USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 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 43 THR OG1 : rot 180:sc= 0.0728 USER MOD Set 1.2: A 46 ASN : amide:sc= -3.97! K(o=-3.9!,f=0.88) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.918 (180deg=-0.365!) USER MOD Single : A 9 ASN : amide:sc= -1.99! K(o=-2!,f=-0.046) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.769 K(o=-0.77,f=-1.4!) USER MOD Single : A 16 GLN : amide:sc= -0.884! X(o=-0.88!,f=-0.98) USER MOD Single : A 17 SER OG : rot -60:sc= 1.11 USER MOD Single : A 19 CYS SG : rot 19:sc= 0.0916 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 120:sc= -0.177 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0.148 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -142:sc= 0.402 (180deg=-1.44!) USER MOD Single : A 59 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=-0.011) USER MOD Single : A 60 HIS : no HD1:sc= -0.0455 K(o=-0.045,f=-1.1) USER MOD Single : A 61 HIS : no HD1:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0779 X(o=-0.078,f=0) USER MOD Single : A 63 HIS : no HE2:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 64 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.297 -32.400 21.590 1.00 1.00 N ATOM 2 CA MET A 1 -5.354 -33.165 20.314 1.00 1.00 C ATOM 3 C MET A 1 -4.061 -32.947 19.534 1.00 1.00 C ATOM 4 O MET A 1 -3.510 -31.846 19.523 1.00 1.00 O ATOM 5 CB MET A 1 -6.549 -32.685 19.487 1.00 1.00 C ATOM 6 CG MET A 1 -7.838 -32.890 20.287 1.00 1.00 C ATOM 7 SD MET A 1 -8.052 -31.517 21.447 1.00 1.00 S ATOM 8 CE MET A 1 -9.813 -31.772 21.777 1.00 1.00 C ATOM 0 H1 MET A 1 -5.418 -33.052 22.391 1.00 1.00 H new ATOM 0 H2 MET A 1 -4.376 -31.923 21.668 1.00 1.00 H new ATOM 0 H3 MET A 1 -6.057 -31.690 21.603 1.00 1.00 H new ATOM 0 HA MET A 1 -5.469 -34.228 20.527 1.00 1.00 H new ATOM 0 HB2 MET A 1 -6.430 -31.632 19.233 1.00 1.00 H new ATOM 0 HB3 MET A 1 -6.600 -33.236 18.548 1.00 1.00 H new ATOM 0 HG2 MET A 1 -8.692 -32.947 19.612 1.00 1.00 H new ATOM 0 HG3 MET A 1 -7.796 -33.835 20.829 1.00 1.00 H new ATOM 0 HE1 MET A 1 -10.163 -31.020 22.483 1.00 1.00 H new ATOM 0 HE2 MET A 1 -10.374 -31.685 20.846 1.00 1.00 H new ATOM 0 HE3 MET A 1 -9.964 -32.765 22.200 1.00 1.00 H new ATOM 20 N GLU A 2 -3.583 -34.003 18.884 1.00 1.00 N ATOM 21 CA GLU A 2 -2.354 -33.915 18.105 1.00 1.00 C ATOM 22 C GLU A 2 -2.435 -34.810 16.872 1.00 1.00 C ATOM 23 O GLU A 2 -2.241 -36.022 16.959 1.00 1.00 O ATOM 24 CB GLU A 2 -1.159 -34.334 18.963 1.00 1.00 C ATOM 25 CG GLU A 2 -1.593 -35.427 19.942 1.00 1.00 C ATOM 26 CD GLU A 2 -0.367 -36.131 20.514 1.00 1.00 C ATOM 27 OE1 GLU A 2 0.510 -36.474 19.738 1.00 1.00 O ATOM 28 OE2 GLU A 2 -0.322 -36.316 21.719 1.00 1.00 O ATOM 0 H GLU A 2 -4.024 -34.923 18.881 1.00 1.00 H new ATOM 0 HA GLU A 2 -2.225 -32.882 17.783 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -0.352 -34.699 18.328 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -0.771 -33.475 19.509 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -2.182 -34.991 20.749 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -2.233 -36.148 19.434 1.00 1.00 H new ATOM 35 N GLU A 3 -2.725 -34.203 15.725 1.00 1.00 N ATOM 36 CA GLU A 3 -2.830 -34.957 14.480 1.00 1.00 C ATOM 37 C GLU A 3 -2.180 -34.189 13.333 1.00 1.00 C ATOM 38 O GLU A 3 -2.780 -34.013 12.272 1.00 1.00 O ATOM 39 CB GLU A 3 -4.300 -35.221 14.152 1.00 1.00 C ATOM 40 CG GLU A 3 -4.840 -36.318 15.070 1.00 1.00 C ATOM 41 CD GLU A 3 -6.356 -36.412 14.936 1.00 1.00 C ATOM 42 OE1 GLU A 3 -6.984 -35.374 14.804 1.00 1.00 O ATOM 43 OE2 GLU A 3 -6.867 -37.519 14.969 1.00 1.00 O ATOM 0 H GLU A 3 -2.890 -33.201 15.631 1.00 1.00 H new ATOM 0 HA GLU A 3 -2.311 -35.907 14.607 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -4.881 -34.308 14.279 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -4.402 -35.522 13.109 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -4.384 -37.275 14.814 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -4.571 -36.103 16.104 1.00 1.00 H new ATOM 50 N GLY A 4 -0.951 -33.733 13.554 1.00 1.00 N ATOM 51 CA GLY A 4 -0.230 -32.986 12.531 1.00 1.00 C ATOM 52 C GLY A 4 0.994 -32.295 13.123 1.00 1.00 C ATOM 53 O GLY A 4 2.131 -32.677 12.844 1.00 1.00 O ATOM 0 H GLY A 4 -0.437 -33.866 14.425 1.00 1.00 H new ATOM 0 HA2 GLY A 4 0.079 -33.660 11.732 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -0.891 -32.244 12.083 1.00 1.00 H new ATOM 57 N GLY A 5 0.754 -31.276 13.942 1.00 1.00 N ATOM 58 CA GLY A 5 1.845 -30.538 14.568 1.00 1.00 C ATOM 59 C GLY A 5 2.632 -29.744 13.531 1.00 1.00 C ATOM 60 O GLY A 5 2.379 -28.559 13.321 1.00 1.00 O ATOM 0 H GLY A 5 -0.179 -30.944 14.186 1.00 1.00 H new ATOM 0 HA2 GLY A 5 1.445 -29.861 15.323 1.00 1.00 H new ATOM 0 HA3 GLY A 5 2.510 -31.232 15.082 1.00 1.00 H new ATOM 64 N ASP A 6 3.587 -30.407 12.886 1.00 1.00 N ATOM 65 CA ASP A 6 4.405 -29.751 11.872 1.00 1.00 C ATOM 66 C ASP A 6 4.801 -28.350 12.326 1.00 1.00 C ATOM 67 O ASP A 6 4.707 -28.020 13.508 1.00 1.00 O ATOM 68 CB ASP A 6 3.633 -29.664 10.555 1.00 1.00 C ATOM 69 CG ASP A 6 4.552 -30.009 9.388 1.00 1.00 C ATOM 70 OD1 ASP A 6 5.368 -29.174 9.035 1.00 1.00 O ATOM 71 OD2 ASP A 6 4.426 -31.104 8.864 1.00 1.00 O ATOM 0 H ASP A 6 3.812 -31.389 13.045 1.00 1.00 H new ATOM 0 HA ASP A 6 5.309 -30.341 11.724 1.00 1.00 H new ATOM 0 HB2 ASP A 6 2.785 -30.348 10.575 1.00 1.00 H new ATOM 0 HB3 ASP A 6 3.229 -28.660 10.426 1.00 1.00 H new ATOM 76 N PHE A 7 5.244 -27.530 11.379 1.00 1.00 N ATOM 77 CA PHE A 7 5.651 -26.165 11.693 1.00 1.00 C ATOM 78 C PHE A 7 4.543 -25.180 11.338 1.00 1.00 C ATOM 79 O PHE A 7 3.688 -25.467 10.500 1.00 1.00 O ATOM 80 CB PHE A 7 6.922 -25.808 10.919 1.00 1.00 C ATOM 81 CG PHE A 7 8.007 -25.410 11.889 1.00 1.00 C ATOM 82 CD1 PHE A 7 7.947 -24.171 12.538 1.00 1.00 C ATOM 83 CD2 PHE A 7 9.076 -26.280 12.140 1.00 1.00 C ATOM 84 CE1 PHE A 7 8.954 -23.801 13.438 1.00 1.00 C ATOM 85 CE2 PHE A 7 10.082 -25.910 13.040 1.00 1.00 C ATOM 86 CZ PHE A 7 10.021 -24.671 13.689 1.00 1.00 C ATOM 0 H PHE A 7 5.330 -27.784 10.395 1.00 1.00 H new ATOM 0 HA PHE A 7 5.848 -26.102 12.763 1.00 1.00 H new ATOM 0 HB2 PHE A 7 7.248 -26.659 10.322 1.00 1.00 H new ATOM 0 HB3 PHE A 7 6.721 -24.991 10.226 1.00 1.00 H new ATOM 0 HD1 PHE A 7 7.123 -23.500 12.344 1.00 1.00 H new ATOM 0 HD2 PHE A 7 9.124 -27.236 11.639 1.00 1.00 H new ATOM 0 HE1 PHE A 7 8.907 -22.845 13.938 1.00 1.00 H new ATOM 0 HE2 PHE A 7 10.906 -26.581 13.234 1.00 1.00 H new ATOM 0 HZ PHE A 7 10.798 -24.387 14.384 1.00 1.00 H new ATOM 96 N ASP A 8 4.564 -24.016 11.980 1.00 1.00 N ATOM 97 CA ASP A 8 3.555 -22.995 11.724 1.00 1.00 C ATOM 98 C ASP A 8 4.111 -21.606 12.020 1.00 1.00 C ATOM 99 O ASP A 8 3.566 -20.870 12.843 1.00 1.00 O ATOM 100 CB ASP A 8 2.323 -23.249 12.593 1.00 1.00 C ATOM 101 CG ASP A 8 1.621 -24.526 12.143 1.00 1.00 C ATOM 102 OD1 ASP A 8 2.153 -25.592 12.403 1.00 1.00 O ATOM 103 OD2 ASP A 8 0.563 -24.418 11.545 1.00 1.00 O ATOM 0 H ASP A 8 5.263 -23.758 12.676 1.00 1.00 H new ATOM 0 HA ASP A 8 3.274 -23.045 10.672 1.00 1.00 H new ATOM 0 HB2 ASP A 8 2.617 -23.335 13.639 1.00 1.00 H new