1.00 0.00 H new ATOM 0 HA THR A 84 23.759 12.419 -18.831 1.00 0.00 H new ATOM 0 HB THR A 84 22.658 12.805 -16.673 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.398 13.530 -16.739 1.00 0.00 H new ATOM 0 HG21 THR A 84 22.060 15.182 -16.965 1.00 0.00 H new ATOM 0 HG22 THR A 84 23.521 14.753 -17.887 1.00 0.00 H new ATOM 0 HG23 THR A 84 21.961 14.936 -18.725 1.00 0.00 H new ATOM 1218 N THR A 85 21.352 10.295 -19.151 1.00 0.00 N ATOM 1219 CA THR A 85 20.958 8.902 -18.992 1.00 0.00 C ATOM 1220 C THR A 85 20.986 8.174 -20.331 1.00 0.00 C ATOM 1221 O THR A 85 20.267 8.539 -21.260 1.00 0.00 O ATOM 1222 CB THR A 85 19.546 8.782 -18.386 1.00 0.00 C ATOM 1223 OG1 THR A 85 19.562 9.211 -17.019 1.00 0.00 O ATOM 1224 CG2 THR A 85 19.039 7.350 -18.467 1.00 0.00 C ATOM 0 H THR A 85 20.777 10.823 -19.807 1.00 0.00 H new ATOM 0 HA THR A 85 21.676 8.443 -18.312 1.00 0.00 H new ATOM 0 HB THR A 85 18.874 9.420 -18.960 1.00 0.00 H new ATOM 0 HG1 THR A 85 18.661 9.134 -16.641 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.041 7.292 -18.033 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.000 7.036 -19.510 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.713 6.694 -17.916 1.00 0.00 H new ATOM 1232 N SER A 86 21.821 7.143 -20.425 1.00 0.00 N ATOM 1233 CA SER A 86 21.943 6.367 -21.655 1.00 0.00 C ATOM 1234 C SER A 86 20.591 6.234 -22.348 1.00 0.00 C ATOM 1235 O SER A 86 20.517 6.154 -23.575 1.00 0.00 O ATOM 1236 CB SER A 86 22.516 4.981 -21.353 1.00 0.00 C ATOM 1237 OG SER A 86 23.037 4.921 -20.037 1.00 0.00 O ATOM 0 H SER A 86 22.423 6.826 -19.665 1.00 0.00 H new ATOM 0 HA SER A 86 22.623 6.894 -22.324 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.737 4.228 -21.474 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.302 4.745 -22.070 1.00 0.00 H new ATOM 0 HG SER A 86 23.396 4.025 -19.868 1.00 0.00 H new ATOM 1243 N ASN A 87 19.526 6.210 -21.555 1.00 0.00 N ATOM 1244 CA ASN A 87 18.177 6.084 -22.092 1.00 0.00 C ATOM 1245 C ASN A 87 17.500 7.448 -22.186 1.00 0.00 C ATOM 1246 O ASN A 87 16.488 7.690 -21.531 1.00 0.00 O ATOM 1247 CB ASN A 87 17.341 5.160 -21.207 1.00 0.00 C ATOM 1248 CG ASN A 87 16.840 3.941 -21.951 1.00 0.00 C ATOM 1249 OD1 ASN A 87 17.136 3.753 -23.132 1.00 0.00 O ATOM 1250 ND2 ASN A 87 16.076 3.102 -21.261 1.00 0.00 N ATOM 0 H ASN A 87 19.571 6.276 -20.538 1.00 0.00 H new ATOM 0 HA ASN A 87 18.251 5.659 -23.093 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.939 4.840 -20.354 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.490 5.714 -20.810 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.709 2.262 -21.708 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.856 3.298 -20.284 1.00 0.00 H new ATOM 1257 N TYR A 88 18.056 8.334 -23.004 1.00 0.00 N ATOM 1258 CA TYR A 88 17.487 9.662 -23.171 1.00 0.00 C ATOM 1259 C TYR A 88 16.221 9.597 -24.012 1.00 0.00 C ATOM 1260 O TYR A 88 15.295 10.386 -23.827 1.00 0.00 O ATOM 1261 CB TYR A 88 18.495 10.602 -23.831 1.00 0.00 C ATOM 1262 CG TYR A 88 17.848 11.824 -24.439 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.567 12.938 -23.663 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.505 11.854 -25.785 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.964 14.051 -24.210 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.899 12.966 -26.339 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.631 14.061 -25.547 1.00 0.00 C ATOM 1268 OH TYR A 88 16.027 15.170 -26.094 1.00 0.00 O ATOM 0 H TYR