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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 1.17 (180deg=0.973) USER MOD Single : A 9 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.1) 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= -3.56! K(o=-3.6!,f=-1.9) USER MOD Single : A 16 GLN : amide:sc= -5.78! C(o=-5.8!,f=-1.8!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 110:sc= 0.471 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.0637 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= -0.114 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -141:sc= -0.225 (180deg=-1.54!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.296! USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.38 USER MOD Single : A 46 ASN : amide:sc= -2.28 K(o=-2.3,f=-1.6) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 153:sc= -0.231 (180deg=-1.19) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-2.8!) USER MOD Single : A 61 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-0.13) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.051) USER MOD Single : A 64 HIS : no HD1:sc= -0.849 X(o=-0.85,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.104 2.342 -14.329 1.00 1.00 N ATOM 2 CA MET A 1 12.976 2.319 -15.303 1.00 1.00 C ATOM 3 C MET A 1 13.074 3.534 -16.220 1.00 1.00 C ATOM 4 O MET A 1 13.734 3.488 -17.258 1.00 1.00 O ATOM 5 CB MET A 1 11.648 2.346 -14.542 1.00 1.00 C ATOM 6 CG MET A 1 11.178 0.913 -14.285 1.00 1.00 C ATOM 7 SD MET A 1 12.526 -0.040 -13.543 1.00 1.00 S ATOM 8 CE MET A 1 11.830 -1.684 -13.836 1.00 1.00 C ATOM 0 H1 MET A 1 14.011 1.542 -13.671 1.00 1.00 H new ATOM 0 H2 MET A 1 15.006 2.265 -14.841 1.00 1.00 H new ATOM 0 H3 MET A 1 14.083 3.234 -13.795 1.00 1.00 H new ATOM 0 HA MET A 1 13.027 1.411 -15.904 1.00 1.00 H new ATOM 0 HB2 MET A 1 11.769 2.875 -13.597 1.00 1.00 H new ATOM 0 HB3 MET A 1 10.898 2.888 -15.117 1.00 1.00 H new ATOM 0 HG2 MET A 1 10.313 0.916 -13.622 1.00 1.00 H new ATOM 0 HG3 MET A 1 10.862 0.449 -15.220 1.00 1.00 H new ATOM 0 HE1 MET A 1 12.511 -2.442 -13.449 1.00 1.00 H new ATOM 0 HE2 MET A 1 10.869 -1.768 -13.329 1.00 1.00 H new ATOM 0 HE3 MET A 1 11.690 -1.834 -14.906 1.00 1.00 H new ATOM 20 N GLU A 2 12.415 4.620 -15.828 1.00 1.00 N ATOM 21 CA GLU A 2 12.436 5.842 -16.623 1.00 1.00 C ATOM 22 C GLU A 2 11.637 6.944 -15.933 1.00 1.00 C ATOM 23 O GLU A 2 10.413 6.866 -15.832 1.00 1.00 O ATOM 24 CB GLU A 2 11.847 5.574 -18.009 1.00 1.00 C ATOM 25 CG GLU A 2 10.658 4.618 -17.883 1.00 1.00 C ATOM 26 CD GLU A 2 9.642 4.904 -18.984 1.00 1.00 C ATOM 27 OE1 GLU A 2 8.840 5.805 -18.804 1.00 1.00 O ATOM 28 OE2 GLU A 2 9.680 4.216 -19.991 1.00 1.00 O ATOM 0 H GLU A 2 11.864 4.679 -14.972 1.00 1.00 H new ATOM 0 HA GLU A 2 13.471 6.169 -16.725 1.00 1.00 H new ATOM 0 HB2 GLU A 2 11.528 6.510 -18.467 1.00 1.00 H new ATOM 0 HB3 GLU A 2 12.606 5.143 -18.661 1.00 1.00 H new ATOM 0 HG2 GLU A 2 11.001 3.586 -17.952 1.00 1.00 H new ATOM 0 HG3 GLU A 2 10.190 4.733 -16.905 1.00 1.00 H new ATOM 35 N GLU A 3 12.339 7.968 -15.461 1.00 1.00 N ATOM 36 CA GLU A 3 11.684 9.081 -14.781 1.00 1.00 C ATOM 37 C GLU A 3 10.924 8.587 -13.555 1.00 1.00 C ATOM 38 O GLU A 3 9.785 8.132 -13.660 1.00 1.00 O ATOM 39 CB GLU A 3 10.716 9.779 -15.738 1.00 1.00 C ATOM 40 CG GLU A 3 11.398 9.995 -17.089 1.00 1.00 C ATOM 41 CD GLU A 3 10.642 11.047 -17.894 1.00 1.00 C ATOM 42 OE1 GLU A 3 10.666 12.200 -17.496 1.00 1.00 O ATOM 43 OE2 GLU A 3 10.049 10.683 -18.896 1.00 1.00 O ATOM 0 H GLU A 3 13.353 8.052 -15.535 1.00 1.00 H new ATOM 0 HA GLU A 3 12.449 9.787 -14.459 1.00 1.00 H new ATOM 0 HB2 GLU A 3 9.817 9.176 -15.865 1.00 1.00 H new ATOM 0 HB3 GLU A 3 10.402 10.736 -15.320 1.00 1.00 H new ATOM 0 HG2 GLU A 3 12.430 10.313 -16.938 1.00 1.00 H new ATOM 0 HG3 GLU A 3 11.432 9.057 -17.643 1.00 1.00 H new ATOM 50 N GLY A 4 11.562 8.680 -12.392 1.00 1.00 N ATOM 51 CA GLY A 4 10.936 8.241 -11.151 1.00 1.00 C ATOM 52 C GLY A 4 11.964 7.617 -10.214 1.00 1.00 C ATOM 53 O GLY A 4 11.887 7.780 -8.996 1.00 1.00 O ATOM 0 H GLY A 4 12.505 9.053 -12.284 1.00 1.00 H new ATOM 0 HA2 GLY A 4 10.458 9.089 -10.660 1.00 1.00 H new ATOM 0 HA3 GLY A 4 10.152 7.517 -11.371 1.00 1.00 H new ATOM 57 N GLY A 5 12.924 6.902 -10.790 1.00 1.00 N ATOM 58 CA GLY A 5 13.963 6.258 -9.995 1.00 1.00 C ATOM 59 C GLY A 5 14.556 7.231 -8.981 1.00 1.00 C ATOM 60 O GLY A 5 14.589 8.439 -9.211 1.00 1.00 O ATOM 0 H GLY A 5 13.005 6.754 -11.796 1.00 1.00 H new ATOM 0 HA2 GLY A 5 13.546 5.395 -9.476 1.00 1.00 H new ATOM 0 HA3 GLY A 5 14.750 5.886 -10.651 1.00 1.00 H new ATOM 64 N ASP A 6 15.024 6.695 -7.858 1.00 1.00 N ATOM 65 CA ASP A 6 15.614 7.527 -6.816 1.00 1.00 C ATOM 66 C ASP A 6 16.644 6.734 -6.017 1.00 1.00 C ATOM 67 O ASP A 6 16.774 5.522 -6.183 1.00 1.00 O ATOM 68 CB ASP A 6 14.522 8.039 -5.875 1.00 1.00 C ATOM 69 CG ASP A 6 14.750 7.498 -4.468 1.00 1.00 C ATOM 70 OD1 ASP A 6 14.597 6.303 -4.282 1.00 1.00 O ATOM 71 OD2 ASP A 6 15.076 8.288 -3.596 1.00 1.00 O ATOM 0 H ASP A 6 15.007 5.697 -7.647 1.00 1.00 H new ATOM 0 HA ASP A 6 16.111 8.373 -7.291 1.00 1.00 H new ATOM 0 HB2 ASP A 6 14.526 9.129 -5.859 1.00 1.00 H new ATOM 0 HB3 ASP A 6 13.542 7.729 -6.238 1.00 1.00 H new ATOM 76 N PHE A 7 17.376 7.428 -5.151 1.00 1.00 N ATOM 77 CA PHE A 7 18.393 6.778 -4.332 1.00 1.00 C ATOM 78 C PHE A 7 19.193 5.781 -5.162 1.00 1.00 C ATOM 79 O PHE A 7 18.841 4.604 -5.246 1.00 1.00 O ATOM 80 CB PHE A 7 17.732 6.054 -3.157 1.00 1.00 C ATOM 81 CG PHE A 7 18.793 5.597 -2.186 1.00 1.00 C ATOM 82 CD1 PHE A 7 19.263 6.474 -1.200 1.00 1.00 C ATOM 83 CD2 PHE A 7 19.309 4.298 -2.269 1.00 1.00 C ATOM 84 CE1 PHE A 7 