ATOM 0 HB3 ASP A 8 1.638 -22.404 12.523 1.00 1.00 H new ATOM 108 N ASN A 9 5.201 -21.254 11.345 1.00 1.00 N ATOM 109 CA ASN A 9 5.822 -19.950 11.544 1.00 1.00 C ATOM 110 C ASN A 9 6.296 -19.373 10.213 1.00 1.00 C ATOM 111 O ASN A 9 7.412 -18.865 10.108 1.00 1.00 O ATOM 112 CB ASN A 9 7.011 -20.079 12.497 1.00 1.00 C ATOM 113 CG ASN A 9 7.307 -18.731 13.147 1.00 1.00 C ATOM 114 OD1 ASN A 9 8.036 -18.664 14.136 1.00 1.00 O ATOM 115 ND2 ASN A 9 6.781 -17.646 12.647 1.00 1.00 N ATOM 0 H ASN A 9 5.669 -21.848 10.661 1.00 1.00 H new ATOM 0 HA ASN A 9 5.081 -19.277 11.976 1.00 1.00 H new ATOM 0 HB2 ASN A 9 6.794 -20.822 13.264 1.00 1.00 H new ATOM 0 HB3 ASN A 9 7.888 -20.430 11.953 1.00 1.00 H new ATOM 0 HD21 ASN A 9 6.974 -16.741 13.076 1.00 1.00 H new ATOM 0 HD22 ASN A 9 6.177 -17.703 11.827 1.00 1.00 H new ATOM 122 N TYR A 10 5.439 -19.456 9.200 1.00 1.00 N ATOM 123 CA TYR A 10 5.780 -18.937 7.881 1.00 1.00 C ATOM 124 C TYR A 10 6.214 -17.478 7.972 1.00 1.00 C ATOM 125 O TYR A 10 5.380 -16.574 8.024 1.00 1.00 O ATOM 126 CB TYR A 10 4.576 -19.055 6.946 1.00 1.00 C ATOM 127 CG TYR A 10 4.682 -20.331 6.144 1.00 1.00 C ATOM 128 CD1 TYR A 10 5.420 -20.349 4.953 1.00 1.00 C ATOM 129 CD2 TYR A 10 4.045 -21.494 6.591 1.00 1.00 C ATOM 130 CE1 TYR A 10 5.518 -21.531 4.210 1.00 1.00 C ATOM 131 CE2 TYR A 10 4.144 -22.676 5.848 1.00 1.00 C ATOM 132 CZ TYR A 10 4.881 -22.695 4.658 1.00 1.00 C ATOM 133 OH TYR A 10 4.979 -23.860 3.925 1.00 1.00 O ATOM 0 H TYR A 10 4.511 -19.874 9.266 1.00 1.00 H new ATOM 0 HA TYR A 10 6.608 -19.525 7.485 1.00 1.00 H new ATOM 0 HB2 TYR A 10 3.652 -19.052 7.524 1.00 1.00 H new ATOM 0 HB3 TYR A 10 4.536 -18.195 6.277 1.00 1.00 H new ATOM 0 HD1 TYR A 10 5.913 -19.452 4.609 1.00 1.00 H new ATOM 0 HD2 TYR A 10 3.477 -21.480 7.509 1.00 1.00 H new ATOM 0 HE1 TYR A 10 6.085 -21.545 3.291 1.00 1.00 H new ATOM 0 HE2 TYR A 10 3.652 -23.573 6.193 1.00 1.00 H new ATOM 0 HH TYR A 10 4.480 -24.573 4.376 1.00 1.00 H new ATOM 143 N TYR A 11 7.524 -17.255 7.994 1.00 1.00 N ATOM 144 CA TYR A 11 8.058 -15.901 8.080 1.00 1.00 C ATOM 145 C TYR A 11 7.537 -15.045 6.930 1.00 1.00 C ATOM 146 O TYR A 11 6.999 -15.564 5.951 1.00 1.00 O ATOM 147 CB TYR A 11 9.586 -15.939 8.039 1.00 1.00 C ATOM 148 CG TYR A 11 10.038 -16.915 6.981 1.00 1.00 C ATOM 149 CD1 TYR A 11 9.958 -16.569 5.627 1.00 1.00 C ATOM 150 CD2 TYR A 11 10.539 -18.169 7.355 1.00 1.00 C ATOM 151 CE1 TYR A 11 10.377 -17.475 4.647 1.00 1.00 C ATOM 152 CE2 TYR A 11 10.959 -19.074 6.373 1.00 1.00 C ATOM 153 CZ TYR A 11 10.878 -18.728 5.019 1.00 1.00 C ATOM 154 OH TYR A 11 11.291 -19.622 4.052 1.00 1.00 O ATOM 0 H TYR A 11 8.231 -17.989 7.954 1.00 1.00 H new ATOM 0 HA TYR A 11 7.731 -15.461 9.022 1.00 1.00 H new ATOM 0 HB2 TYR A 11 9.979 -14.945 7.824 1.00 1.00 H new ATOM 0 HB3 TYR A 11 9.979 -16.234 9.012 1.00 1.00 H new ATOM 0 HD1 TYR A 11 9.573 -15.602 5.339 1.00 1.00 H new ATOM 0 HD2 TYR A 11 10.601 -18.437 8.399 1.00 1.00 H new ATOM 0 HE1 TYR A 11 10.314 -17.208 3.603 1.00 1.00 H new ATOM 0 HE2 TYR A 11 11.346 -20.040 6.660 1.00 1.00 H new ATOM 0 HH TYR A 11 11.612 -20.443 4.481 1.00 1.00 H new ATOM 164 N GLY A 12 7.700 -13.733 7.053 1.00 1.00 N ATOM 165 CA GLY A 12 7.243 -12.815 6.018 1.00 1.00 C ATOM 166 C GLY A 12 7.898 -11.446 6.173 1.00 1.00 C ATOM 167 O GLY A 12 7.231 -10.415 6.089 1.00 1.00 O ATOM 0 H GLY A 12 8.143 -13.283 7.854 1.00 1.00 H new ATOM 0 HA2 GLY A 12 7.476 -13.224 5.035 1.00 1.00 H new ATOM 0 HA3 GLY A 12 6.159 -12.712 6.071 1.00 1.00 H new ATOM 171 N ALA A 13 9.207 -11.446 6.402 1.00 1.00 N ATOM 172 CA ALA A 13 9.942 -10.197 6.568 1.00 1.00 C ATOM 173 C ALA A 13 11.329 -10.305 5.943 1.00 1.00 C ATOM 174 O ALA A 13 12.342 -10.196 6.635 1.00 1.00 O ATOM 175 CB ALA A 13 10.074 -9.863 8.055 1.00 1.00 C ATOM 0 H ALA A 13 9.777 -12.289 6.476 1.00 1.00 H new ATOM 0 HA ALA A 13 9.391 -9.402 6.065 1.00 1.00 H new ATOM 0 HB1 ALA A 13 10.624 -8.929 8.171 1.00 1.00 H new ATOM 0 HB2 ALA A 13 9.082 -9.757 8.493 1.00 1.00 H new ATOM 0 HB3 ALA A 13 10.610 -10.665 8.562 1.00 1.00 H new ATOM 181 N ASP A 14 11.367 -10.521 4.632 1.00 1.00 N ATOM 182 CA ASP A 14 12.637 -10.642 3.925 1.00 1.00 C ATOM 183 C ASP A 14 13.015 -9.316 3.271 1.00 1.00 C ATOM 184 O ASP A 14 13.359 -9.272 2.090 1.00 1.00 O ATOM 185 CB ASP A 14 12.537 -11.731 2.855 1.00 1.00 C ATOM 186 CG ASP A 14 11.776 -12.933 3.404 1.00 1.00 C ATOM 187 OD1 ASP A 14 10.597 -12.785 3.683 1.00 1.00 O ATOM 188 OD2 ASP A 14 12.382 -13.983 3.538 1.00 1.00 O ATOM 0 H ASP A 14 10.540 -10.615 4.042 1.00 1.00 H new ATOM 0 HA ASP A 14 13.409 -10.911 4.646 1.00 1.00 H new ATOM 0 HB2 ASP A 14 12.029 -11.340 1.973 1.00 1.00 H new ATOM 0 HB3 ASP A 14 13.535 -12.035 2.539 1.00 1.00 H new ATOM 193 N ASN A 15 12.948 -8.239 4.047 1.00 1.00 N ATOM 194 CA ASN A 15 13.286 -6.917 3.531 1.00 1.00 C ATOM 195 C ASN A 15 14.094 -6.132 4.560 1.00 1.00 C ATOM 196 O ASN A 15 14.396 -4.956 4.359 1.00 1.00 O ATOM 197 CB ASN A 15 12.008 -6.149 3.188 1.00 1.00 C ATOM 198 CG ASN A 15 11.758 -5.063 4.230 1.00 1.00 C ATOM 199 OD1 ASN A 15 12.132 -3.908 4.026 1.00 1.00 O ATOM 200 ND2 ASN A 15 11.142 -5.367 5.340 1.00 1.00 N ATOM 0 H ASN A 15 12.665 -8.254 5.027 1.00 1.00 H new ATOM 0 HA ASN A 15 13.888 -7.040 2.631 1.00 1.00 H new ATOM 0 HB2 ASN A 15 12.097 -5.701 2.198 1.00 1.00 H new ATOM 0 HB3 ASN A 15 11.160 -6.834 3.153 1.00 1.00 H new ATOM 0 HD21 ASN A 15 10.969 -4.647 6.041 1.00 1.00 H new ATOM 0 HD22 ASN A 15 10.833 -6.325 5.506 1.00 1.00 H new ATOM 207 N GLN A 16 14.442 -6.791 5.660 1.00 1.00 N ATOM 208 CA GLN A 16 15.215 -6.145 6.714 1.00 1.00 C ATOM 209 C GLN A 16 16.548 -5.642 6.168 1.00 1.00 C ATOM 210 O GLN A 16 17.136 -4.704 6.706 1.00 1.00 O ATOM 211 CB GLN A 16 15.467 -7.130 7.856 1.00 1.00 C ATOM 212 CG GLN A 16 16.344 -8.279 7.355 1.00 1.00 C ATOM 213 CD GLN A 16 15.830 -9.605 7.904 1.00 1.00 C ATOM 214 OE1 GLN A 16 16.548 -10.300 8.624 1.00 1.00 O ATOM 215 NE2 GLN A 16 14.623 -10.001 7.604 1.00 1.00 N ATOM 0 H GLN A 16 14.203 -7.765 5.844 1.00 1.00 H new ATOM 0 HA GLN A 16 14.645 -5.295 7.089 1.00 1.00 H new ATOM 0 HB2 GLN A 16 15.955 -6.622 8.688 1.00 1.00 H new ATOM 0 HB3 GLN A 16 14.520 -7.518 8.231 1.00 1.00 H new ATOM 0 HG2 GLN A 16 16.341 -8.301 6.265 1.00 1.00 H new ATOM 0 HG3 GLN A 16 17.376 -8.122 7.667 1.00 1.00 H new ATOM 0 HE21 GLN A 16 14.030 -9.424 7.008 1.00 1.00 H new ATOM 0 HE22 GLN A 16 14.272 -10.888 7.966 1.00 1.00 H new ATOM 224 N SER A 17 17.019 -6.274 5.097 1.00 1.00 N ATOM 225 CA SER A 17 18.283 -5.883 4.485 1.00 1.00 C ATOM 226 C SER A 17 19.326 -5.573 5.555 1.00 1.00 C ATOM 227 O SER A 17 19.400 -4.450 6.056 1.00 1.00 O ATOM 228 CB SER A 17 18.076 -4.655 3.600 1.00 1.00 C ATOM 229 OG SER A 17 19.140 -3.737 3.811 1.00 1.00 O ATOM 0 H SER A 17 16.548 -7.054 4.638 1.00 1.00 H new ATOM 0 HA SER A 17 18.642 -6.713 3.876 1.00 1.00 H new ATOM 0 HB2 SER A 17 18.039 -4.951 2.552 1.00 1.00 H new ATOM 0 HB3 SER A 17 17.122 -4.182 3.832 1.00 1.00 H new ATOM 0 HG SER A 17 19.152 -3.460 4.751 1.00 1.00 H new ATOM 235 N GLU A 18 20.128 -6.574 5.901 1.00 1.00 N ATOM 236 CA GLU A 18 21.163 -6.396 6.913 1.00 1.00 C ATOM 237 C