A 88 18.894 8.157 -23.558 1.00 0.00 H new ATOM 0 HA TYR A 88 17.239 10.049 -22.183 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.230 10.917 -23.090 1.00 0.00 H new ATOM 0 HB3 TYR A 88 19.036 10.060 -24.606 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.824 12.934 -22.614 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.715 10.997 -26.407 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.753 14.912 -23.593 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.637 12.976 -27.387 1.00 0.00 H new ATOM 0 HH TYR A 88 15.860 15.015 -27.047 1.00 0.00 H new ATOM 1278 N GLU A 89 16.192 8.653 -24.944 1.00 0.00 N ATOM 1279 CA GLU A 89 15.046 8.486 -25.821 1.00 0.00 C ATOM 1280 C GLU A 89 13.846 7.943 -25.053 1.00 0.00 C ATOM 1281 O GLU A 89 12.727 7.922 -25.566 1.00 0.00 O ATOM 1282 CB GLU A 89 15.395 7.552 -26.980 1.00 0.00 C ATOM 1283 CG GLU A 89 16.155 6.309 -26.549 1.00 0.00 C ATOM 1284 CD GLU A 89 15.554 5.035 -27.110 1.00 0.00 C ATOM 1285 OE1 GLU A 89 14.526 5.122 -27.814 1.00 0.00 O ATOM 1286 OE2 GLU A 89 16.113 3.949 -26.845 1.00 0.00 O ATOM 0 H GLU A 89 16.951 7.992 -25.110 1.00 0.00 H new ATOM 0 HA GLU A 89 14.782 9.464 -26.222 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.476 7.250 -27.482 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.992 8.099 -27.710 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.192 6.391 -26.874 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.165 6.253 -25.460 1.00 0.00 H new ATOM 1293 N GLN A 90 14.085 7.504 -23.821 1.00 0.00 N ATOM 1294 CA GLN A 90 13.020 6.960 -22.988 1.00 0.00 C ATOM 1295 C GLN A 90 12.866 7.768 -21.705 1.00 0.00 C ATOM 1296 O GLN A 90 11.751 8.009 -21.241 1.00 0.00 O ATOM 1297 CB GLN A 90 13.310 5.498 -22.659 1.00 0.00 C ATOM 1298 CG GLN A 90 14.270 4.851 -23.636 1.00 0.00 C ATOM 1299 CD GLN A 90 14.471 3.374 -23.365 1.00 0.00 C ATOM 1300 OE1 GLN A 90 13.945 2.832 -22.393 1.00 0.00 O ATOM 1301 NE2 GLN A 90 15.234 2.711 -24.228 1.00 0.00 N ATOM 0 H GLN A 90 15.004 7.515 -23.379 1.00 0.00 H new ATOM 0 HA GLN A 90 12.084 7.022 -23.543 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.725 5.433 -21.653 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.374 4.940 -22.654 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.893 4.982 -24.650 1.00 0.00 H new ATOM 0 HG3 GLN A 90 15.232 5.360 -23.585 1.00 0.00 H new ATOM 0 HE21 GLN A 90 15.651 3.200 -25.020 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.403 1.714 -24.098 1.00 0.00 H new ATOM 1310 N ASP A 91 13.991 8.187 -21.141 1.00 0.00 N ATOM 1311 CA ASP A 91 13.981 8.973 -19.915 1.00 0.00 C ATOM 1312 C ASP A 91 13.956 10.464 -20.232 1.00 0.00 C ATOM 1313 O ASP A 91 13.418 11.262 -19.465 1.00 0.00 O ATOM 1314 CB ASP A 91 15.203 8.639 -19.056 1.00 0.00 C ATOM 1315 CG ASP A 91 14.820 8.093 -17.694 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.771 8.511 -17.161 1.00 0.00 O ATOM 1317 OD2 ASP A 91 15.570 7.248 -17.161 1.00 0.00 O ATOM 0 H ASP A 91 14.921 7.996 -21.513 1.00 0.00 H new ATOM 0 HA ASP A 91 13.079 8.721 -19.357 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.821 7.908 -19.577 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.810 9.535 -18.928 1.00 0.00 H new ATOM 1322 N GLN A 92 14.541 10.834 -21.368 1.00 0.00 N ATOM 1323 CA GLN A 92 14.583 12.230 -21.781 1.00 0.00 C ATOM 1324 C GLN A 92 15.452 13.050 -20.833 1.00 0.00 C ATOM 1325 O GLN A 92 15.438 14.279 -20.869 1.00 0.00 O ATOM 1326 CB GLN A 92 13.169 