20.247 6.052 -0.299 1.00 1.00 C ATOM 85 CE2 PHE A 7 20.293 3.876 -1.368 1.00 1.00 C ATOM 86 CZ PHE A 7 20.762 4.752 -0.382 1.00 1.00 C ATOM 0 H PHE A 7 17.285 8.432 -4.999 1.00 1.00 H new ATOM 0 HA PHE A 7 19.071 7.543 -3.953 1.00 1.00 H new ATOM 0 HB2 PHE A 7 17.028 6.718 -2.656 1.00 1.00 H new ATOM 0 HB3 PHE A 7 17.161 5.198 -3.518 1.00 1.00 H new ATOM 0 HD1 PHE A 7 18.866 7.476 -1.135 1.00 1.00 H new ATOM 0 HD2 PHE A 7 18.947 3.621 -3.029 1.00 1.00 H new ATOM 0 HE1 PHE A 7 20.609 6.729 0.461 1.00 1.00 H new ATOM 0 HE2 PHE A 7 20.691 2.874 -1.433 1.00 1.00 H new ATOM 0 HZ PHE A 7 21.520 4.426 0.314 1.00 1.00 H new ATOM 96 N ASP A 8 20.271 6.259 -5.776 1.00 1.00 N ATOM 97 CA ASP A 8 21.114 5.400 -6.598 1.00 1.00 C ATOM 98 C ASP A 8 22.588 5.719 -6.369 1.00 1.00 C ATOM 99 O ASP A 8 23.356 5.867 -7.320 1.00 1.00 O ATOM 100 CB ASP A 8 20.772 5.591 -8.076 1.00 1.00 C ATOM 101 CG ASP A 8 21.366 4.454 -8.900 1.00 1.00 C ATOM 102 OD1 ASP A 8 21.098 3.309 -8.574 1.00 1.00 O ATOM 103 OD2 ASP A 8 22.080 4.745 -9.846 1.00 1.00 O ATOM 0 H ASP A 8 20.579 7.230 -5.720 1.00 1.00 H new ATOM 0 HA ASP A 8 20.930 4.364 -6.315 1.00 1.00 H new ATOM 0 HB2 ASP A 8 19.690 5.619 -8.207 1.00 1.00 H new ATOM 0 HB3 ASP A 8 21.161 6.547 -8.427 1.00 1.00 H new ATOM 108 N ASN A 9 22.977 5.825 -5.103 1.00 1.00 N ATOM 109 CA ASN A 9 24.361 6.127 -4.761 1.00 1.00 C ATOM 110 C ASN A 9 24.861 7.320 -5.567 1.00 1.00 C ATOM 111 O ASN A 9 26.005 7.341 -6.021 1.00 1.00 O ATOM 112 CB ASN A 9 25.244 4.911 -5.041 1.00 1.00 C ATOM 113 CG ASN A 9 26.419 4.884 -4.070 1.00 1.00 C ATOM 114 OD1 ASN A 9 26.241 5.101 -2.872 1.00 1.00 O ATOM 115 ND2 ASN A 9 27.618 4.628 -4.518 1.00 1.00 N ATOM 0 H ASN A 9 22.357 5.707 -4.301 1.00 1.00 H new ATOM 0 HA ASN A 9 24.410 6.373 -3.700 1.00 1.00 H new ATOM 0 HB2 ASN A 9 24.659 3.996 -4.942 1.00 1.00 H new ATOM 0 HB3 ASN A 9 25.610 4.946 -6.067 1.00 1.00 H new ATOM 0 HD21 ASN A 9 28.409 4.608 -3.875 1.00 1.00 H new ATOM 0 HD22 ASN A 9 27.764 4.448 -5.511 1.00 1.00 H new ATOM 122 N TYR A 10 23.994 8.312 -5.738 1.00 1.00 N ATOM 123 CA TYR A 10 24.354 9.508 -6.492 1.00 1.00 C ATOM 124 C TYR A 10 25.552 10.203 -5.851 1.00 1.00 C ATOM 125 O TYR A 10 26.050 11.203 -6.369 1.00 1.00 O ATOM 126 CB TYR A 10 23.167 10.471 -6.540 1.00 1.00 C ATOM 127 CG TYR A 10 22.712 10.638 -7.970 1.00 1.00 C ATOM 128 CD1 TYR A 10 23.468 11.412 -8.859 1.00 1.00 C ATOM 129 CD2 TYR A 10 21.536 10.018 -8.407 1.00 1.00 C ATOM 130 CE1 TYR A 10 23.046 11.567 -10.185 1.00 1.00 C ATOM 131 CE2 TYR A 10 21.114 10.174 -9.733 1.00 1.00 C ATOM 132 CZ TYR A 10 21.869 10.948 -10.622 1.00 1.00 C ATOM 133 OH TYR A 10 21.454 11.101 -11.929 1.00 1.00 O ATOM 0 H TYR A 10 23.044 8.313 -5.368 1.00 1.00 H new ATOM 0 HA TYR A 10 24.621 9.211 -7.506 1.00 1.00 H new ATOM 0 HB2 TYR A 10 22.349 10.088 -5.929 1.00 1.00 H new ATOM 0 HB3 TYR A 10 23.451 11.437 -6.122 1.00 1.00 H new ATOM 0 HD1 TYR A 10 24.376 11.889 -8.522 1.00 1.00 H new ATOM 0 HD2 TYR A 10 20.954 9.419 -7.722 1.00 1.00 H new ATOM 0 HE1 TYR A 10 23.629 12.164 -10.871 1.00 1.00 H new ATOM 0 HE2 TYR A 10 20.206 9.697 -10.070 1.00 1.00 H new ATOM 0 HH TYR A 10 20.620 10.606 -12.067 1.00 1.00 H new ATOM 143 N TYR A 11 26.007 9.669 -4.723 1.00 1.00 N ATOM 144 CA TYR A 11 27.147 10.248 -4.022 1.00 1.00 C ATOM 145 C TYR A 11 28.371 10.288 -4.930 1.00 1.00 C ATOM 146 O TYR A 11 28.318 9.850 -6.079 1.00 1.00 O ATOM 147 CB TYR A 11 27.463 9.425 -2.771 1.00 1.00 C ATOM 148 CG TYR A 11 28.694 8.586 -3.019 1.00 1.00 C ATOM 149 CD1 TYR A 11 28.623 7.475 -3.868 1.00 1.00 C ATOM 150 CD2 TYR A 11 29.904 8.918 -2.398 1.00 1.00 C ATOM 151 CE1 TYR A 11 29.765 6.697 -4.097 1.00 1.00 C ATOM 152 CE2 TYR A 11 31.045 8.139 -2.628 1.00 1.00 C ATOM 153 CZ TYR A 11 30.975 7.029 -3.476 1.00 1.00 C ATOM 154 OH TYR A 11 32.100 6.262 -3.703 1.00 1.00 O ATOM 0 H TYR A 11 25.608 8.843 -4.277 1.00 1.00 H new ATOM 0 HA TYR A 11 26.892 11.267 -3.732 1.00 1.00 H new ATOM 0 HB2 TYR A 11 27.625 10.086 -1.919 1.00 1.00 H new ATOM 0 HB3 TYR A 11 26.617 8.784 -2.521 1.00 1.00 H new ATOM 0 HD1 TYR A 11 27.689 7.218 -4.346 1.00 1.00 H new ATOM 0 HD2 TYR A 11 29.958 9.774 -1.742 1.00 1.00 H new ATOM 0 HE1 TYR A 11 29.712 5.841 -4.753 1.00 1.00 H new ATOM 0 HE2 TYR A 11 31.979 8.395 -2.150 1.00 1.00 H new ATOM 0 HH TYR A 11 32.854 6.630 -3.197 1.00 1.00 H new ATOM 164 N GLY A 12 29.473 10.816 -4.406 1.00 1.00 N ATOM 165 CA GLY A 12 30.705 10.908 -5.180 1.00 1.00 C ATOM 166 C GLY A 12 31.884 11.275 -4.285 1.00 1.00 C ATOM 167 O GLY A 12 32.126 10.628 -3.266 1.00 1.00 O ATOM 0 H GLY A 12 29.538 11.184 -3.457 1.00 1.00 H new ATOM 0 HA2 GLY A 12 30.901 9.956 -5.674 1.00 1.00 H new ATOM 0 HA3 GLY A 12 30.592 11.657 -5.964 1.00 1.00 H new ATOM 171 N ALA A 13 32.615 12.315 -4.673 1.00 1.00 N ATOM 172 CA ALA A 13 33.767 12.759 -3.898 1.00 1.00 C ATOM 173 C ALA A 13 34.769 11.621 -3.728 1.00 1.00 C ATOM 174 O ALA A 13 35.039 11.180 -2.612 1.00 1.00 O ATOM 175 CB ALA A 13 33.313 13.250 -2.522 1.00 1.00 C ATOM 0 H ALA A 13 32.432 12.863 -5.514 1.00 1.00 H new ATOM 0 HA ALA A 13 34.249 13.576 -4.435 1.00 1.00 H new ATOM 0 HB1 ALA A 13 34.180 13.580 -1.949 1.00 1.00 H new ATOM 0 HB2 ALA A 13 32.620 14.082 -2.643 1.00 1.00 H new ATOM 0 HB3 ALA A 13 32.816 12.438 -1.992 1.00 1.00 H new ATOM 181 N ASP A 14 35.317 11.151 -4.844 1.00 1.00 N ATOM 182 CA ASP A 14 36.289 10.064 -4.807 1.00 1.00 C ATOM 183 C ASP A 14 37.683 10.602 -4.501 1.00 1.00 C ATOM 184 O ASP A 14 38.572 10.569 -5.352 1.00 1.00 O ATOM 185 CB ASP A 14 36.305 9.332 -6.150 1.00 1.00 C ATOM 186 CG ASP A 14 34.902 8.845 -6.495 1.00 1.00 C ATOM 187 OD1 ASP A 14 34.489 7.844 -5.933 1.00 