GLU A 18 22.366 -5.665 6.327 1.00 1.00 C ATOM 238 O GLU A 18 23.235 -6.277 5.706 1.00 1.00 O ATOM 239 CB GLU A 18 21.603 -7.756 7.456 1.00 1.00 C ATOM 240 CG GLU A 18 22.158 -7.588 8.871 1.00 1.00 C ATOM 241 CD GLU A 18 22.970 -8.817 9.262 1.00 1.00 C ATOM 242 OE1 GLU A 18 22.986 -9.763 8.492 1.00 1.00 O ATOM 243 OE2 GLU A 18 23.565 -8.796 10.327 1.00 1.00 O ATOM 0 H GLU A 18 20.082 -7.510 5.499 1.00 1.00 H new ATOM 0 HA GLU A 18 20.750 -5.798 7.726 1.00 1.00 H new ATOM 0 HB2 GLU A 18 20.759 -8.446 7.465 1.00 1.00 H new ATOM 0 HB3 GLU A 18 22.362 -8.190 6.806 1.00 1.00 H new ATOM 0 HG2 GLU A 18 22.784 -6.697 8.921 1.00 1.00 H new ATOM 0 HG3 GLU A 18 21.340 -7.443 9.577 1.00 1.00 H new ATOM 250 N CYS A 19 22.410 -4.352 6.528 1.00 1.00 N ATOM 251 CA CYS A 19 23.513 -3.546 6.016 1.00 1.00 C ATOM 252 C CYS A 19 23.943 -2.510 7.047 1.00 1.00 C ATOM 253 O CYS A 19 23.219 -2.235 8.003 1.00 1.00 O ATOM 254 CB CYS A 19 23.088 -2.840 4.726 1.00 1.00 C ATOM 255 SG CYS A 19 23.298 -3.966 3.325 1.00 1.00 S ATOM 0 H CYS A 19 21.700 -3.826 7.038 1.00 1.00 H new ATOM 0 HA CYS A 19 24.355 -4.206 5.809 1.00 1.00 H new ATOM 0 HB2 CYS A 19 22.048 -2.522 4.798 1.00 1.00 H new ATOM 0 HB3 CYS A 19 23.686 -1.941 4.577 1.00 1.00 H new ATOM 0 HG CYS A 19 23.366 -5.190 3.758 1.00 1.00 H new ATOM 261 N GLU A 20 25.127 -1.939 6.849 1.00 1.00 N ATOM 262 CA GLU A 20 25.648 -0.933 7.769 1.00 1.00 C ATOM 263 C GLU A 20 25.967 -1.557 9.124 1.00 1.00 C ATOM 264 O GLU A 20 27.126 -1.619 9.532 1.00 1.00 O ATOM 265 CB GLU A 20 24.627 0.192 7.950 1.00 1.00 C ATOM 266 CG GLU A 20 23.911 0.455 6.623 1.00 1.00 C ATOM 267 CD GLU A 20 23.580 1.939 6.495 1.00 1.00 C ATOM 268 OE1 GLU A 20 22.545 2.340 6.999 1.00 1.00 O ATOM 269 OE2 GLU A 20 24.369 2.650 5.895 1.00 1.00 O ATOM 0 H GLU A 20 25.742 -2.154 6.064 1.00 1.00 H new ATOM 0 HA GLU A 20 26.566 -0.524 7.346 1.00 1.00 H new ATOM 0 HB2 GLU A 20 23.903 -0.081 8.718 1.00 1.00 H new ATOM 0 HB3 GLU A 20 25.127 1.099 8.291 1.00 1.00 H new ATOM 0 HG2 GLU A 20 24.542 0.141 5.791 1.00 1.00 H new ATOM 0 HG3 GLU A 20 22.997 -0.136 6.570 1.00 1.00 H new ATOM 276 N TYR A 21 24.931 -2.021 9.815 1.00 1.00 N ATOM 277 CA TYR A 21 25.112 -2.638 11.122 1.00 1.00 C ATOM 278 C TYR A 21 25.904 -3.936 10.994 1.00 1.00 C ATOM 279 O TYR A 21 26.178 -4.608 11.988 1.00 1.00 O ATOM 280 CB TYR A 21 23.748 -2.931 11.746 1.00 1.00 C ATOM 281 CG TYR A 21 22.678 -2.169 11.001 1.00 1.00 C ATOM 282 CD1 TYR A 21 22.553 -0.786 11.177 1.00 1.00 C ATOM 283 CD2 TYR A 21 21.813 -2.845 10.133 1.00 1.00 C ATOM 284 CE1 TYR A 21 21.562 -0.079 10.486 1.00 1.00 C ATOM 285 CE2 TYR A 21 20.822 -2.139 9.441 1.00 1.00 C ATOM 286 CZ TYR A 21 20.696 -0.756 9.617 1.00 1.00 C ATOM 287 OH TYR A 21 19.720 -0.060 8.934 1.00 1.00 O ATOM 0 H TYR A 21 23.964 -1.982 9.494 1.00 1.00 H new ATOM 0 HA TYR A 21 25.666 -1.949 11.760 1.00 1.00 H new ATOM 0 HB2 TYR A 21 23.541 -4.000 11.708 1.00 1.00 H new ATOM 0 HB3 TYR A 21 23.748 -2.644 12.798 1.00 1.00 H new ATOM 0 HD1 TYR A 21 23.221 -0.264 11.846 1.00 1.00 H new ATOM 0 HD2 TYR A 21 21.910 -3.912 9.997 1.00 1.00 H new ATOM 0 HE1 TYR A 21 21.465 0.988 10.623 1.00 1.00 H new ATOM 0 HE2 TYR A 21 20.155 -2.661 8.771 1.00 1.00 H new ATOM 0 HH TYR A 21 19.208 -0.680 8.374 1.00 1.00 H new ATOM 297 N THR A 22 26.268 -4.281 9.764 1.00 1.00 N ATOM 298 CA THR A 22 27.028 -5.500 9.516 1.00 1.00 C ATOM 299 C THR A 22 28.525 -5.231 9.620 1.00 1.00 C ATOM 300 O THR A 22 29.285 -6.074 10.097 1.00 1.00 O ATOM 301 CB THR A 22 26.701 -6.044 8.124 1.00 1.00 C ATOM 302 OG1 THR A 22 25.850 -5.129 7.448 1.00 1.00 O ATOM 303 CG2 THR A 22 26.001 -7.396 8.253 1.00 1.00 C ATOM 0 H THR A 22 26.051 -3.738 8.928 1.00 1.00 H new ATOM 0 HA THR A 22 26.751 -6.237 10.270 1.00 1.00 H new ATOM 0 HB THR A 22 27.623 -6.170 7.557 1.00 1.00 H new ATOM 0 HG1 THR A 22 26.288 -4.820 6.628 1.00 1.00 H new ATOM 0 HG21 THR A 22 25.769 -7.782 7.260 1.00 1.00 H new ATOM 0 HG22 THR A 22 26.656 -8.097 8.771 1.00 1.00 H new ATOM 0 HG23 THR A 22 25.078 -7.275 8.820 1.00 1.00 H new ATOM 311 N ASP A 23 28.942 -4.053 9.172 1.00 1.00 N ATOM 312 CA ASP A 23 30.351 -3.685 9.220 1.00 1.00 C ATOM 313 C ASP A 23 30.688 -3.029 10.554 1.00 1.00 C ATOM 314 O ASP A 23 31.651 -2.269 10.659 1.00 1.00 O ATOM 315 CB ASP A 23 30.680 -2.722 8.078 1.00 1.00 C ATOM 316 CG ASP A 23 30.456 -1.282 8.527 1.00 1.00 C ATOM 317 OD1 ASP A 23 29.323 -0.945 8.827 1.00 1.00 O ATOM 318 OD2 ASP A 23 31.422 -0.537 8.562 1.00 1.00 O ATOM 0 H ASP A 23 28.329 -3.341 8.774 1.00 1.00 H new ATOM 0 HA ASP A 23 30.947 -4.591 9.113 1.00 1.00 H new ATOM 0 HB2 ASP A 23 31.715 -2.857 7.765 1.00 1.00 H new ATOM 0 HB3 ASP A 23 30.054 -2.943 7.213 1.00 1.00 H new ATOM 323 N TRP A 24 29.888 -3.328 11.572 1.00 1.00 N ATOM 324 CA TRP A 24 30.107 -2.764 12.899 1.00 1.00 C ATOM 325 C TRP A 24 31.567 -2.931 13.322 1.00 1.00 C ATOM 326 O TRP A 24 32.435 -2.172 12.892 1.00 1.00 O ATOM 327 CB TRP A 24 29.184 -3.442 13.918 1.00 1.00 C ATOM 328 CG TRP A 24 28.969 -4.877 13.542 1.00 1.00 C ATOM 329 CD1 TRP A 24 29.851 -5.651 12.870 1.00 1.00 C ATOM 330 CD2 TRP A 24 27.809 -5.716 13.809 1.00 1.00 C ATOM 331 NE1 TRP A 24 29.307 -6.911 12.707 1.00 1.00 N ATOM 332 CE2 TRP A 24 28.048 -7.002 13.269 1.00 1.00 C ATOM 333 CE3 TRP A 24 26.582 -5.490 14.461 1.00 1.00 C ATOM 334 CZ2 TRP A 24 27.106 -8.025 13.371 1.00 1.00 C ATOM 335 CZ3 TRP A 24 25.632 -6.518 14.566 1.00 1.00 C ATOM 336 CH2 TRP A 24 25.894 -7.784 14.022 1.00 1.00 C ATOM 0 H TRP A 24 29.086 -3.955 11.505 1.00 1.00 H new ATOM 0 HA TRP A 24 29.877 -1.699 12.863 1.00 1.00 H new ATOM 0 HB2 TRP A 24 29.622 -3.381 14.914 1.00 1.00 H new ATOM 0 HB3 TRP A 24 28.227 -2.921 13.957 1.00 1.00 H new ATOM 0 HD1 TRP A 24 30.822 -5.336 12.518 1.00 1.00 H new ATOM 0 HE1 TRP A 24 29.778 -7.680 12.230 1.00 1.00 H new ATOM 0 HE3 TRP A 24 26.370 -4.519 14.883 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 27.312 -8.998 12.949 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 24.694 -6.333 15.068 1.00 1.00 H new ATOM 0 HH2 TRP A 24 25.160 -8.571 14.106 1.00 1.00 H new ATOM 347 N LYS A 25 31.831 -3.924 14.165 1.00 1.00 N ATOM 348 CA LYS A 25 33.190 -4.174 14.634 1.00 1.00 C ATOM 349 C LYS A 25 33.813 -5.343 13.877 1.00 1.00 C ATOM 350 O LYS A 25 33.958 -6.438 14.418 1.00 1.00 O ATOM 351 CB LYS A 25 33.176 -4.483 16.132 1.00 1.00 C ATOM 352 CG LYS A 25 32.227 -5.651 16.403 1.00 1.00 C ATOM 353 CD LYS A 25 31.092 -5.186 17.319 1.00 1.00 C ATOM 354 CE LYS A 25 30.122 -6.343 17.560 1.00 1.00 C ATOM 355 NZ LYS A 25 29.348 -6.091 18.808 1.00 1.00 N ATOM 0 H LYS A 25 31.129 -4.564 14.535 1.00 1.00 H new ATOM 0 HA LYS A 25 33.787 -3.280 14.453 1.00 1.00 H new ATOM 0 HB2 LYS A 25 34.181 -4.731 16.472 1.00 1.00 H new ATOM 0 HB3 LYS A 25 32.857 -3.604 16.692 1.00 1.00 H new ATOM 0 HG2 LYS A 25 31.820 -6.028 15.465 1.00 1.00 H new ATOM 0 HG3 LYS A 25 32.770 -6.474 16.868 1.00 1.00 H new ATOM 0 HD2 LYS A 25 31.497 -4.834 18.268 1.00 1.00 H new ATOM 0 HD3 LYS A 25 30.566 -4.346 16.866 1.00 1.00 H new ATOM 0 HE2 LYS A 25 29.444 -6.445 16.713 1.00 1.00 H new ATOM 0 HE3 LYS A 25 30.671 -7.281 17.