12.811 -21.830 1.00 0.00 C ATOM 1327 CG GLN A 92 12.256 12.112 -22.824 1.00 0.00 C ATOM 1328 CD GLN A 92 12.220 12.808 -24.171 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.174 13.294 -24.603 1.00 0.00 O ATOM 1330 NE2 GLN A 92 13.364 12.858 -24.843 1.00 0.00 N ATOM 0 H GLN A 92 14.991 10.187 -22.016 1.00 0.00 H new ATOM 0 HA GLN A 92 15.021 12.277 -22.778 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.725 12.749 -20.836 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.229 13.869 -22.086 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.591 11.084 -22.959 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.247 12.067 -22.415 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.207 12.442 -24.447 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.400 13.312 -25.755 1.00 0.00 H new ATOM 1339 N LYS A 93 16.208 12.357 -19.986 1.00 0.00 N ATOM 1340 CA LYS A 93 17.084 13.020 -19.028 1.00 0.00 C ATOM 1341 C LYS A 93 18.213 13.745 -19.744 1.00 0.00 C ATOM 1342 O LYS A 93 19.199 13.134 -20.156 1.00 0.00 O ATOM 1343 CB LYS A 93 17.650 12.004 -18.036 1.00 0.00 C ATOM 1344 CG LYS A 93 16.691 11.660 -16.907 1.00 0.00 C ATOM 1345 CD LYS A 93 15.241 11.792 -17.348 1.00 0.00 C ATOM 1346 CE LYS A 93 14.279 11.446 -16.222 1.00 0.00 C ATOM 1347 NZ LYS A 93 13.210 12.471 -16.071 1.00 0.00 N ATOM 0 H LYS A 93 16.231 11.338 -19.944 1.00 0.00 H new ATOM 0 HA LYS A 93 16.498 13.757 -18.479 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.910 11.091 -18.572 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.573 12.398 -17.611 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.878 10.641 -16.567 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.876 12.318 -16.058 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.054 12.811 -17.686 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.058 11.135 -18.198 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.825 10.474 -16.418 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.832 11.357 -15.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.575 12.199 -15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.641 13.393 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.666 12.538 -16.955 1.00 0.00 H new ATOM 1361 N TYR A 94 18.056 15.053 -19.895 1.00 0.00 N ATOM 1362 CA TYR A 94 19.055 15.871 -20.570 1.00 0.00 C ATOM 1363 C TYR A 94 19.414 17.101 -19.745 1.00 0.00 C ATOM 1364 O TYR A 94 18.707 17.464 -18.805 1.00 0.00 O ATOM 1365 CB TYR A 94 18.537 16.306 -21.941 1.00 0.00 C ATOM 1366 CG TYR A 94 17.472 17.378 -21.871 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.791 18.677 -21.497 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.147 17.090 -22.178 1.00 0.00 C ATOM 1369 CE1 TYR A 94 16.820 19.660 -21.432 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.172 18.068 -22.116 1.00 0.00 C ATOM 1371 CZ TYR A 94 15.513 19.350 -21.742 1.00 0.00 C ATOM 1372 OH TYR A 94 14.545 20.326 -21.678 1.00 0.00 O ATOM 0 H TYR A 94 17.245 15.572 -19.558 1.00 0.00 H new ATOM 0 HA TYR A 94 19.954 15.267 -20.693 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.373 16.674 -22.537 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.133 15.437 -22.461 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.814 18.924 -21.253 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.875 16.086 -22.470 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.085 20.666 -21.140 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.147 