1.00 O ATOM 188 OD2 ASP A 14 34.261 9.481 -7.315 1.00 1.00 O ATOM 0 H ASP A 14 35.107 11.502 -5.778 1.00 1.00 H new ATOM 0 HA ASP A 14 35.999 9.369 -4.019 1.00 1.00 H new ATOM 0 HB2 ASP A 14 36.670 9.998 -6.932 1.00 1.00 H new ATOM 0 HB3 ASP A 14 36.991 8.487 -6.105 1.00 1.00 H new ATOM 193 N ASN A 15 37.867 11.096 -3.281 1.00 1.00 N ATOM 194 CA ASN A 15 39.158 11.638 -2.873 1.00 1.00 C ATOM 195 C ASN A 15 39.345 11.494 -1.366 1.00 1.00 C ATOM 196 O ASN A 15 39.861 12.397 -0.705 1.00 1.00 O ATOM 197 CB ASN A 15 39.250 13.115 -3.261 1.00 1.00 C ATOM 198 CG ASN A 15 39.435 13.247 -4.769 1.00 1.00 C ATOM 199 OD1 ASN A 15 40.548 13.480 -5.241 1.00 1.00 O ATOM 200 ND2 ASN A 15 38.403 13.113 -5.558 1.00 1.00 N ATOM 0 H ASN A 15 37.144 11.132 -2.562 1.00 1.00 H new ATOM 0 HA ASN A 15 39.944 11.079 -3.381 1.00 1.00 H new ATOM 0 HB2 ASN A 15 38.346 13.638 -2.950 1.00 1.00 H new ATOM 0 HB3 ASN A 15 40.085 13.585 -2.741 1.00 1.00 H new ATOM 0 HD21 ASN A 15 38.518 13.201 -6.568 1.00 1.00 H new ATOM 0 HD22 ASN A 15 37.482 12.920 -5.165 1.00 1.00 H new ATOM 207 N GLN A 16 38.924 10.354 -0.828 1.00 1.00 N ATOM 208 CA GLN A 16 39.050 10.103 0.603 1.00 1.00 C ATOM 209 C GLN A 16 40.435 9.553 0.931 1.00 1.00 C ATOM 210 O GLN A 16 40.564 8.468 1.497 1.00 1.00 O ATOM 211 CB GLN A 16 37.982 9.105 1.054 1.00 1.00 C ATOM 212 CG GLN A 16 37.898 7.957 0.047 1.00 1.00 C ATOM 213 CD GLN A 16 36.774 8.219 -0.949 1.00 1.00 C ATOM 214 OE1 GLN A 16 36.144 7.280 -1.437 1.00 1.00 O ATOM 215 NE2 GLN A 16 36.482 9.446 -1.282 1.00 1.00 N ATOM 0 H GLN A 16 38.496 9.594 -1.357 1.00 1.00 H new ATOM 0 HA GLN A 16 38.912 11.046 1.132 1.00 1.00 H new ATOM 0 HB2 GLN A 16 38.226 8.718 2.043 1.00 1.00 H new ATOM 0 HB3 GLN A 16 37.016 9.603 1.136 1.00 1.00 H new ATOM 0 HG2 GLN A 16 38.846 7.855 -0.481 1.00 1.00 H new ATOM 0 HG3 GLN A 16 37.721 7.017 0.569 1.00 1.00 H new ATOM 0 HE21 GLN A 16 37.005 10.223 -0.877 1.00 1.00 H new ATOM 0 HE22 GLN A 16 35.731 9.629 -1.947 1.00 1.00 H new ATOM 224 N SER A 17 41.467 10.309 0.573 1.00 1.00 N ATOM 225 CA SER A 17 42.837 9.887 0.834 1.00 1.00 C ATOM 226 C SER A 17 43.126 9.906 2.333 1.00 1.00 C ATOM 227 O SER A 17 42.934 10.923 2.998 1.00 1.00 O ATOM 228 CB SER A 17 43.816 10.814 0.114 1.00 1.00 C ATOM 229 OG SER A 17 44.226 10.208 -1.105 1.00 1.00 O ATOM 0 H SER A 17 41.382 11.211 0.104 1.00 1.00 H new ATOM 0 HA SER A 17 42.961 8.870 0.463 1.00 1.00 H new ATOM 0 HB2 SER A 17 43.344 11.776 -0.085 1.00 1.00 H new ATOM 0 HB3 SER A 17 44.682 11.009 0.746 1.00 1.00 H new ATOM 0 HG SER A 17 44.853 10.801 -1.570 1.00 1.00 H new ATOM 235 N GLU A 18 43.586 8.772 2.856 1.00 1.00 N ATOM 236 CA GLU A 18 43.897 8.668 4.277 1.00 1.00 C ATOM 237 C GLU A 18 45.239 7.972 4.483 1.00 1.00 C ATOM 238 O GLU A 18 45.965 7.708 3.525 1.00 1.00 O ATOM 239 CB GLU A 18 42.800 7.881 4.997 1.00 1.00 C ATOM 240 CG GLU A 18 41.476 8.642 4.900 1.00 1.00 C ATOM 241 CD GLU A 18 41.557 9.931 5.711 1.00 1.00 C ATOM 242 OE1 GLU A 18 42.084 9.884 6.810 1.00 1.00 O ATOM 243 OE2 GLU A 18 41.094 10.947 5.219 1.00 1.00 O ATOM 0 H GLU A 18 43.750 7.919 2.321 1.00 1.00 H new ATOM 0 HA GLU A 18 43.954 9.675 4.690 1.00 1.00 H new ATOM 0 HB2 GLU A 18 42.696 6.892 4.552 1.00 1.00 H new ATOM 0 HB3 GLU A 18 43.071 7.733 6.042 1.00 1.00 H new ATOM 0 HG2 GLU A 18 41.254 8.871 3.858 1.00 1.00 H new ATOM 0 HG3 GLU A 18 40.661 8.020 5.270 1.00 1.00 H new ATOM 250 N CYS A 19 45.559 7.679 5.739 1.00 1.00 N ATOM 251 CA CYS A 19 46.817 7.013 6.059 1.00 1.00 C ATOM 252 C CYS A 19 47.015 5.792 5.168 1.00 1.00 C ATOM 253 O CYS A 19 47.700 5.863 4.147 1.00 1.00 O ATOM 254 CB CYS A 19 46.821 6.582 7.527 1.00 1.00 C ATOM 255 SG CYS A 19 45.117 6.345 8.091 1.00 1.00 S ATOM 0 H CYS A 19 44.971 7.890 6.545 1.00 1.00 H new ATOM 0 HA CYS A 19 47.634 7.714 5.885 1.00 1.00 H new ATOM 0 HB2 CYS A 19 47.386 5.657 7.644 1.00 1.00 H new ATOM 0 HB3 CYS A 19 47.316 7.337 8.138 1.00 1.00 H new ATOM 0 HG CYS A 19 44.894 5.078 8.277 1.00 1.00 H new ATOM 261 N GLU A 20 46.409 4.675 5.560 1.00 1.00 N ATOM 262 CA GLU A 20 46.521 3.442 4.790 1.00 1.00 C ATOM 263 C GLU A 20 45.215 3.150 4.059 1.00 1.00 C ATOM 264 O GLU A 20 45.045 2.074 3.485 1.00 1.00 O ATOM 265 CB GLU A 20 46.859 2.275 5.721 1.00 1.00 C ATOM 266 CG GLU A 20 47.780 1.292 4.995 1.00 1.00 C ATOM 267 CD GLU A 20 48.027 0.068 5.869 1.00 1.00 C ATOM 268 OE1 GLU A 20 47.098 -0.360 6.531 1.00 1.00 O ATOM 269 OE2 GLU A 20 49.144 -0.423 5.863 1.00 1.00 O ATOM 0 H GLU A 20 45.838 4.599 6.402 1.00 1.00 H new ATOM 0 HA GLU A 20 47.317 3.563 4.056 1.00 1.00 H new ATOM 0 HB2 GLU A 20 47.344 2.645 6.624 1.00 1.00 H new ATOM 0 HB3 GLU A 20 45.945 1.770 6.035 1.00 1.00 H new ATOM 0 HG2 GLU A 20 47.330 0.989 4.050 1.00 1.00 H new ATOM 0 HG3 GLU A 20 48.727 1.776 4.757 1.00 1.00 H new ATOM 276 N TYR A 21 44.301 4.119 4.083 1.00 1.00 N ATOM 277 CA TYR A 21 43.011 3.968 3.420 1.00 1.00 C ATOM 278 C TYR A 21 42.491 2.543 3.561 1.00 1.00 C ATOM 279 O TYR A 21 41.724 2.064 2.725 1.00 1.00 O ATOM 280 CB TYR A 21 43.151 4.329 1.943 1.00 1.00 C ATOM 281 CG TYR A 21 44.259 3.512 1.323 1.00 1.00 C ATOM 282 CD1 TYR A 21 45.573 3.996 1.334 1.00 1.00 C ATOM 283 CD2 TYR A 21 43.973 2.272 0.738 1.00 1.00 C ATOM 284 CE1 TYR A 21 46.601 3.239 0.760 1.00 1.00 C ATOM 285 CE2 TYR A 21 45.003 1.516 0.164 1.00 1.00 C ATOM 286 CZ TYR A 21 46.316 2.000 0.176 1.00 1.00 C ATOM 287 OH TYR A 21 47.331 1.254 -0.391 1.00 1.00 O ATOM 0 H TYR A 21 44.431 5.014 4.554 1.00 1.00 H new ATOM 0 HA TYR A 21 42.295 4.639 3.894 1.00 1.00 H new ATOM 0 HB2 TYR A 21 42.212 4.141 1.422 1.00 1.00 H new ATOM 0 HB3 TYR A 21 43.367 5.392 1.837 1.00 1.00 H new ATOM 0 