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 28.688 -6.878 18.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 30.002 -6.014 19.613 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 28.813 -5.205 18.711 1.00 1.00 H new ATOM 369 N SER A 26 34.180 -5.101 12.623 1.00 1.00 N ATOM 370 CA SER A 26 34.787 -6.141 11.801 1.00 1.00 C ATOM 371 C SER A 26 36.184 -6.480 12.312 1.00 1.00 C ATOM 372 O SER A 26 36.475 -7.633 12.631 1.00 1.00 O ATOM 373 CB SER A 26 34.874 -5.673 10.348 1.00 1.00 C ATOM 374 OG SER A 26 35.951 -6.341 9.704 1.00 1.00 O ATOM 0 H SER A 26 34.069 -4.201 12.157 1.00 1.00 H new ATOM 0 HA SER A 26 34.164 -7.034 11.859 1.00 1.00 H new ATOM 0 HB2 SER A 26 33.938 -5.883 9.829 1.00 1.00 H new ATOM 0 HB3 SER A 26 35.025 -4.594 10.310 1.00 1.00 H new ATOM 0 HG SER A 26 36.009 -6.045 8.772 1.00 1.00 H new ATOM 380 N SER A 27 37.043 -5.469 12.389 1.00 1.00 N ATOM 381 CA SER A 27 38.407 -5.673 12.864 1.00 1.00 C ATOM 382 C SER A 27 38.426 -5.845 14.380 1.00 1.00 C ATOM 383 O SER A 27 39.478 -5.749 15.011 1.00 1.00 O ATOM 384 CB SER A 27 39.279 -4.480 12.473 1.00 1.00 C ATOM 385 OG SER A 27 38.476 -3.504 11.822 1.00 1.00 O ATOM 0 H SER A 27 36.822 -4.507 12.131 1.00 1.00 H new ATOM 0 HA SER A 27 38.802 -6.578 12.402 1.00 1.00 H new ATOM 0 HB2 SER A 27 39.746 -4.051 13.359 1.00 1.00 H new ATOM 0 HB3 SER A 27 40.084 -4.804 11.813 1.00 1.00 H new ATOM 0 HG SER A 27 39.032 -2.737 11.572 1.00 1.00 H new ATOM 391 N GLY A 28 37.255 -6.098 14.956 1.00 1.00 N ATOM 392 CA GLY A 28 37.150 -6.281 16.399 1.00 1.00 C ATOM 393 C GLY A 28 37.569 -5.017 17.141 1.00 1.00 C ATOM 394 O GLY A 28 37.616 -4.995 18.371 1.00 1.00 O ATOM 0 H GLY A 28 36.373 -6.180 14.451 1.00 1.00 H new ATOM 0 HA2 GLY A 28 36.124 -6.539 16.663 1.00 1.00 H new ATOM 0 HA3 GLY A 28 37.779 -7.115 16.710 1.00 1.00 H new ATOM 398 N ALA A 29 37.873 -3.967 16.386 1.00 1.00 N ATOM 399 CA ALA A 29 38.287 -2.703 16.984 1.00 1.00 C ATOM 400 C ALA A 29 39.463 -2.917 17.931 1.00 1.00 C ATOM 401 O ALA A 29 39.285 -3.362 19.065 1.00 1.00 O ATOM 402 CB ALA A 29 37.119 -2.080 17.750 1.00 1.00 C ATOM 0 H ALA A 29 37.841 -3.965 15.367 1.00 1.00 H new ATOM 0 HA ALA A 29 38.597 -2.030 16.185 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.437 -1.136 18.193 1.00 1.00 H new ATOM 0 HB2 ALA A 29 36.290 -1.898 17.065 1.00 1.00 H new ATOM 0 HB3 ALA A 29 36.796 -2.761 18.538 1.00 1.00 H new ATOM 408 N LEU A 30 40.663 -2.600 17.458 1.00 1.00 N ATOM 409 CA LEU A 30 41.862 -2.762 18.272 1.00 1.00 C ATOM 410 C LEU A 30 41.951 -1.658 19.321 1.00 1.00 C ATOM 411 O LEU A 30 41.561 -1.851 20.473 1.00 1.00 O ATOM 412 CB LEU A 30 43.107 -2.724 17.384 1.00 1.00 C ATOM 413 CG LEU A 30 43.257 -4.060 16.656 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.839 -3.822 15.261 1.00 1.00 C ATOM 415 CD2 LEU A 30 44.197 -4.970 17.451 1.00 1.00 C ATOM 0 H LEU A 30 40.831 -2.232 16.522 1.00 1.00 H new ATOM 0 HA LEU A 30 41.806 -3.726 18.778 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.027 -1.912 16.662 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.992 -2.526 17.989 1.00 1.00 H new ATOM 0 HG LEU A 30 42.280 -4.534 16.565 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.945 -4.775 14.744 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.171 -3.174 14.694 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.816 -3.347 15.351 1.00 1.00 H new ATOM 0 HD21 LEU A 30 44.305 -5.923 16.933 1.00 1.00 H new ATOM 0 HD22 LEU A 30 45.173 -4.494 17.542 1.00 1.00 H new ATOM 0 HD23 LEU A 30 43.783 -5.142 18.445 1.00 1.00 H new ATOM 427 N ILE A 31 42.465 -0.502 18.915 1.00 1.00 N ATOM 428 CA ILE A 31 42.598 0.626 19.829 1.00 1.00 C ATOM 429 C ILE A 31 41.272 1.383 19.990 1.00 1.00 C ATOM 430 O ILE A 31 40.990 1.905 21.069 1.00 1.00 O ATOM 431 CB ILE A 31 43.695 1.580 19.332 1.00 1.00 C ATOM 432 CG1 ILE A 31 45.060 1.081 19.825 1.00 1.00 C ATOM 433 CG2 ILE A 31 43.439 2.996 19.860 1.00 1.00 C ATOM 434 CD1 ILE A 31 45.364 1.653 21.213 1.00 1.00 C ATOM 0 H ILE A 31 42.794 -0.322 17.966 1.00 1.00 H new ATOM 0 HA ILE A 31 42.877 0.233 20.807 1.00 1.00 H new ATOM 0 HB ILE A 31 43.686 1.605 18.242 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.064 -0.008 19.864 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.839 1.378 19.123 1.00 1.00 H new ATOM 0 HG21 ILE A 31 44.222 3.665 19.502 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.471 3.348 19.504 1.00 1.00 H new ATOM 0 HG23 ILE A 31 43.442 2.984 20.950 1.00 1.00 H new ATOM 0 HD11 ILE A 31 46.335 1.291 21.551 1.00 1.00 H new ATOM 0 HD12 ILE A 31 45.380 2.742 21.162 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.594 1.334 21.915 1.00 1.00 H new ATOM 446 N PRO A 32 40.454 1.465 18.962 1.00 1.00 N ATOM 447 CA PRO A 32 39.148 2.188 19.046 1.00 1.00 C ATOM 448 C PRO A 32 38.251 1.623 20.144 1.00 1.00 C ATOM 449 O PRO A 32 37.255 2.238 20.523 1.00 1.00 O ATOM 450 CB PRO A 32 38.513 1.984 17.665 1.00 1.00 C ATOM 451 CG PRO A 32 39.635 1.608 16.758 1.00 1.00 C ATOM 452 CD PRO A 32 40.666 0.891 17.623 1.00 1.00 C ATOM 0 HA PRO A 32 39.285 3.239 19.299 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.754 1.202 17.694 1.00 1.00 H new ATOM 0 HB3 PRO A 32 38.020 2.894 17.322 1.00 1.00 H new ATOM 0 HG2 PRO A 32 39.284 0.960 15.954 1.00 1.00 H new ATOM 0 HG3 PRO A 32 40.068 2.492 16.289 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.511 -0.188 17.620 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.681 1.068 17.267 1.00 1.00 H new ATOM 460 N ALA A 33 38.612 0.449 20.651 1.00 1.00 N ATOM 461 CA ALA A 33 37.833 -0.190 21.705 1.00 1.00 C ATOM 462 C ALA A 33 38.156 0.432 23.060 1.00 1.00 C ATOM 463 O ALA A 33 37.296 0.512 23.938 1.00 1.00 O ATOM 464 CB ALA A 33 38.135 -1.689 21.744 1.00 1.00 C ATOM 0 H ALA A 33 39.433 -0.076 20.352 1.00 1.00 H new ATOM 0 HA ALA A 33 36.775 -0.040 21.491 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.549 -2.158 22.534 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.876 -2.137 20.785 1.00 1.00 H new ATOM 0 HB3 ALA A 33 39.196 -1.841 21.941 1.00 1.00 H new ATOM 470 N ILE A 34 39.399 0.872 23.222 1.00 1.00 N ATOM 471 CA ILE A 34 39.824 1.486 24.476 1.00 1.00 C ATOM 472 C ILE A 34 39.477 2.971 24.487 1.00 1.00 C ATOM 473 O ILE A 34 39.442 3.602 25.544 1.00 1.00 O ATOM 474 CB ILE A 34 41.332 1.311 24.658 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.668 -0.181 24.721 1.00 1.00 C ATOM 476 CG2 ILE A 34 41.772 1.987 25.957 1.00 1.00 C ATOM 477 CD1 ILE A 34 43.052 -0.419 24.117 1.00 1.00 C ATOM 0 H ILE A 34 40.125 0.816 22.508 1.00 1.00 H new ATOM 0 HA ILE A 34 39.301 0.995 25.296 1.00 1.00 H new ATOM 0 HB ILE A 34 41.854 1.767 23.817 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.647 -0.526 25.755 1.00 1.00 H new ATOM 0 HG13 ILE A 34 40.919 -0.756 24.177 1.00 1.00 H new ATOM 0 HG21 ILE A 34 42.847 1.862 26.086 1.00 1.00 H new ATOM 0 HG22 ILE A 34 41.533 3.050 25.913 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.250 1.532 26.799 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.291 -1.482 24.162 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.057 -0.090 23.078 