17.829 -22.360 1.00 0.00 H new ATOM 0 HH TYR A 94 13.678 19.944 -21.928 1.00 0.00 H new ATOM 1382 N SER A 95 20.516 17.743 -20.116 1.00 0.00 N ATOM 1383 CA SER A 95 20.979 18.943 -19.429 1.00 0.00 C ATOM 1384 C SER A 95 21.237 20.057 -20.438 1.00 0.00 C ATOM 1385 O SER A 95 20.794 19.975 -21.585 1.00 0.00 O ATOM 1386 CB SER A 95 22.252 18.646 -18.634 1.00 0.00 C ATOM 1387 OG SER A 95 22.748 17.351 -18.931 1.00 0.00 O ATOM 0 H SER A 95 21.108 17.450 -20.893 1.00 0.00 H new ATOM 0 HA SER A 95 20.204 19.268 -18.734 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.012 19.392 -18.866 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.045 18.724 -17.567 1.00 0.00 H new ATOM 0 HG SER A 95 23.584 17.429 -19.437 1.00 0.00 H new ATOM 1393 N PHE A 96 21.954 21.092 -20.019 1.00 0.00 N ATOM 1394 CA PHE A 96 22.259 22.204 -20.910 1.00 0.00 C ATOM 1395 C PHE A 96 23.765 22.392 -21.057 1.00 0.00 C ATOM 1396 O PHE A 96 24.555 21.678 -20.440 1.00 0.00 O ATOM 1397 CB PHE A 96 21.625 23.499 -20.400 1.00 0.00 C ATOM 1398 CG PHE A 96 20.170 23.660 -20.756 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.648 23.097 -21.913 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.322 24.384 -19.931 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.313 23.252 -22.234 1.00 0.00 C ATOM 1402 CE2 PHE A 96 17.988 24.541 -20.249 1.00 0.00 C ATOM 1403 CZ PHE A 96 17.483 23.975 -21.403 1.00 0.00 C ATOM 0 H PHE A 96 22.332 21.185 -19.076 1.00 0.00 H new ATOM 0 HA PHE A 96 21.840 21.966 -21.888 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.728 23.537 -19.316 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.181 24.345 -20.803 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.293 22.532 -22.569 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.711 24.831 -19.028 1.00 0.00 H new ATOM 0 HE1 PHE A 96 17.919 22.807 -23.136 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.340 25.106 -19.596 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.440 24.098 -21.654 1.00 0.00 H new ATOM 1413 N CYS A 97 24.152 23.360 -21.881 1.00 0.00 N ATOM 1414 CA CYS A 97 25.560 23.650 -22.114 1.00 0.00 C ATOM 1415 C CYS A 97 25.762 25.125 -22.436 1.00 0.00 C ATOM 1416 O CYS A 97 25.364 25.601 -23.499 1.00 0.00 O ATOM 1417 CB CYS A 97 26.097 22.790 -23.259 1.00 0.00 C ATOM 1418 SG CYS A 97 27.608 21.861 -22.844 1.00 0.00 S ATOM 0 H CYS A 97 23.508 23.958 -22.399 1.00 0.00 H new ATOM 0 HA CYS A 97 26.110 23.414 -21.203 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.323 22.086 -23.565 1.00 0.00 H new ATOM 0 HB3 CYS A 97 26.301 23.431 -24.116 1.00 0.00 H new ATOM 1423 N THR A 98 26.381 25.845 -21.508 1.00 0.00 N ATOM 1424 CA THR A 98 26.638 27.263 -21.685 1.00 0.00 C ATOM 1425 C THR A 98 27.334 27.537 -23.011 1.00 0.00 C ATOM 1426 O THR A 98 26.694 27.917 -23.992 1.00 0.00 O ATOM 1427 CB THR A 98 27.507 27.812 -20.543 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.809 27.215 -20.585 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.861 27.538 -19.196 1.00 0.00 C ATOM 0 H THR A 98 26.714 25.465 -20.622 1.00 0.00 H new ATOM 0 HA THR A 98 25.671 27.765 -21.678 1.00 0.00 H new ATOM 0 HB THR A 98 27.600 28.890 -20.672 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.356 27.572 -19.855 1.00 0.00 H new ATOM 0 HG21 THR A 98 27.493 27.935 -18.402 1.00 0.00 H new ATOM 0 HG22 THR A 98 25.884 28.019 -19.157 1.00 0.00 H new ATOM 0 HG23 THR A 98 26.742 26.463 -19.062 1.00 0.00 H new