HD1 TYR A 21 45.793 4.952 1.785 1.00 1.00 H new ATOM 0 HD2 TYR A 21 42.959 1.899 0.729 1.00 1.00 H new ATOM 0 HE1 TYR A 21 47.615 3.612 0.768 1.00 1.00 H new ATOM 0 HE2 TYR A 21 44.784 0.560 -0.288 1.00 1.00 H new ATOM 0 HH TYR A 21 46.962 0.420 -0.751 1.00 1.00 H new ATOM 297 N THR A 22 42.918 1.872 4.627 1.00 1.00 N ATOM 298 CA THR A 22 42.497 0.498 4.880 1.00 1.00 C ATOM 299 C THR A 22 41.965 0.354 6.302 1.00 1.00 C ATOM 300 O THR A 22 41.053 -0.433 6.555 1.00 1.00 O ATOM 301 CB THR A 22 43.681 -0.452 4.678 1.00 1.00 C ATOM 302 OG1 THR A 22 43.837 -0.721 3.292 1.00 1.00 O ATOM 303 CG2 THR A 22 43.425 -1.759 5.429 1.00 1.00 C ATOM 0 H THR A 22 43.553 2.256 5.327 1.00 1.00 H new ATOM 0 HA THR A 22 41.701 0.245 4.180 1.00 1.00 H new ATOM 0 HB THR A 22 44.589 0.011 5.064 1.00 1.00 H new ATOM 0 HG1 THR A 22 44.293 0.032 2.862 1.00 1.00 H new ATOM 0 HG21 THR A 22 44.269 -2.433 5.284 1.00 1.00 H new ATOM 0 HG22 THR A 22 43.306 -1.550 6.492 1.00 1.00 H new ATOM 0 HG23 THR A 22 42.517 -2.226 5.047 1.00 1.00 H new ATOM 311 N ASP A 23 42.543 1.118 7.225 1.00 1.00 N ATOM 312 CA ASP A 23 42.121 1.069 8.621 1.00 1.00 C ATOM 313 C ASP A 23 41.341 2.324 8.995 1.00 1.00 C ATOM 314 O ASP A 23 41.255 2.686 10.169 1.00 1.00 O ATOM 315 CB ASP A 23 43.345 0.937 9.530 1.00 1.00 C ATOM 316 CG ASP A 23 44.041 2.287 9.671 1.00 1.00 C ATOM 317 OD1 ASP A 23 43.881 3.110 8.785 1.00 1.00 O ATOM 318 OD2 ASP A 23 44.725 2.477 10.663 1.00 1.00 O ATOM 0 H ASP A 23 43.300 1.774 7.033 1.00 1.00 H new ATOM 0 HA ASP A 23 41.472 0.203 8.753 1.00 1.00 H new ATOM 0 HB2 ASP A 23 43.041 0.571 10.511 1.00 1.00 H new ATOM 0 HB3 ASP A 23 44.037 0.204 9.117 1.00 1.00 H new ATOM 323 N TRP A 24 40.771 2.982 7.993 1.00 1.00 N ATOM 324 CA TRP A 24 39.995 4.195 8.231 1.00 1.00 C ATOM 325 C TRP A 24 38.816 3.910 9.156 1.00 1.00 C ATOM 326 O TRP A 24 38.051 4.813 9.496 1.00 1.00 O ATOM 327 CB TRP A 24 39.480 4.772 6.906 1.00 1.00 C ATOM 328 CG TRP A 24 39.246 3.669 5.921 1.00 1.00 C ATOM 329 CD1 TRP A 24 38.870 2.408 6.237 1.00 1.00 C ATOM 330 CD2 TRP A 24 39.364 3.711 4.470 1.00 1.00 C ATOM 331 NE1 TRP A 24 38.750 1.673 5.071 1.00 1.00 N ATOM 332 CE2 TRP A 24 39.044 2.431 3.955 1.00 1.00 C ATOM 333 CE3 TRP A 24 39.713 4.724 3.559 1.00 1.00 C ATOM 334 CZ2 TRP A 24 39.071 2.167 2.585 1.00 1.00 C ATOM 335 CZ3 TRP A 24 39.741 4.460 2.179 1.00 1.00 C ATOM 336 CH2 TRP A 24 39.420 3.184 1.694 1.00 1.00 C ATOM 0 H TRP A 24 40.830 2.700 7.015 1.00 1.00 H new ATOM 0 HA TRP A 24 40.650 4.924 8.708 1.00 1.00 H new ATOM 0 HB2 TRP A 24 38.554 5.322 7.075 1.00 1.00 H new ATOM 0 HB3 TRP A 24 40.203 5.482 6.504 1.00 1.00 H new ATOM 0 HD1 TRP A 24 38.693 2.036 7.235 1.00 1.00 H new ATOM 0 HE1 TRP A 24 38.477 0.691 5.040 1.00 1.00 H new ATOM 0 HE3 TRP A 24 39.961 5.710 3.922 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 38.824 1.183 2.216 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 40.011 5.245 1.488 1.00 1.00 H new ATOM 0 HH2 TRP A 24 39.443 2.988 0.632 1.00 1.00 H new ATOM 347 N LYS A 25 38.674 2.653 9.567 1.00 1.00 N ATOM 348 CA LYS A 25 37.582 2.272 10.458 1.00 1.00 C ATOM 349 C LYS A 25 37.734 0.825 10.918 1.00 1.00 C ATOM 350 O LYS A 25 36.753 0.087 11.015 1.00 1.00 O ATOM 351 CB LYS A 25 36.239 2.451 9.750 1.00 1.00 C ATOM 352 CG LYS A 25 36.228 1.666 8.436 1.00 1.00 C ATOM 353 CD LYS A 25 34.890 0.941 8.297 1.00 1.00 C ATOM 354 CE LYS A 25 34.725 0.441 6.861 1.00 1.00 C ATOM 355 NZ LYS A 25 34.094 -0.909 6.874 1.00 1.00 N ATOM 0 H LYS A 25 39.294 1.888 9.301 1.00 1.00 H new ATOM 0 HA LYS A 25 37.617 2.919 11.334 1.00 1.00 H new ATOM 0 HB2 LYS A 25 35.430 2.107 10.395 1.00 1.00 H new ATOM 0 HB3 LYS A 25 36.061 3.508 9.553 1.00 1.00 H new ATOM 0 HG2 LYS A 25 36.379 2.341 7.594 1.00 1.00 H new ATOM 0 HG3 LYS A 25 37.048 0.948 8.420 1.00 1.00 H new ATOM 0 HD2 LYS A 25 34.845 0.103 8.992 1.00 1.00 H new ATOM 0 HD3 LYS A 25 34.072 1.613 8.555 1.00 1.00 H new ATOM 0 HE2 LYS A 25 34.109 1.137 6.291 1.00 1.00 H new ATOM 0 HE3 LYS A 25 35.695 0.396 6.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 33.982 -1.249 5.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 34.698 -1.570 7.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 33.161 -0.852 7.330 1.00 1.00 H new ATOM 369 N SER A 26 38.969 0.428 11.197 1.00 1.00 N ATOM 370 CA SER A 26 39.241 -0.933 11.646 1.00 1.00 C ATOM 371 C SER A 26 40.463 -0.963 12.558 1.00 1.00 C ATOM 372 O SER A 26 40.335 -1.020 13.782 1.00 1.00 O ATOM 373 CB SER A 26 39.481 -1.842 10.440 1.00 1.00 C ATOM 374 OG SER A 26 39.661 -3.178 10.890 1.00 1.00 O ATOM 0 H SER A 26 39.794 1.024 11.121 1.00 1.00 H new ATOM 0 HA SER A 26 38.376 -1.290 12.205 1.00 1.00 H new ATOM 0 HB2 SER A 26 38.635 -1.787 9.754 1.00 1.00 H new ATOM 0 HB3 SER A 26 40.361 -1.510 9.888 1.00 1.00 H new ATOM 0 HG SER A 26 39.813 -3.765 10.120 1.00 1.00 H new ATOM 380 N SER A 27 41.648 -0.927 11.956 1.00 1.00 N ATOM 381 CA SER A 27 42.886 -0.952 12.725 1.00 1.00 C ATOM 382 C SER A 27 42.900 -2.145 13.676 1.00 1.00 C ATOM 383 O SER A 27 43.382 -2.045 14.805 1.00 1.00 O ATOM 384 CB SER A 27 43.030 0.343 13.525 1.00 1.00 C ATOM 385 OG SER A 27 42.527 1.428 12.757 1.00 1.00 O ATOM 0 H SER A 27 41.776 -0.881 10.945 1.00 1.00 H new ATOM 0 HA SER A 27 43.722 -1.044 12.031 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.485 0.265 14.466 1.00 1.00 H new ATOM 0 HB3 SER A 27 44.077 0.514 13.776 1.00 1.00 H new ATOM 0 HG SER A 27 42.617 2.260 13.268 1.00 1.00 H new ATOM 391 N GLY A 28 42.370 -3.271 13.211 1.00 1.00 N ATOM 392 CA GLY A 28 42.327 -4.477 14.029 1.00 1.00 C ATOM 393 C GLY A 28 41.267 -4.359 15.119 1.00 1.00 C ATOM 394 O GLY