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.796 0.144 24.680 1.00 1.00 H new ATOM 489 N TYR A 35 39.222 3.523 23.306 1.00 1.00 N ATOM 490 CA TYR A 35 38.879 4.936 23.191 1.00 1.00 C ATOM 491 C TYR A 35 37.463 5.188 23.698 1.00 1.00 C ATOM 492 O TYR A 35 37.179 6.236 24.278 1.00 1.00 O ATOM 493 CB TYR A 35 38.987 5.382 21.731 1.00 1.00 C ATOM 494 CG TYR A 35 39.556 6.778 21.671 1.00 1.00 C ATOM 495 CD1 TYR A 35 38.708 7.886 21.794 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.932 6.967 21.493 1.00 1.00 C ATOM 497 CE1 TYR A 35 39.235 9.182 21.737 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.459 8.263 21.437 1.00 1.00 C ATOM 499 CZ TYR A 35 40.610 9.370 21.560 1.00 1.00 C ATOM 500 OH TYR A 35 41.131 10.647 21.503 1.00 1.00 O ATOM 0 H TYR A 35 39.246 3.018 22.420 1.00 1.00 H new ATOM 0 HA TYR A 35 39.577 5.510 23.800 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.625 4.694 21.176 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.005 5.358 21.259 1.00 1.00 H new ATOM 0 HD1 TYR A 35 37.647 7.741 21.933 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.587 6.113 21.399 1.00 1.00 H new ATOM 0 HE1 TYR A 35 38.580 10.036 21.830 1.00 1.00 H new ATOM 0 HE2 TYR A 35 42.520 8.409 21.299 1.00 1.00 H new ATOM 0 HH TYR A 35 42.102 10.599 21.378 1.00 1.00 H new ATOM 510 N MET A 36 36.579 4.222 23.475 1.00 1.00 N ATOM 511 CA MET A 36 35.194 4.350 23.913 1.00 1.00 C ATOM 512 C MET A 36 35.066 4.019 25.396 1.00 1.00 C ATOM 513 O MET A 36 34.199 4.551 26.087 1.00 1.00 O ATOM 514 CB MET A 36 34.301 3.412 23.099 1.00 1.00 C ATOM 515 CG MET A 36 34.200 3.923 21.661 1.00 1.00 C ATOM 516 SD MET A 36 32.536 4.574 21.368 1.00 1.00 S ATOM 517 CE MET A 36 33.036 6.136 20.605 1.00 1.00 C ATOM 0 H MET A 36 36.794 3.347 22.997 1.00 1.00 H new ATOM 0 HA MET A 36 34.877 5.381 23.756 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.711 2.402 23.109 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.309 3.357 23.547 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.943 4.702 21.487 1.00 1.00 H new ATOM 0 HG3 MET A 36 34.415 3.116 20.961 1.00 1.00 H new ATOM 0 HE1 MET A 36 32.149 6.711 20.338 1.00 1.00 H new ATOM 0 HE2 MET A 36 33.641 6.708 21.309 1.00 1.00 H new ATOM 0 HE3 MET A 36 33.620 5.932 19.707 1.00 1.00 H new ATOM 527 N LEU A 37 35.937 3.139 25.879 1.00 1.00 N ATOM 528 CA LEU A 37 35.910 2.747 27.282 1.00 1.00 C ATOM 529 C LEU A 37 36.421 3.883 28.162 1.00 1.00 C ATOM 530 O LEU A 37 36.725 3.683 29.339 1.00 1.00 O ATOM 531 CB LEU A 37 36.780 1.502 27.495 1.00 1.00 C ATOM 532 CG LEU A 37 35.895 0.254 27.605 1.00 1.00 C ATOM 533 CD1 LEU A 37 35.080 0.302 28.902 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.944 0.193 26.407 1.00 1.00 C ATOM 0 H LEU A 37 36.664 2.687 25.324 1.00 1.00 H new ATOM 0 HA LEU A 37 34.880 2.521 27.558 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.478 1.390 26.666 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.376 1.616 28.400 1.00 1.00 H new ATOM 0 HG LEU A 37 36.529 -0.632 27.614 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.455 -0.588 28.972 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.757 0.338 29.756 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.448 1.190 28.902 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.316 -0.694 26.486 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.315 1.083 26.396 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.523 0.146 25.485 1.00 1.00 H new ATOM 546 N VAL A 38 36.513 5.076 27.584 1.00 1.00 N ATOM 547 CA VAL A 38 36.987 6.240 28.324 1.00 1.00 C ATOM 548 C VAL A 38 36.130 7.461 28.004 1.00 1.00 C ATOM 549 O VAL A 38 36.134 8.445 28.745 1.00 1.00 O ATOM 550 CB VAL A 38 38.445 6.529 27.966 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.918 7.776 28.715 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.313 5.334 28.368 1.00 1.00 C ATOM 0 H VAL A 38 36.267 5.262 26.612 1.00 1.00 H new ATOM 0 HA VAL A 38 36.912 6.026 29.390 1.00 1.00 H new ATOM 0 HB VAL A 38 38.529 6.697 26.892 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.957 7.982 28.459 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.299 8.627 28.431 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.835 7.609 29.789 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.353 5.538 28.114 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.228 5.167 29.442 1.00 1.00 H new ATOM 0 HG23 VAL A 38 38.977 4.445 27.835 1.00 1.00 H new ATOM 562 N PHE A 39 35.397 7.391 26.898 1.00 1.00 N ATOM 563 CA PHE A 39 34.538 8.497 26.491 1.00 1.00 C ATOM 564 C PHE A 39 33.180 8.399 27.179 1.00 1.00 C ATOM 565 O PHE A 39 32.831 9.240 28.007 1.00 1.00 O ATOM 566 CB PHE A 39 34.347 8.479 24.974 1.00 1.00 C ATOM 567 CG PHE A 39 33.921 9.848 24.503 1.00 1.00 C ATOM 568 CD1 PHE A 39 32.616 10.296 24.741 1.00 1.00 C ATOM 569 CD2 PHE A 39 34.832 10.672 23.829 1.00 1.00 C ATOM 570 CE1 PHE A 39 32.222 11.567 24.305 1.00 1.00 C ATOM 571 CE2 PHE A 39 34.437 11.942 23.393 1.00 1.00 C ATOM 572 CZ PHE A 39 33.132 12.390 23.631 1.00 1.00 C ATOM 0 H PHE A 39 35.380 6.586 26.271 1.00 1.00 H new ATOM 0 HA PHE A 39 35.015 9.432 26.785 1.00 1.00 H new ATOM 0 HB2 PHE A 39 35.276 8.187 24.484 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.595 7.739 24.700 1.00 1.00 H new ATOM 0 HD1 PHE A 39 31.913 9.661 25.261 1.00 1.00 H new ATOM 0 HD2 PHE A 39 35.839 10.327 23.646 1.00 1.00 H new ATOM 0 HE1 PHE A 39 31.215 11.913 24.489 1.00 1.00 H new ATOM 0 HE2 PHE A 39 35.139 12.577 22.873 1.00 1.00 H new ATOM 0 HZ PHE A 39 32.828 13.370 23.295 1.00 1.00 H new ATOM 582 N LEU A 40 32.420 7.367 26.830 1.00 1.00 N ATOM 583 CA LEU A 40 31.102 7.170 27.423 1.00 1.00 C ATOM 584 C LEU A 40 31.207 7.087 28.941 1.00 1.00 C ATOM 585 O LEU A 40 30.203 7.173 29.648 1.00 1.00 O ATOM 586 CB LEU A 40 30.470 5.885 26.881 1.00 1.00 C ATOM 587 CG LEU A 40 31.374 4.693 27.201 1.00 1.00 C ATOM 588 CD1 LEU A 40 30.781 3.899 28.366 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.475 3.788 25.971 1.00 1.00 C ATOM 0 H LEU A 40 32.690 6.660 26.146 1.00 1.00 H new ATOM 0 HA LEU A 40 30.474 8.021 27.159 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.485 5.737 27.325 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.325 5.965 25.804 1.00 1.00 H new ATOM 0 HG LEU A 40 32.366 5.053 27.474 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.426 3.050 28.593 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.705 4.542 29.243 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.789 3.539 28.093 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.119 2.938 26.197 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.482 3.429 25.701 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.896 4.351 25.138 1.00 1.00 H new ATOM 601 N LEU A 41 32.429 6.921 29.436 1.00 1.00 N ATOM 602 CA LEU A 41 32.653 6.830 30.874 1.00 1.00 C ATOM 603 C LEU A 41 32.635 8.219 31.502 1.00 1.00 C ATOM 604 O LEU A 41 32.019 8.431 32.547 1.00 1.00 O ATOM 605 CB LEU A 41 34.000 6.159 31.151 1.00 1.00 C ATOM 606 CG LEU A 41 33.790 4.948 32.063 1.00 1.00 C ATOM 607 CD1 LEU A 41 35.130 4.251 32.304 1.00 