A 28 41.138 -5.239 15.970 1.00 1.00 O ATOM 0 H GLY A 28 41.967 -3.374 12.280 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.112 -5.341 13.399 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.303 -4.648 14.483 1.00 1.00 H new ATOM 398 N ALA A 29 40.512 -3.266 15.087 1.00 1.00 N ATOM 399 CA ALA A 29 39.466 -3.043 16.079 1.00 1.00 C ATOM 400 C ALA A 29 39.962 -3.419 17.472 1.00 1.00 C ATOM 401 O ALA A 29 39.364 -4.256 18.148 1.00 1.00 O ATOM 402 CB ALA A 29 38.232 -3.877 15.732 1.00 1.00 C ATOM 0 H ALA A 29 40.603 -2.526 14.391 1.00 1.00 H new ATOM 0 HA ALA A 29 39.203 -1.985 16.072 1.00 1.00 H new ATOM 0 HB1 ALA A 29 37.455 -3.705 16.477 1.00 1.00 H new ATOM 0 HB2 ALA A 29 37.862 -3.587 14.749 1.00 1.00 H new ATOM 0 HB3 ALA A 29 38.498 -4.934 15.722 1.00 1.00 H new ATOM 408 N LEU A 30 41.058 -2.793 17.892 1.00 1.00 N ATOM 409 CA LEU A 30 41.630 -3.065 19.207 1.00 1.00 C ATOM 410 C LEU A 30 41.914 -1.762 19.945 1.00 1.00 C ATOM 411 O LEU A 30 41.903 -1.718 21.176 1.00 1.00 O ATOM 412 CB LEU A 30 42.928 -3.861 19.057 1.00 1.00 C ATOM 413 CG LEU A 30 42.597 -5.330 18.785 1.00 1.00 C ATOM 414 CD1 LEU A 30 43.635 -5.919 17.829 1.00 1.00 C ATOM 415 CD2 LEU A 30 42.617 -6.108 20.101 1.00 1.00 C ATOM 0 H LEU A 30 41.565 -2.098 17.344 1.00 1.00 H new ATOM 0 HA LEU A 30 40.911 -3.648 19.783 1.00 1.00 H new ATOM 0 HB2 LEU A 30 43.524 -3.454 18.240 1.00 1.00 H new ATOM 0 HB3 LEU A 30 43.527 -3.774 19.963 1.00 1.00 H new ATOM 0 HG LEU A 30 41.607 -5.402 18.334 1.00 1.00 H new ATOM 0 HD11 LEU A 30 43.399 -6.965 17.635 1.00 1.00 H new ATOM 0 HD12 LEU A 30 43.622 -5.364 16.891 1.00 1.00 H new ATOM 0 HD13 LEU A 30 44.625 -5.848 18.278 1.00 1.00 H new ATOM 0 HD21 LEU A 30 42.381 -7.155 19.909 1.00 1.00 H new ATOM 0 HD22 LEU A 30 43.607 -6.036 20.551 1.00 1.00 H new ATOM 0 HD23 LEU A 30 41.877 -5.689 20.783 1.00 1.00 H new ATOM 427 N ILE A 31 42.167 -0.700 19.187 1.00 1.00 N ATOM 428 CA ILE A 31 42.453 0.600 19.782 1.00 1.00 C ATOM 429 C ILE A 31 41.155 1.359 20.079 1.00 1.00 C ATOM 430 O ILE A 31 41.038 2.006 21.119 1.00 1.00 O ATOM 431 CB ILE A 31 43.372 1.413 18.847 1.00 1.00 C ATOM 432 CG1 ILE A 31 44.790 1.456 19.438 1.00 1.00 C ATOM 433 CG2 ILE A 31 42.852 2.847 18.644 1.00 1.00 C ATOM 434 CD1 ILE A 31 44.828 2.339 20.693 1.00 1.00 C ATOM 0 H ILE A 31 42.180 -0.713 18.167 1.00 1.00 H new ATOM 0 HA ILE A 31 42.970 0.449 20.730 1.00 1.00 H new ATOM 0 HB ILE A 31 43.384 0.922 17.874 1.00 1.00 H new ATOM 0 HG12 ILE A 31 45.116 0.446 19.688 1.00 1.00 H new ATOM 0 HG13 ILE A 31 45.488 1.842 18.695 1.00 1.00 H new ATOM 0 HG21 ILE A 31 43.526 3.388 17.980 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.856 2.814 18.202 1.00 1.00 H new ATOM 0 HG23 ILE A 31 42.805 3.357 19.606 1.00 1.00 H new ATOM 0 HD11 ILE A 31 45.841 2.356 21.096 1.00 1.00 H new ATOM 0 HD12 ILE A 31 44.524 3.353 20.434 1.00 1.00 H new ATOM 0 HD13 ILE A 31 44.146 1.936 21.442 1.00 1.00 H new ATOM 446 N PRO A 32 40.185 1.298 19.197 1.00 1.00 N ATOM 447 CA PRO A 32 38.883 2.003 19.393 1.00 1.00 C ATOM 448 C PRO A 32 38.164 1.533 20.656 1.00 1.00 C ATOM 449 O PRO A 32 37.706 2.345 21.460 1.00 1.00 O ATOM 450 CB PRO A 32 38.068 1.654 18.142 1.00 1.00 C ATOM 451 CG PRO A 32 39.057 1.163 17.136 1.00 1.00 C ATOM 452 CD PRO A 32 40.213 0.558 17.926 1.00 1.00 C ATOM 0 HA PRO A 32 39.022 3.076 19.521 1.00 1.00 H new ATOM 0 HB2 PRO A 32 37.322 0.890 18.362 1.00 1.00 H new ATOM 0 HB3 PRO A 32 37.531 2.526 17.769 1.00 1.00 H new ATOM 0 HG2 PRO A 32 38.605 0.420 16.478 1.00 1.00 H new ATOM 0 HG3 PRO A 32 39.405 1.979 16.503 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.076 -0.512 18.082 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.163 0.686 17.408 1.00 1.00 H new ATOM 460 N ALA A 33 38.070 0.218 20.822 1.00 1.00 N ATOM 461 CA ALA A 33 37.405 -0.347 21.990 1.00 1.00 C ATOM 462 C ALA A 33 38.016 0.207 23.273 1.00 1.00 C ATOM 463 O ALA A 33 37.415 0.124 24.344 1.00 1.00 O ATOM 464 CB ALA A 33 37.534 -1.872 21.978 1.00 1.00 C ATOM 0 H ALA A 33 38.442 -0.471 20.169 1.00 1.00 H new ATOM 0 HA ALA A 33 36.351 -0.072 21.954 1.00 1.00 H new ATOM 0 HB1 ALA A 33 37.035 -2.286 22.854 1.00 1.00 H new ATOM 0 HB2 ALA A 33 37.071 -2.269 21.075 1.00 1.00 H new ATOM 0 HB3 ALA A 33 38.588 -2.148 21.997 1.00 1.00 H new ATOM 470 N ILE A 34 39.213 0.771 23.158 1.00 1.00 N ATOM 471 CA ILE A 34 39.896 1.336 24.315 1.00 1.00 C ATOM 472 C ILE A 34 39.730 2.852 24.346 1.00 1.00 C ATOM 473 O ILE A 34 39.886 3.482 25.392 1.00 1.00 O ATOM 474 CB ILE A 34 41.383 0.984 24.268 1.00 1.00 C ATOM 475 CG1 ILE A 34 41.568 -0.489 24.639 1.00 1.00 C ATOM 476 CG2 ILE A 34 42.148 1.860 25.261 1.00 1.00 C ATOM 477 CD1 ILE A 34 42.978 -0.941 24.250 1.00 1.00 C ATOM 0 H ILE A 34 39.728 0.849 22.281 1.00 1.00 H new ATOM 0 HA ILE A 34 39.453 0.914 25.217 1.00 1.00 H new ATOM 0 HB ILE A 34 41.766 1.158 23.262 1.00 1.00 H new ATOM 0 HG12 ILE A 34 41.412 -0.628 25.709 1.00 1.00 H new ATOM 0 HG13 ILE A 34 40.825 -1.100 24.127 1.00 1.00 H new ATOM 0 HG21 ILE A 34 43.208 1.608 25.227 1.00 1.00 H new ATOM 0 HG22 ILE A 34 42.016 2.909 24.998 1.00 1.00 H new ATOM 0 HG23 ILE A 34 41.766 1.688 26.267 1.00 1.00 H new ATOM 0 HD11 ILE A 34 43.110 -1.990 24.514 1.00 1.00 H new ATOM 0 HD12 ILE A 34 43.116 -0.817 23.176 1.00 1.00 H new ATOM 0 HD13 ILE A 34 43.713 -0.338 24.782 1.00 1.00 H new ATOM 489 N TYR A 35 39.412 3.431 23.192 1.00 1.00 N ATOM 490 CA TYR A 35 39.227 4.874 23.097 1.00 1.00 C ATOM 491 C TYR A 35 37.834 5.267 23.579 1.00 1.00 C ATOM 492 O TYR A 35 37.679 6.216 24.350 1.00 1.00 O ATOM 493 CB TYR A 35 39.416 5.332 21.650 1.00 1.00 C ATOM 494 CG TYR A 35 40.278 6.573 21.621 1.00 1.00 C ATOM 495 CD1 TYR A 35 39.815 7.757 22.207 1.00 1.00 C ATOM 496 CD2 TYR A 35 41.535 6.541 21.007 1.00 1.00 C ATOM 497 CE1 TYR A 35 40.611 8.908 22.182 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.331 7.692 20.981 1.00 1.00 C ATOM 499 CZ TYR A 35 41.868 8.876 21.568 1.00 1.00 C ATOM 500 OH TYR A 35 42.653 10.011 21.541 1.00 1.00 O ATOM 0 H TYR A 35 39.278 2.927 22.316 1.00 1.00 H new ATOM 0 HA TYR A 35 39.970 5.359 23.730 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.882 4.539 21.065 1.00 1.00 H new ATOM 0 HB3 TYR A 35 38.448 5.538 21.194 1.00 1.00 H new ATOM 0 HD1 TYR A 35 38.844 7.782 22.678 1.00 1.00 H new ATOM 0 HD2 TYR A 35 41.891 5.628 20.553 1.00 1.00 H new ATOM 0 HE1 TYR A 35 40.255 9.821 22.637 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.302 7.667 20.508 1.00 1.00 H new ATOM 0 HH TYR A 35 43.494 9.816 21.078 1.00 1.00 H new ATOM 510 N MET A 36 36.827 4.533 23.121 1.00 1.00 N ATOM 511 CA MET A 36 35.450 4.814 23.513 1.00 1.00 C ATOM 512 C MET A 36 35.205 4.382 24.954 1.00 1.00 C ATOM 513 O MET A 36 34.285 4.868 25.611 1.00 1.00 O ATOM 514 CB MET A 36 34.485 4.077 22.584 1.00 1.00 C ATOM 515 CG MET A 36 34.587 4.666 21.176 1.00 1.00 C ATOM 516 SD MET A 36 33.474 3.774 20.060 1.00 1.00 S ATOM 517 CE MET A 36 34.300 2.164 20.137 1.00 1.00 C ATOM 0 H MET A 36 36.935 3.745 22.483 1.00 1.00 H new ATOM 0 HA MET A 36 35.280 5.888 23.436 1.00 1.00 H new ATOM 0 HB2 MET A 36 34.723 3.014 22.564 1.00 1.00 H new ATOM 0 HB3 MET A 36 33.464 4.168 22.955 1.00 1.00 H new ATOM 0 HG2 MET A 36 34.328 5.725 21.194 1.00 1.00 H new ATOM 0 HG3 MET A 36 35.613 4.595 20.815 1.00 1.00 H new ATOM 0 HE1 MET A 36 34.294 1.704 19.149 1.00 1.00 H new ATOM 0 HE2 MET A 36 35.330 2.299 20.468 1.00 1.00 H new ATOM 0 HE3 MET A 36 33.774 1.519 20.841 1.00 1.00 H new ATOM 527 N LEU A 37 36.038 3.468 25.442 1.00 1.00 N ATOM 528 CA LEU A 37 35.905 2.979 26.809 1.00 1.00 C ATOM 529 C LEU A 37 36.372 4.044 27.798 1.00 1.00 C ATOM 530 O LEU A 37 36.612 3.756 28.971 1.00 1.00 O ATOM 531 CB LEU A 37 36.739 1.706 26.991 1.00 1.00 C ATOM 532 CG LEU A 37 35.830 0.470 26.951 1.00 1.00 C ATOM 533 CD1 LEU A 37 34.926 0.443 28.188 1.00 1.00 C ATOM 534 CD2 LEU A 37 34.964 0.513 25.689 1.00 1.00 C ATOM 0 H LEU A 37 36.807 3.054 24.915 1.00 1.00 H new ATOM 0 HA LEU A 37 34.856 2.753 27.000 1.00 1.00 H new ATOM 0 HB2 LEU A 37 37.491 1.639 26.205 1.00 1.00 H new ATOM 0 HB3 LEU A 37 37.273 1.744 27.941 1.00 1.00 H new ATOM 0 HG LEU A 37 36.449 -0.427 26.941 1.00 1.00 H new ATOM 0 HD11 LEU A 37 34.285 -0.438 28.151 1.00 1.00 H new ATOM 0 HD12 LEU A 37 35.541 0.406 29.087 1.00 1.00 H new ATOM 0 HD13 LEU A 37 34.309 1.341 28.207 1.00 1.00 H new ATOM 0 HD21 LEU A 37 34.318 -0.365 25.661 1.00 1.00 H new ATOM 0 HD22 LEU A 37 34.351 1.414 25.699 1.00 1.00 H new ATOM 0 HD23 LEU A 37 35.605 0.520 24.808 1.00 1.00 H new ATOM 546 N VAL A 38 36.495 5.277 27.312 1.00 1.00 N ATOM 547 CA VAL A 38 36.931 6.384 28.154 1.00 1.00 C ATOM 548 C VAL A 38 36.019 7.590 27.957 1.00 1.00 C ATOM 549 O VAL A 38 35.870 8.423 28.852 1.00 1.00 O ATOM 550 CB VAL A 38 38.371 6.769 27.805 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.913 7.735 28.859 1.00 1.00 C ATOM 552 CG2 VAL A 38 39.239 5.509 27.774 1.00 1.00 C ATOM 0 H VAL A 38 36.300 5.532 26.344 1.00 1.00 H new ATOM 0 HA VAL A 38 36.883 6.069 29.196 1.00 1.00 H new ATOM 0 HB VAL A 38 38.392 7.252 26.828 1.00 1.00 H new ATOM 0 HG11 VAL A 38 39.938 8.008 28.609 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.294 8.632 28.883 1.00 1.00 H new ATOM 0 HG13 VAL A 38 38.894 7.254 29.837 1.00 1.00 H new ATOM 0 HG21 VAL A 38 40.265 5.780 27.526 1.00 1.00 H new ATOM 0 HG22 VAL A 38 39.217 5.028 28.752 1.00 1.00 H new ATOM 0 HG23 VAL A 38 38.854 4.820 27.022 1.00 1.00 H new ATOM 562 N PHE A 39 35.409 7.674 26.779 1.00 1.00 N ATOM 563 CA PHE A 39 34.509 8.778 26.470 1.00 1.00 C ATOM 564 C PHE A 39 33.173 8.593 27.181 1.00 1.00 C ATOM 565 O PHE A 39 32.832 9.348 28.091 1.00 1.00 O ATOM 566 CB PHE A 39 34.276 8.856 24.960 1.00 1.00 C ATOM 567 CG PHE A 39 35.257 9.828 24.348 1.00 1.00 C ATOM 568 CD1 PHE A 39 35.164 11.194 24.642 1.00 1.00 C ATOM 569 CD2 PHE A 39 36.259 9.364 23.486 1.00 1.00 C ATOM 570 CE1 PHE A 39 36.072 12.095 24.074 1.00 1.00 C ATOM 571 CE2 PHE A 39 37.167 10.267 22.918 1.00 1.00 C ATOM 572 CZ PHE A 39 37.073 11.633 23.212 1.00 1.00 C ATOM 0 H PHE A 39 35.521 6.994 26.027 1.00 1.00 H new ATOM 0 HA PHE A 39 34.969 9.704 26.815 1.00 1.00 H new ATOM 0 HB2 PHE A 39 34.397 7.870 24.511 1.00 1.00 H new ATOM 0 HB3 PHE A 39 33.255 9.176 24.755 1.00 1.00 H new ATOM 0 HD1 PHE A 39 34.392 11.552 25.307 1.00 1.00 H new ATOM 0 HD2 PHE A 39 36.331 8.311 23.259 1.00 1.00 H new ATOM 0 HE1 PHE A 39 36.000 13.148 24.301 1.00 1.00 H new ATOM 0 HE2 PHE A 39 37.940 9.910 22.253 1.00 1.00 H new ATOM 0 HZ PHE A 39 37.773 12.329 22.774 1.00 1.00 H new ATOM 582 N LEU A 40 32.422 7.583 26.758 1.00 1.00 N ATOM 583 CA LEU A 40 31.124 7.304 27.361 1.00 1.00 C ATOM 584 C LEU A 40 31.271 7.067 28.860 1.00 1.00 C ATOM 585 O LEU A 40 30.282 6.907 29.574 1.00 1.00 O ATOM 586 CB LEU A 40 30.500 6.072 26.707 1.00 1.00 C ATOM 587 CG LEU A 40 31.396 4.856 26.947 1.00 1.00 C ATOM 588 CD1 LEU A 40 30.765 3.959 28.015 1.00 1.00 C ATOM 589 CD2 LEU A 40 31.543 4.068 25.643 1.00 1.00 C ATOM 0 H LEU A 40 32.687 6.948 26.005 1.00 1.00 H new ATOM 0 HA LEU A 40 30.477 8.166 27.202 1.00 1.00 H new ATOM 0 HB2 LEU A 40 29.507 5.892 27.119 1.00 1.00 H new ATOM 0 HB3 LEU A 40 30.375 6.239 25.637 1.00 1.00 H new ATOM 0 HG LEU A 40 32.377 5.189 27.286 1.00 1.00 H new ATOM 0 HD11 LEU A 40 31.404 3.092 