1.00 C ATOM 608 CD2 LEU A 41 33.209 5.413 33.401 1.00 1.00 C ATOM 0 H LEU A 41 33.273 6.847 28.868 1.00 1.00 H new ATOM 0 HA LEU A 41 31.854 6.232 31.313 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.462 5.846 30.214 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.681 6.868 31.621 1.00 1.00 H new ATOM 0 HG LEU A 41 33.099 4.251 31.588 1.00 1.00 H new ATOM 0 HD11 LEU A 41 34.980 3.389 32.954 1.00 1.00 H new ATOM 0 HD12 LEU A 41 35.545 3.920 31.352 1.00 1.00 H new ATOM 0 HD13 LEU A 41 35.822 4.947 32.779 1.00 1.00 H new ATOM 0 HD21 LEU A 41 33.059 4.551 34.052 1.00 1.00 H new ATOM 0 HD22 LEU A 41 33.900 6.110 33.875 1.00 1.00 H new ATOM 0 HD23 LEU A 41 32.254 5.909 33.230 1.00 1.00 H new ATOM 620 N GLY A 42 33.310 9.165 30.856 1.00 1.00 N ATOM 621 CA GLY A 42 33.360 10.531 31.360 1.00 1.00 C ATOM 622 C GLY A 42 31.955 11.064 31.613 1.00 1.00 C ATOM 623 O GLY A 42 31.726 11.816 32.559 1.00 1.00 O ATOM 0 H GLY A 42 33.826 9.012 29.989 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.938 10.562 32.284 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.873 11.170 30.642 1.00 1.00 H new ATOM 627 N THR A 43 31.017 10.667 30.760 1.00 1.00 N ATOM 628 CA THR A 43 29.635 11.109 30.900 1.00 1.00 C ATOM 629 C THR A 43 28.724 10.318 29.965 1.00 1.00 C ATOM 630 O THR A 43 28.840 9.098 29.861 1.00 1.00 O ATOM 631 CB THR A 43 29.527 12.600 30.577 1.00 1.00 C ATOM 632 OG1 THR A 43 28.194 13.037 30.802 1.00 1.00 O ATOM 633 CG2 THR A 43 29.904 12.834 29.113 1.00 1.00 C ATOM 0 H THR A 43 31.187 10.045 29.970 1.00 1.00 H new ATOM 0 HA THR A 43 29.321 10.937 31.930 1.00 1.00 H new ATOM 0 HB THR A 43 30.206 13.162 31.219 1.00 1.00 H new ATOM 0 HG1 THR A 43 28.124 13.993 30.597 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.827 13.897 28.883 1.00 1.00 H new ATOM 0 HG22 THR A 43 30.927 12.499 28.943 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.227 12.273 28.469 1.00 1.00 H new ATOM 641 N THR A 44 27.825 11.028 29.288 1.00 1.00 N ATOM 642 CA THR A 44 26.893 10.397 28.354 1.00 1.00 C ATOM 643 C THR A 44 26.070 9.312 29.044 1.00 1.00 C ATOM 644 O THR A 44 24.890 9.505 29.333 1.00 1.00 O ATOM 645 CB THR A 44 27.666 9.790 27.181 1.00 1.00 C ATOM 646 OG1 THR A 44 28.060 10.825 26.291 1.00 1.00 O ATOM 647 CG2 THR A 44 26.775 8.790 26.440 1.00 1.00 C ATOM 0 H THR A 44 27.721 12.040 29.368 1.00 1.00 H new ATOM 0 HA THR A 44 26.210 11.163 27.987 1.00 1.00 H new ATOM 0 HB THR A 44 28.550 9.275 27.557 1.00 1.00 H new ATOM 0 HG1 THR A 44 28.557 10.439 25.540 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.328 8.359 25.605 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.473 7.996 27.123 1.00 1.00 H new ATOM 0 HG23 THR A 44 25.889 9.301 26.063 1.00 1.00 H new ATOM 655 N GLY A 45 26.699 8.171 29.306 1.00 1.00 N ATOM 656 CA GLY A 45 26.017 7.062 29.962 1.00 1.00 C ATOM 657 C GLY A 45 25.831 7.352 31.445 1.00 1.00 C ATOM 658 O GLY A 45 25.668 6.440 32.255 1.00 1.00 O ATOM 0 H GLY A 45 27.676 7.991 29.075 1.00 1.00 H new ATOM 0 HA2 GLY A 45 25.047 6.896 29.494 1.00 1.00 H new ATOM 0 HA3 GLY A 45 26.594 6.146 29.834 1.00 1.00 H new ATOM 662 N ASN A 46 25.854 8.633 31.790 1.00 1.00 N ATOM 663 CA ASN A 46 25.685 9.051 33.170 1.00 1.00 C ATOM 664 C ASN A 46 24.755 10.259 33.236 1.00 1.00 C ATOM 665 O ASN A 46 25.035 11.313 32.663 1.00 1.00 O ATOM 666 CB ASN A 46 27.049 9.388 33.786 1.00 1.00 C ATOM 667 CG ASN A 46 27.149 10.881 34.075 1.00 1.00 C ATOM 668 OD1 ASN A 46 27.004 11.305 35.221 1.00 1.00 O ATOM 669 ND2 ASN A 46 27.380 11.711 33.094 1.00 1.00 N ATOM 0 H ASN A 46 25.988 9.399 31.130 1.00 1.00 H new ATOM 0 HA ASN A 46 25.239 8.236 33.740 1.00 1.00 H new ATOM 0 HB2 ASN A 46 27.188 8.823 34.708 1.00 1.00 H new ATOM 0 HB3 ASN A 46 27.846 9.089 33.105 1.00 1.00 H new ATOM 0 HD21 ASN A 46 27.441 12.713 33.277 1.00 1.00 H new ATOM 0 HD22 ASN A 46 27.500 11.358 32.145 1.00 1.00 H new ATOM 676 N GLY A 47 23.638 10.085 33.926 1.00 1.00 N ATOM 677 CA GLY A 47 22.654 11.154 34.063 1.00 1.00 C ATOM 678 C GLY A 47 21.252 10.649 33.740 1.00 1.00 C ATOM 679 O GLY A 47 20.432 10.446 34.636 1.00 1.00 O ATOM 0 H GLY A 47 23.388 9.217 34.400 1.00 1.00 H new ATOM 0 HA2 GLY A 47 22.678 11.547 35.079 1.00 1.00 H new ATOM 0 HA3 GLY A 47 22.911 11.977 33.396 1.00 1.00 H new ATOM 683 N LEU A 48 20.982 10.449 32.454 1.00 1.00 N ATOM 684 CA LEU A 48 19.673 9.970 32.025 1.00 1.00 C ATOM 685 C LEU A 48 19.707 8.463 31.787 1.00 1.00 C ATOM 686 O LEU A 48 18.792 7.742 32.184 1.00 1.00 O ATOM 687 CB LEU A 48 19.252 10.683 30.735 1.00 1.00 C ATOM 688 CG LEU A 48 18.247 11.796 31.051 1.00 1.00 C ATOM 689 CD1 LEU A 48 16.923 11.191 31.527 1.00 1.00 C ATOM 690 CD2 LEU A 48 18.814 12.704 32.147 1.00 1.00 C ATOM 0 H LEU A 48 21.646 10.610 31.697 1.00 1.00 H new ATOM 0 HA LEU A 48 18.951 10.187 32.812 1.00 1.00 H new ATOM 0 HB2 LEU A 48 20.128 11.103 30.240 1.00 1.00 H new ATOM 0 HB3 LEU A 48 18.808 9.967 30.043 1.00 1.00 H new ATOM 0 HG LEU A 48 18.069 12.379 30.147 1.00 1.00 H new ATOM 0 HD11 LEU A 48 16.216 11.991 31.749 1.00 1.00 H new ATOM 0 HD12 LEU A 48 16.513 10.551 30.745 1.00 1.00 H new ATOM 0 HD13 LEU A 48 17.096 10.600 32.426 1.00 1.00 H new ATOM 0 HD21 LEU A 48 18.098 13.495 32.371 1.00 1.00 H new ATOM 0 HD22 LEU A 48 18.999 12.117 33.047 1.00 1.00 H new ATOM 0 HD23 LEU A 48 19.749 13.147 31.805 1.00 1.00 H new ATOM 702 N VAL A 49 20.768 7.995 31.136 1.00 1.00 N ATOM 703 CA VAL A 49 20.909 6.571 30.851 1.00 1.00 C ATOM 704 C VAL A 49 20.718 5.750 32.123 1.00 1.00 C ATOM 705 O VAL A 49 20.617 4.524 32.071 1.00 1.00 O ATOM 706 CB VAL A 49 22.292 6.292 30.262 1.00 1.00 C ATOM 707 CG1 VAL A 49 22.406 4.809 29.903 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.489 7.137 29.001 1.00 1.00 C ATOM 0 H VAL A 49 21.536 8.575 30.799 1.00 1.00 H new ATOM 0 HA VAL A 49 20.144 6.285 30.130 1.00 1.00 H new ATOM 0 HB VAL A 49 23.056 6.548 30.996 1.00 1.00 H new ATOM 0 HG11 VAL A 49 23.392 4.611 29.483 1.00 1.00 H new ATOM 0 HG12 VAL A 49 22.266 4.206 30.800 1.00 1.00 H new ATOM 0 HG13 VAL A 49 21.641 4.552 29.170 1.00 1.00 H new ATOM 0 HG21 VAL A 49 23.475 6.939 28.580 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.724 6.881 28.268 1.00 1.00 H new ATOM 0 HG23 VAL A 49 22.409 8.194 29.255 1.00 1.00 H new ATOM 718 N LEU A 50 20.670 6.433 33.261 1.00 1.00 N ATOM 719 CA LEU A 50 20.490 5.757 34.541 1.00 1.00 C ATOM 720 C LEU A 50 19.024 5.783 34.958 1.00 1.00 C ATOM 721 O LEU A 50 18.493 4.790 35.455 1.00 1.00 O ATOM 722 CB LEU A 50 21.339 6.439 35.615 1.00 1.00 C ATOM 723 CG LEU A 50 22.753 6.664 35.081 1.00 1.00 C ATOM 724 CD1 LEU A 50 23.611 7.318 36.166 1.00 1.00 C ATOM 725 CD2 LEU A 50 23.368 5.318 34.690 1.00 1.00 C ATOM 0 H LEU A 50 20.753 7.448 33.324 1.00 1.00 H new ATOM 0 HA LEU A 50 20.807 4.720 34.431 1.00 1.00 H new ATOM 0 HB2 LEU A 50 20.890 7.391 35.898 1.00 1.00 H new ATOM 0 HB3 LEU A 50 21.372 5.822 36.513 1.00 1.00 H new ATOM 0 HG LEU A 50 22.713 7.315 34.208 1.00 1.00 H new ATOM 0 HD11 LEU A 50 24.620 7.478 35.785 1.00 1.00 H new ATOM 0 HD12 LEU A 50 23.173 8.275 36.448 1.00 1.00 H new ATOM 0 HD13 LEU A 50 23.652 6.667 37.039 1.00 