28.186 1.00 1.00 H new ATOM 0 HD12 LEU A 40 30.658 4.519 28.944 1.00 1.00 H new ATOM 0 HD13 LEU A 40 29.784 3.626 27.677 1.00 1.00 H new ATOM 0 HD21 LEU A 40 32.181 3.201 25.812 1.00 1.00 H new ATOM 0 HD22 LEU A 40 30.561 3.736 25.306 1.00 1.00 H new ATOM 0 HD23 LEU A 40 31.991 4.706 24.881 1.00 1.00 H new ATOM 601 N LEU A 41 32.512 7.051 29.328 1.00 1.00 N ATOM 602 CA LEU A 41 32.784 6.837 30.742 1.00 1.00 C ATOM 603 C LEU A 41 32.590 8.143 31.506 1.00 1.00 C ATOM 604 O LEU A 41 31.778 8.222 32.428 1.00 1.00 O ATOM 605 CB LEU A 41 34.221 6.307 30.903 1.00 1.00 C ATOM 606 CG LEU A 41 34.816 6.684 32.269 1.00 1.00 C ATOM 607 CD1 LEU A 41 33.893 6.219 33.399 1.00 1.00 C ATOM 608 CD2 LEU A 41 36.174 5.995 32.423 1.00 1.00 C ATOM 0 H LEU A 41 33.343 7.183 28.751 1.00 1.00 H new ATOM 0 HA LEU A 41 32.092 6.101 31.151 1.00 1.00 H new ATOM 0 HB2 LEU A 41 34.224 5.223 30.792 1.00 1.00 H new ATOM 0 HB3 LEU A 41 34.849 6.711 30.109 1.00 1.00 H new ATOM 0 HG LEU A 41 34.927 7.767 32.323 1.00 1.00 H new ATOM 0 HD11 LEU A 41 34.328 6.493 34.360 1.00 1.00 H new ATOM 0 HD12 LEU A 41 32.919 6.696 33.292 1.00 1.00 H new ATOM 0 HD13 LEU A 41 33.775 5.137 33.350 1.00 1.00 H new ATOM 0 HD21 LEU A 41 36.606 6.255 33.389 1.00 1.00 H new ATOM 0 HD22 LEU A 41 36.043 4.915 32.363 1.00 1.00 H new ATOM 0 HD23 LEU A 41 36.841 6.324 31.626 1.00 1.00 H new ATOM 620 N GLY A 42 33.338 9.167 31.110 1.00 1.00 N ATOM 621 CA GLY A 42 33.242 10.468 31.758 1.00 1.00 C ATOM 622 C GLY A 42 31.787 10.894 31.921 1.00 1.00 C ATOM 623 O GLY A 42 31.428 11.545 32.901 1.00 1.00 O ATOM 0 H GLY A 42 34.014 9.121 30.347 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.724 10.428 32.735 1.00 1.00 H new ATOM 0 HA3 GLY A 42 33.778 11.212 31.169 1.00 1.00 H new ATOM 627 N THR A 43 30.952 10.524 30.954 1.00 1.00 N ATOM 628 CA THR A 43 29.538 10.877 31.006 1.00 1.00 C ATOM 629 C THR A 43 28.737 10.039 30.016 1.00 1.00 C ATOM 630 O THR A 43 28.938 8.830 29.905 1.00 1.00 O ATOM 631 CB THR A 43 29.360 12.362 30.681 1.00 1.00 C ATOM 632 OG1 THR A 43 27.988 12.711 30.812 1.00 1.00 O ATOM 633 CG2 THR A 43 29.824 12.633 29.251 1.00 1.00 C ATOM 0 H THR A 43 31.227 9.985 30.133 1.00 1.00 H new ATOM 0 HA THR A 43 29.170 10.677 32.012 1.00 1.00 H new ATOM 0 HB THR A 43 29.955 12.960 31.371 1.00 1.00 H new ATOM 0 HG1 THR A 43 27.871 13.662 30.606 1.00 1.00 H new ATOM 0 HG21 THR A 43 29.696 13.691 29.021 1.00 1.00 H new ATOM 0 HG22 THR A 43 30.876 12.365 29.153 1.00 1.00 H new ATOM 0 HG23 THR A 43 29.231 12.037 28.557 1.00 1.00 H new ATOM 641 N THR A 44 27.827 10.691 29.300 1.00 1.00 N ATOM 642 CA THR A 44 26.998 10.000 28.320 1.00 1.00 C ATOM 643 C THR A 44 26.106 8.965 29.001 1.00 1.00 C ATOM 644 O THR A 44 24.888 9.132 29.068 1.00 1.00 O ATOM 645 CB THR A 44 27.882 9.311 27.277 1.00 1.00 C ATOM 646 OG1 THR A 44 29.039 10.103 27.043 1.00 1.00 O ATOM 647 CG2 THR A 44 27.102 9.143 25.973 1.00 1.00 C ATOM 0 H THR A 44 27.646 11.692 29.379 1.00 1.00 H new ATOM 0 HA THR A 44 26.365 10.737 27.827 1.00 1.00 H new ATOM 0 HB THR A 44 28.181 8.330 27.645 1.00 1.00 H new ATOM 0 HG1 THR A 44 29.437 9.854 26.183 1.00 1.00 H new ATOM 0 HG21 THR A 44 27.733 8.652 25.232 1.00 1.00 H new ATOM 0 HG22 THR A 44 26.216 8.535 26.155 1.00 1.00 H new ATOM 0 HG23 THR A 44 26.800 10.122 25.601 1.00 1.00 H new ATOM 655 N GLY A 45 26.719 7.896 29.501 1.00 1.00 N ATOM 656 CA GLY A 45 25.968 6.841 30.171 1.00 1.00 C ATOM 657 C GLY A 45 26.124 6.933 31.685 1.00 1.00 C ATOM 658 O GLY A 45 26.100 5.919 32.383 1.00 1.00 O ATOM 0 H GLY A 45 27.726 7.738 29.455 1.00 1.00 H new ATOM 0 HA2 GLY A 45 24.913 6.916 29.906 1.00 1.00 H new ATOM 0 HA3 GLY A 45 26.315 5.867 29.825 1.00 1.00 H new ATOM 662 N ASN A 46 26.283 8.154 32.186 1.00 1.00 N ATOM 663 CA ASN A 46 26.440 8.364 33.620 1.00 1.00 C ATOM 664 C ASN A 46 25.909 9.737 34.021 1.00 1.00 C ATOM 665 O ASN A 46 26.432 10.765 33.590 1.00 1.00 O ATOM 666 CB ASN A 46 27.916 8.253 34.007 1.00 1.00 C ATOM 667 CG ASN A 46 28.419 6.838 33.750 1.00 1.00 C ATOM 668 OD1 ASN A 46 28.411 6.001 34.653 1.00 1.00 O ATOM 669 ND2 ASN A 46 28.862 6.517 32.565 1.00 1.00 N ATOM 0 H ASN A 46 26.306 9.006 31.626 1.00 1.00 H new ATOM 0 HA ASN A 46 25.869 7.598 34.145 1.00 1.00 H new ATOM 0 HB2 ASN A 46 28.506 8.967 33.432 1.00 1.00 H new ATOM 0 HB3 ASN A 46 28.044 8.508 35.059 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.202 5.572 32.386 1.00 1.00 H new ATOM 0 HD22 ASN A 46 28.868 7.211 31.818 1.00 1.00 H new ATOM 676 N GLY A 47 24.869 9.745 34.847 1.00 1.00 N ATOM 677 CA GLY A 47 24.274 10.998 35.298 1.00 1.00 C ATOM 678 C GLY A 47 23.207 11.475 34.321 1.00 1.00 C ATOM 679 O GLY A 47 22.297 12.217 34.693 1.00 1.00 O ATOM 0 H GLY A 47 24.423 8.905 35.216 1.00 1.00 H new ATOM 0 HA2 GLY A 47 23.834 10.861 36.286 1.00 1.00 H new ATOM 0 HA3 GLY A 47 25.049 11.758 35.397 1.00 1.00 H new ATOM 683 N LEU A 48 23.324 11.044 33.069 1.00 1.00 N ATOM 684 CA LEU A 48 22.363 11.433 32.044 1.00 1.00 C ATOM 685 C LEU A 48 21.373 10.301 31.784 1.00 1.00 C ATOM 686 O LEU A 48 20.313 10.513 31.195 1.00 1.00 O ATOM 687 CB LEU A 48 23.097 11.781 30.743 1.00 1.00 C ATOM 688 CG LEU A 48 23.175 13.302 30.572 1.00 1.00 C ATOM 689 CD1 LEU A 48 21.776 13.875 30.322 1.00 1.00 C ATOM 690 CD2 LEU A 48 23.764 13.931 31.838 1.00 1.00 C ATOM 0 H LEU A 48 24.069 10.430 32.742 1.00 1.00 H new ATOM 0 HA LEU A 48 21.816 12.307 32.397 1.00 1.00 H new ATOM 0 HB2 LEU A 48 24.101 11.357 30.758 1.00 1.00 H new ATOM 0 HB3 LEU A 48 22.577 11.338 29.894 1.00 1.00 H new ATOM 0 HG LEU A 48 23.813 13.531 29.718 1.00 1.00 H new ATOM 0 HD11 LEU A 48 21.842 14.956 30.202 1.00 1.00 H new ATOM 