1.00 H new ATOM 0 HD21 LEU A 50 24.377 5.476 34.309 1.00 1.00 H new ATOM 0 HD22 LEU A 50 23.408 4.669 35.564 1.00 1.00 H new ATOM 0 HD23 LEU A 50 22.758 4.850 33.918 1.00 1.00 H new ATOM 737 N TRP A 51 18.376 6.925 34.754 1.00 1.00 N ATOM 738 CA TRP A 51 16.971 7.069 35.114 1.00 1.00 C ATOM 739 C TRP A 51 16.118 6.046 34.371 1.00 1.00 C ATOM 740 O TRP A 51 14.942 5.863 34.680 1.00 1.00 O ATOM 741 CB TRP A 51 16.490 8.482 34.774 1.00 1.00 C ATOM 742 CG TRP A 51 15.326 8.405 33.838 1.00 1.00 C ATOM 743 CD1 TRP A 51 15.409 8.119 32.518 1.00 1.00 C ATOM 744 CD2 TRP A 51 13.912 8.607 34.126 1.00 1.00 C ATOM 745 NE1 TRP A 51 14.136 8.135 31.977 1.00 1.00 N ATOM 746 CE2 TRP A 51 13.179 8.431 32.929 1.00 1.00 C ATOM 747 CE3 TRP A 51 13.202 8.925 35.297 1.00 1.00 C ATOM 748 CZ2 TRP A 51 11.791 8.564 32.895 1.00 1.00 C ATOM 749 CZ3 TRP A 51 11.804 9.061 35.266 1.00 1.00 C ATOM 750 CH2 TRP A 51 11.101 8.880 34.067 1.00 1.00 C ATOM 0 H TRP A 51 18.798 7.758 34.344 1.00 1.00 H new ATOM 0 HA TRP A 51 16.870 6.897 36.186 1.00 1.00 H new ATOM 0 HB2 TRP A 51 16.203 9.008 35.684 1.00 1.00 H new ATOM 0 HB3 TRP A 51 17.299 9.052 34.318 1.00 1.00 H new ATOM 0 HD1 TRP A 51 16.320 7.912 31.976 1.00 1.00 H new ATOM 0 HE1 TRP A 51 13.929 7.951 30.995 1.00 1.00 H new ATOM 0 HE3 TRP A 51 13.734 9.066 36.226 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 11.254 8.424 31.969 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 11.268 9.306 36.171 1.00 1.00 H new ATOM 0 HH2 TRP A 51 10.026 8.985 34.050 1.00 1.00 H new ATOM 761 N THR A 52 16.719 5.384 33.387 1.00 1.00 N ATOM 762 CA THR A 52 16.004 4.384 32.605 1.00 1.00 C ATOM 763 C THR A 52 16.366 2.977 33.069 1.00 1.00 C ATOM 764 O THR A 52 15.646 2.017 32.795 1.00 1.00 O ATOM 765 CB THR A 52 16.347 4.537 31.120 1.00 1.00 C ATOM 766 OG1 THR A 52 15.348 3.898 30.337 1.00 1.00 O ATOM 767 CG2 THR A 52 17.707 3.894 30.840 1.00 1.00 C ATOM 0 H THR A 52 17.692 5.521 33.114 1.00 1.00 H new ATOM 0 HA THR A 52 14.935 4.537 32.749 1.00 1.00 H new ATOM 0 HB THR A 52 16.389 5.595 30.863 1.00 1.00 H new ATOM 0 HG1 THR A 52 15.565 3.996 29.386 1.00 1.00 H new ATOM 0 HG21 THR A 52 17.950 4.003 29.783 1.00 1.00 H new ATOM 0 HG22 THR A 52 18.472 4.385 31.441 1.00 1.00 H new ATOM 0 HG23 THR A 52 17.668 2.835 31.096 1.00 1.00 H new ATOM 775 N VAL A 53 17.486 2.863 33.776 1.00 1.00 N ATOM 776 CA VAL A 53 17.934 1.567 34.274 1.00 1.00 C ATOM 777 C VAL A 53 17.052 1.105 35.431 1.00 1.00 C ATOM 778 O VAL A 53 17.031 -0.078 35.771 1.00 1.00 O ATOM 779 CB VAL A 53 19.386 1.662 34.743 1.00 1.00 C ATOM 780 CG1 VAL A 53 19.749 0.409 35.541 1.00 1.00 C ATOM 781 CG2 VAL A 53 20.307 1.775 33.526 1.00 1.00 C ATOM 0 H VAL A 53 18.096 3.645 34.015 1.00 1.00 H new ATOM 0 HA VAL A 53 17.861 0.841 33.464 1.00 1.00 H new ATOM 0 HB VAL A 53 19.506 2.542 35.375 1.00 1.00 H new ATOM 0 HG11 VAL A 53 20.784 0.478 35.875 1.00 1.00 H new ATOM 0 HG12 VAL A 53 19.093 0.327 36.408 1.00 1.00 H new ATOM 0 HG13 VAL A 53 19.629 -0.472 34.910 1.00 1.00 H new ATOM 0 HG21 VAL A 53 21.343 1.843 33.859 1.00 1.00 H new ATOM 0 HG22 VAL A 53 20.186 0.895 32.895 1.00 1.00 H new ATOM 0 HG23 VAL A 53 20.050 2.668 32.957 1.00 1.00 H new ATOM 791 N PHE A 54 16.328 2.045 36.030 1.00 1.00 N ATOM 792 CA PHE A 54 15.448 1.722 37.147 1.00 1.00 C ATOM 793 C PHE A 54 13.994 1.670 36.687 1.00 1.00 C ATOM 794 O PHE A 54 13.090 1.416 37.483 1.00 1.00 O ATOM 795 CB PHE A 54 15.609 2.767 38.255 1.00 1.00 C ATOM 796 CG PHE A 54 14.510 3.797 38.152 1.00 1.00 C ATOM 797 CD1 PHE A 54 14.687 4.925 37.342 1.00 1.00 C ATOM 798 CD2 PHE A 54 13.319 3.628 38.868 1.00 1.00 C ATOM 799 CE1 PHE A 54 13.672 5.885 37.248 1.00 1.00 C ATOM 800 CE2 PHE A 54 12.305 4.590 38.774 1.00 1.00 C ATOM 801 CZ PHE A 54 12.481 5.718 37.965 1.00 1.00 C ATOM 0 H PHE A 54 16.333 3.029 35.763 1.00 1.00 H new ATOM 0 HA PHE A 54 15.723 0.741 37.535 1.00 1.00 H new ATOM 0 HB2 PHE A 54 15.576 2.283 39.231 1.00 1.00 H new ATOM 0 HB3 PHE A 54 16.582 3.251 38.172 1.00 1.00 H new ATOM 0 HD1 PHE A 54 15.606 5.055 36.790 1.00 1.00 H new ATOM 0 HD2 PHE A 54 13.182 2.757 39.492 1.00 1.00 H new ATOM 0 HE1 PHE A 54 13.808 6.755 36.622 1.00 1.00 H new ATOM 0 HE2 PHE A 54 11.386 4.461 39.327 1.00 1.00 H new ATOM 0 HZ PHE A 54 11.699 6.459 37.894 1.00 1.00 H new ATOM 811 N ARG A 55 13.780 1.909 35.396 1.00 1.00 N ATOM 812 CA ARG A 55 12.433 1.882 34.833 1.00 1.00 C ATOM 813 C ARG A 55 12.231 0.625 33.992 1.00 1.00 C ATOM 814 O ARG A 55 11.244 -0.091 34.158 1.00 1.00 O ATOM 815 CB ARG A 55 12.206 3.121 33.962 1.00 1.00 C ATOM 816 CG ARG A 55 12.066 4.358 34.852 1.00 1.00 C ATOM 817 CD ARG A 55 10.611 4.829 34.847 1.00 1.00 C ATOM 818 NE ARG A 55 9.712 3.699 35.051 1.00 1.00 N ATOM 819 CZ ARG A 55 9.429 3.257 36.273 1.00 1.00 C ATOM 820 NH1 ARG A 55 9.960 3.836 37.315 1.00 1.00 N ATOM 821 NH2 ARG A 55 8.621 2.245 36.429 1.00 1.00 N ATOM 0 H ARG A 55 14.517 2.122 34.724 1.00 1.00 H new ATOM 0 HA ARG A 55 11.716 1.878 35.654 1.00 1.00 H new ATOM 0 HB2 ARG A 55 13.040 3.250 33.272 1.00 1.00 H new ATOM 0 HB3 ARG A 55 11.308 2.993 33.357 1.00 1.00 H new ATOM 0 HG2 ARG A 55 12.380 4.124 35.869 1.00 1.00 H new ATOM 0 HG3 ARG A 55 12.718 5.154 34.492 1.00 1.00 H new ATOM 0 HD2 ARG A 55 10.459 5.570 35.632 1.00 1.00 H new ATOM 0 HD3 ARG A 55 10.383 5.317 33.900 1.00 1.00 H new ATOM 0 HE ARG A 55 9.293 3.240 34.242 1.00 1.00 H new ATOM 0 HH11 ARG A 55 10.592 4.627 37.192 1.00 1.00 H new ATOM 0 HH12 ARG A 55 9.743 3.497 38.252 1.00 1.00 H new ATOM 0 HH21 ARG A 55 8.207 1.793 35.614 1.00 1.00 H new ATOM 0 HH22 ARG A 55 8.404 1.906 37.366 1.00 1.00 H new ATOM 835 N LYS A 56 13.173 0.364 33.092 1.00 1.00 N ATOM 836 CA LYS A 56 13.087 -0.810 32.231 1.00 1.00 C ATOM 837 C LYS A 56 12.813 -2.060 33.059 1.00 1.00 C ATOM 838 O LYS A 56 11.789 -2.720 32.885 1.00 1.00 O ATOM 839 CB LYS A 56 14.394 -0.985 31.455 1.00 1.00 C ATOM 840 CG LYS A 56 14.688 0.285 30.655 1.00 1.00 C ATOM 841 CD LYS A 56 14.581 -0.016 29.159 1.00 1.00 C ATOM 842 CE LYS A 56 15.720 -0.949 28.742 1.00 1.00 C ATOM 843 NZ LYS A 56 15.157 -2.143 28.050 1.00 1.00 N ATOM 0 H LYS A 56 13.998 0.944 32.940 1.00 1.00 H new ATOM 0 HA LYS A 56 12.266 -0.665 31.529 1.00 1.00 H new ATOM 0 HB2 LYS A 56 15.213 -1.191 32.144 1.00 1.00 H new ATOM 0 HB3 LYS A 56 14.319 -1.841 30.784 1.00 1.00 H new ATOM 0 HG2 LYS A 56 13.985 1.071 30.929 1.00 1.00 H new ATOM 0 HG3 LYS A 56 15.686 0.653 30.892 1.00 1.00 H new ATOM 0 HD2 LYS A 56 13.619 -0.478 28.938 1.00 1.00 H new ATOM 0 HD3 LYS A 56 14.628 0.911 28.587 1.00 1.00 H new ATOM 0 HE2 LYS A 56 16.410 -0.425 28.081 1.00 1.00 H new ATOM 0 HE3 LYS A 56 16.290 -1.258 29.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 15.931 -2.777 27.767 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 14.515 -2.647 28.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 14.632 -1.839 27.205 1.00 1.00 H new ATOM 857 N LYS A 57 13.736 -2.380 33.961 1.00 1.00 N ATOM 858 CA LYS A 57 13.583 -3.554 34.813 1.00 1.00 C ATOM 859 C LYS A 57 12.534 -3.300 35.890 1.00 1.00 C ATOM 860 O LYS A 57 12.712 -3.684 37.045 1.00 1.00 O ATOM 861 CB LYS A 57 14.920 -3.901 35.469 1.00 1.00 C ATOM 862 CG LYS A 57 15.979 -4.124 34.387 1.00 1.00 C ATOM 863 CD LYS A 57 17.202 -3.254 34.682 1.00 1.00 C ATOM 864 CE LYS A 57 17.782 -3.630 36.047 1.00 1.00 C ATOM 865 NZ LYS A 57 17.437 -2.574 37.040 1.00 1.00 N ATOM 0 H LYS A 57 14.591 -1.847 34.120 1.00 1.00 H new ATOM 0 HA LYS A 57 13.256 -4.390 34.194 1.00 1.00 H new ATOM 0 HB2 LYS A 57 15.230 -3.096 36.135 1.00 1.00 H new ATOM 0 HB3 LYS A 57 14.815 -4.798 36.080 1.00 1.00 H new ATOM 0 HG2 LYS A 57 16.266 -5.175 34.356 1.00 1.00 H new ATOM 0 HG3 LYS A 57 15.571 -3.876 33.407 1.00 1.00 H new ATOM 0 HD2 LYS A 57 17.954 -3.391 33.905 1.00 1.00 H new ATOM 0 HD3 LYS A 57 16.922 -2.201 34.672 1.00 1.00 H new ATOM 0 HE2 LYS A 57 17.385 -4.592 36.370 1.00 1.00 H new ATOM 0 HE3 LYS A 57 18.864 -3.739 35.977 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 18.240 -2.428 37.685 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 17.227 -1.685 36.543 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 16.603 -2.870 37.586 1.00 1.00 H new ATOM 879 N GLY A 58 11.443 -2.648 35.503 1.00 1.00 N ATOM 880 CA GLY A 58 10.371 -2.346 36.444 1.00 1.00 C ATOM 881 C GLY A 58 9.346 -3.473 36.484 1.00 1.00 C ATOM 882 O GLY A 58 8.338 -3.433 35.779 1.00 1.00 O ATOM 0 H GLY A 58 11.278 -2.321 34.551 1.00 1.00 H new ATOM 0 HA2 GLY A 58 10.788 -2.194 37.439 1.00 1.00 H new ATOM 0 HA3 GLY A 58 9.882 -1.415 36.157 1.00 1.00 H new ATOM 886 N HIS A 59 9.610 -4.477 37.313 1.00 1.00 N ATOM 887 CA HIS A 59 8.702 -5.612 37.436 1.00 1.00 C ATOM 888 C HIS A 59 7.275 -5.131 37.679 1.00 1.00 C ATOM 889 O HIS A 59 6.311 -5.803 37.310 1.00 1.00 O ATOM 890 CB HIS A 59 9.142 -6.512 38.592 1.00 1.00 C ATOM 891 CG HIS A 59 10.469 -7.140 38.260 1.00 1.00 C ATOM 892 ND1 HIS A 59 11.528 -7.144 39.154 1.00 1.00 N ATOM 893 CD2 HIS A 59 10.922 -7.789 37.139 1.00 1.00 C ATOM 894 CE1 HIS A 59 12.557 -7.777 38.560 1.00 1.00 C ATOM 895 NE2 HIS A 59 12.240 -8.191 37.330 1.00 1.00 N ATOM 0 H HIS A 59 10.439 -4.529 37.906 1.00 1.00 H new ATOM 0 HA HIS A 59 8.730 -6.178 36.505 1.00 1.00 H new ATOM 0 HB2 HIS A 59 9.222 -5.930 39.510 1.00 1.00 H new ATOM 0 HB3 HIS A 59 8.395 -7.286 38.769 1.00 1.00 H new ATOM 0 HD2 HIS A 59 10.343 -7.962 36.244 1.00 1.00 H new ATOM 0 HE1 HIS A 59 13.521 -7.931 39.022 1.00 1.00 H new ATOM 0 HE2 HIS A 59 12.836 -8.694 36.672 1.00 1.00 H new ATOM 903 N HIS A 60 7.146 -3.965 38.302 1.00 1.00 N ATOM 904 CA HIS A 60 5.831 -3.403 38.589 1.00 1.00 C ATOM 905 C HIS A 60 4.909 -3.556 37.384 1.00 1.00 C ATOM 906 O HIS A 60 4.077 -4.462 37.338 1.00 1.00 O ATOM 907 CB HIS A 60 5.963 -1.922 38.948 1.00 1.00 C ATOM 908 CG HIS A 60 6.433 -1.790 40.371 1.00 1.00 C ATOM 909 ND1 HIS A 60 7.586 -2.407 40.830 1.00 1.00 N ATOM 910 CD2 HIS A 60 5.915 -1.115 41.449 1.00 1.00 C ATOM 911 CE1 HIS A 60 7.723 -2.095 42.131 1.00 1.00 C ATOM 912 NE2 HIS A 60 6.732 -1.309 42.559 1.00 1.00 N ATOM 0 H HIS A 60 7.930 -3.393 38.616 1.00 1.00 H new ATOM 0 HA HIS A 60 5.401 -3.944 39.432 1.00 1.00 H new ATOM 0 HB2 HIS A 60 6.668 -1.435 38.274 1.00 1.00 H new ATOM 0 HB3 HIS A 60 5.004 -1.420 38.823 1.00 1.00 H new ATOM 0 HD2 HIS A 60 5.011 -0.524 41.437 1.00 1.00 H new ATOM 0 HE1 HIS A 60 8.536 -2.438 42.754 1.00 1.00 H new ATOM 0 HE2 HIS A 60 6.602 -0.932 43.498 1.00 1.00 H new ATOM 920 N HIS A 61 5.063 -2.664 36.411 1.00 1.00 N ATOM 921 CA HIS A 61 4.238 -2.709 35.209 1.00 1.00 C ATOM 922 C HIS A 61 4.410 -4.044 34.491 1.00 1.00 C ATOM 923 O HIS A 61 3.889 -5.069 34.931 1.00 1.00 O ATOM 924 CB HIS A 61 4.623 -1.568 34.268 1.00 1.00 C ATOM 925 CG HIS A 61 4.073 -0.273 34.798 1.00 1.00 C ATOM 926 ND1 HIS A 61 4.021 0.879 34.028 1.00 1.00 N ATOM 927 CD2 HIS A 61 3.546 0.070 36.019 1.00 1.00 C ATOM 928 CE1 HIS A 61 3.482 1.851 34.786 1.00 1.00 C ATOM 929 NE2 HIS A 61 3.174 1.410 36.009 1.00 1.00 N ATOM 0 H HIS A 61 5.746 -1.907 36.430 1.00 1.00 H new ATOM 0 HA HIS A 61 3.194 -2.599 35.503 1.00 1.00 H new ATOM 0 HB2 HIS A 61 5.708 -1.506 34.180 1.00 1.00 H new ATOM 0 HB3 HIS A 61 4.232 -1.759 33.269 1.00 1.00 H new ATOM 0 HD2 HIS A 61 3.437 -0.599 36.859 1.00 1.00 H new ATOM 0 HE1 HIS A 61 3.318 2.863 34.447 1.00 1.00 H new ATOM 0 HE2 HIS A 61 2.756 1.942 36.772 1.00 1.00 H new ATOM 937 N HIS A 62 5.144 -4.024 33.383 1.00 1.00 N ATOM 938 CA HIS A 62 5.378 -5.239 32.611 1.00 1.00 C ATOM 939 C HIS A 62 4.098 -6.060 32.504 1.00 1.00 C ATOM 940 O HIS A 62 3.822 -6.911 33.350 1.00 1.00 O ATOM 941 CB HIS A 62 6.470 -6.078 33.277 1.00 1.00 C ATOM 942 CG HIS A 62 6.975 -7.107 32.303 1.00 1.00 C ATOM 943 ND1 HIS A 62 7.092 -8.447 32.638 1.00 1.00 N ATOM 944 CD2 HIS A 62 7.397 -7.008 31.000 1.00 1.00 C ATOM 945 CE1 HIS A 62 7.567 -9.095 31.558 1.00 1.00 C ATOM 946 NE2 HIS A 62 7.770 -8.264 30.532 1.00 1.00 N ATOM 0 H HIS A 62 5.584 -3.186 33.002 1.00 1.00 H new ATOM 0 HA HIS A 62 5.699 -4.955 31.609 1.00 1.00 H new ATOM 0 HB2 HIS A 62 7.289 -5.436 33.602 1.00 1.00 H new ATOM 0 HB3 HIS A 62 6.075 -6.567 34.168 1.00 1.00 H new ATOM 0 HD2 HIS A 62 7.434 -6.094 30.426 1.00 1.00 H new ATOM 0 HE1 HIS A 62 7.760 -10.157 31.525 1.00 1.00 H new ATOM 0 HE2 HIS A 62 8.123 -8.500 29.604 1.00 1.00 H new ATOM 954 N HIS A 63 3.320 -5.800 31.459 1.00 1.00 N ATOM 955 CA HIS A 63 2.069 -6.522 31.251 1.00 1.00 C ATOM 956 C HIS A 63 2.279 -8.022 31.440 1.00 1.00 C ATOM 957 O HIS A 63 3.250 -8.591 30.941 1.00 1.00 O ATOM 958 CB HIS A 63 1.539 -6.254 29.841 1.00 1.00 C ATOM 959 CG HIS A 63 2.656 -6.416 28.846 1.00 1.00 C ATOM 960 ND1 HIS A 63 3.140 -7.660 28.475 1.00 1.00 N ATOM 961 CD2 HIS A 63 3.393 -5.501 28.137 1.00 1.00 C ATOM 962 CE1 HIS A 63 4.124 -7.462 27.579 1.00 1.00 C ATOM 963 NE2 HIS A 63 4.320 -6.162 27.338 1.00 1.00 N ATOM 0 H HIS A 63 3.531 -5.100 30.747 1.00 1.00 H new ATOM 0 HA HIS A 63 1.343 -6.172 31.985 1.00 1.00 H new ATOM 0 HB2 HIS A 63 0.728 -6.944 29.609 1.00 1.00 H new ATOM 0 HB3 HIS A 63 1.128 -5.246 29.781 1.00 1.00 H new ATOM 0 HD1 HIS A 63 2.810 -8.562 28.819 1.00 1.00 H new ATOM 0 HD2 HIS A 63 3.272 -4.429 28.191 1.00 1.00 H new ATOM 0 HE1 HIS A 63 4.687 -8.256 27.112 1.00 1.00 H new ATOM 971 N HIS A 64 1.362 -8.655 32.165 1.00 1.00 N ATOM 972 CA HIS A 64 1.456 -10.088 32.414 1.00 1.00 C ATOM 973 C HIS A 64 2.829 -10.446 32.975 1.00 1.00 C ATOM 974 O HIS A 64 3.591 -9.533 33.249 1.00 1.00 O ATOM 975 CB HIS A 64 1.215 -10.861 31.117 1.00 1.00 C ATOM 976 CG HIS A 64 -0.208 -11.344 31.076 1.00 1.00 C ATOM 977 ND1 HIS A 64 -0.748 -12.135 32.078 1.00 1.00 N ATOM 978 CD2 HIS A 64 -1.215 -11.158 30.162 1.00 1.00 C ATOM 979 CE1 HIS A 64 -2.028 -12.392 31.748 1.00 1.00 C ATOM 980 NE2 HIS A 64 -2.363 -11.820 30.587 1.00 1.00 N ATOM 981 OXT HIS A 64 3.099 -11.627 33.120 1.00 1.00 O ATOM 0 H HIS A 64 0.552 -8.202 32.587 1.00 1.00 H new ATOM 0 HA HIS A 64 0.695 -10.361 33.145 1.00 1.00 H new ATOM 0 HB2 HIS A 64 1.418 -10.222 30.258 1.00 1.00 H new ATOM 0 HB3 HIS A 64 1.899 -11.707 31.053 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -1.129 -10.585 29.251 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -2.701 -12.987 32.347 1.00 1.00 H new ATOM 0 HE2 HIS A 64 -3.266 -11.860 30.114 1.00 1.00 H new TER 989 HIS A 64