0 HD12 LEU A 48 21.359 13.434 29.417 1.00 1.00 H new ATOM 0 HD13 LEU A 48 21.131 13.643 31.169 1.00 1.00 H new ATOM 0 HD21 LEU A 48 23.819 15.013 31.715 1.00 1.00 H new ATOM 0 HD22 LEU A 48 23.128 13.695 32.691 1.00 1.00 H new ATOM 0 HD23 LEU A 48 24.765 13.534 32.010 1.00 1.00 H new ATOM 702 N VAL A 49 21.725 9.098 32.228 1.00 1.00 N ATOM 703 CA VAL A 49 20.859 7.941 32.038 1.00 1.00 C ATOM 704 C VAL A 49 19.678 7.993 33.003 1.00 1.00 C ATOM 705 O VAL A 49 18.549 7.666 32.635 1.00 1.00 O ATOM 706 CB VAL A 49 21.651 6.653 32.267 1.00 1.00 C ATOM 707 CG1 VAL A 49 20.687 5.509 32.591 1.00 1.00 C ATOM 708 CG2 VAL A 49 22.438 6.309 31.001 1.00 1.00 C ATOM 0 H VAL A 49 22.597 8.900 32.718 1.00 1.00 H new ATOM 0 HA VAL A 49 20.480 7.957 31.016 1.00 1.00 H new ATOM 0 HB VAL A 49 22.340 6.794 33.100 1.00 1.00 H new ATOM 0 HG11 VAL A 49 21.253 4.592 32.754 1.00 1.00 H new ATOM 0 HG12 VAL A 49 20.123 5.752 33.491 1.00 1.00 H new ATOM 0 HG13 VAL A 49 19.998 5.367 31.759 1.00 1.00 H new ATOM 0 HG21 VAL A 49 23.003 5.391 31.162 1.00 1.00 H new ATOM 0 HG22 VAL A 49 21.747 6.168 30.170 1.00 1.00 H new ATOM 0 HG23 VAL A 49 23.125 7.122 30.768 1.00 1.00 H new ATOM 718 N LEU A 50 19.946 8.406 34.236 1.00 1.00 N ATOM 719 CA LEU A 50 18.897 8.498 35.245 1.00 1.00 C ATOM 720 C LEU A 50 18.071 9.764 35.042 1.00 1.00 C ATOM 721 O LEU A 50 17.053 9.966 35.706 1.00 1.00 O ATOM 722 CB LEU A 50 19.514 8.508 36.646 1.00 1.00 C ATOM 723 CG LEU A 50 20.854 9.246 36.612 1.00 1.00 C ATOM 724 CD1 LEU A 50 21.085 9.944 37.953 1.00 1.00 C ATOM 725 CD2 LEU A 50 21.982 8.243 36.361 1.00 1.00 C ATOM 0 H LEU A 50 20.873 8.681 34.560 1.00 1.00 H new ATOM 0 HA LEU A 50 18.245 7.630 35.144 1.00 1.00 H new ATOM 0 HB2 LEU A 50 18.837 8.994 37.349 1.00 1.00 H new ATOM 0 HB3 LEU A 50 19.659 7.487 36.998 1.00 1.00 H new ATOM 0 HG LEU A 50 20.840 9.987 35.813 1.00 1.00 H new ATOM 0 HD11 LEU A 50 22.039 10.470 37.930 1.00 1.00 H new ATOM 0 HD12 LEU A 50 20.282 10.658 38.135 1.00 1.00 H new ATOM 0 HD13 LEU A 50 21.099 9.202 38.752 1.00 1.00 H new ATOM 0 HD21 LEU A 50 22.937 8.768 36.337 1.00 1.00 H new ATOM 0 HD22 LEU A 50 21.995 7.503 37.161 1.00 1.00 H new ATOM 0 HD23 LEU A 50 21.818 7.743 35.406 1.00 1.00 H new ATOM 737 N TRP A 51 18.514 10.610 34.120 1.00 1.00 N ATOM 738 CA TRP A 51 17.808 11.854 33.834 1.00 1.00 C ATOM 739 C TRP A 51 16.562 11.581 32.998 1.00 1.00 C ATOM 740 O TRP A 51 15.477 12.077 33.301 1.00 1.00 O ATOM 741 CB TRP A 51 18.730 12.817 33.085 1.00 1.00 C ATOM 742 CG TRP A 51 17.929 13.617 32.108 1.00 1.00 C ATOM 743 CD1 TRP A 51 17.596 13.213 30.861 1.00 1.00 C ATOM 744 CD2 TRP A 51 17.357 14.947 32.274 1.00 1.00 C ATOM 745 NE1 TRP A 51 16.857 14.210 30.250 1.00 1.00 N ATOM 746 CE2 TRP A 51 16.682 15.299 31.081 1.00 1.00 C ATOM 747 CE3 TRP A 51 17.357 15.872 33.334 1.00 1.00 C ATOM 748 CZ2 TRP A 51 16.031 16.525 30.943 1.00 1.00 C ATOM 749 CZ3 TRP A 51 16.703 17.108 33.198 1.00 1.00 C ATOM 750 CH2 TRP A 51 16.042 17.433 32.006 1.00 1.00 C ATOM 0 H TRP A 51 19.353 10.460 33.560 1.00 1.00 H new ATOM 0 HA TRP A 51 17.505 12.305 34.779 1.00 1.00 H new ATOM 0 HB2 TRP A 51 19.231 13.480 33.790 1.00 1.00 H new ATOM 0 HB3 TRP A 51 19.508 12.260 32.563 1.00 1.00 H new ATOM 0 HD1 TRP A 51 17.863 12.266 30.415 1.00 1.00 H new ATOM 0 HE1 TRP A 51 16.487 14.148 29.302 1.00 1.00 H new ATOM 0 HE3 TRP A 51 17.863 15.631 34.257 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 15.523 16.771 30.022 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 16.710 17.812 34.017 1.00 1.00 H new ATOM 0 HH2 TRP A 51 15.541 18.385 31.908 1.00 1.00 H new ATOM 761 N THR A 52 16.726 10.787 31.944 1.00 1.00 N ATOM 762 CA THR A 52 15.607 10.453 31.071 1.00 1.00 C ATOM 763 C THR A 52 14.436 9.915 31.886 1.00 1.00 C ATOM 764 O THR A 52 13.281 10.012 31.470 1.00 1.00 O ATOM 765 CB THR A 52 16.041 9.405 30.044 1.00 1.00 C ATOM 766 OG1 THR A 52 15.202 9.490 28.901 1.00 1.00 O ATOM 767 CG2 THR A 52 15.931 8.009 30.659 1.00 1.00 C ATOM 0 H THR A 52 17.616 10.366 31.676 1.00 1.00 H new ATOM 0 HA THR A 52 15.290 11.358 30.554 1.00 1.00 H new ATOM 0 HB THR A 52 17.075 9.589 29.751 1.00 1.00 H new ATOM 0 HG1 THR A 52 15.479 8.821 28.241 1.00 1.00 H new ATOM 0 HG21 THR A 52 16.240 7.263 29.927 1.00 1.00 H new ATOM 0 HG22 THR A 52 16.576 7.946 31.536 1.00 1.00 H new ATOM 0 HG23 THR A 52 14.898 7.822 30.954 1.00 1.00 H new ATOM 775 N VAL A 53 14.741 9.349 33.049 1.00 1.00 N ATOM 776 CA VAL A 53 13.706 8.799 33.916 1.00 1.00 C ATOM 777 C VAL A 53 12.823 9.913 34.470 1.00 1.00 C ATOM 778 O VAL A 53 11.785 10.238 33.895 1.00 1.00 O ATOM 779 CB VAL A 53 14.350 8.030 35.072 1.00 1.00 C ATOM 780 CG1 VAL A 53 13.260 7.508 36.010 1.00 1.00 C ATOM 781 CG2 VAL A 53 15.149 6.851 34.515 1.00 1.00 C ATOM 0 H VAL A 53 15.690 9.259 33.411 1.00 1.00 H new ATOM 0 HA VAL A 53 13.087 8.121 33.329 1.00 1.00 H new ATOM 0 HB VAL A 53 15.015 8.694 35.624 1.00 1.00 H new ATOM 0 HG11 VAL A 53 13.720 6.961 36.833 1.00 1.00 H new ATOM 0 HG12 VAL A 53 12.689 8.347 36.407 1.00 1.00 H new ATOM 0 HG13 VAL A 53 12.594 6.844 35.460 1.00 1.00 H new ATOM 0 HG21 VAL A 53 15.608 6.302 35.337 1.00 1.00 H new ATOM 0 HG22 VAL A 53 14.482 6.188 33.964 1.00 1.00 H new ATOM 0 HG23 VAL A 53 15.926 7.222 33.847 1.00 1.00 H new ATOM 791 N PHE A 54 13.243 10.494 35.590 1.00 1.00 N ATOM 792 CA PHE A 54 12.481 11.571 36.212 1.00 1.00 C ATOM 793 C PHE A 54 11.951 12.536 35.155 1.00 1.00 C ATOM 794 O PHE A 54 10.988 13.263 35.392 1.00 1.00 O ATOM 795 CB PHE A 54 13.365 12.331 37.202 1.00 1.00 C ATOM 796 CG PHE A 54 13.213 13.816 36.976 1.00 1.00 C ATOM 797 CD1 PHE A 54 12.094 14.490 37.479 1.00 1.00 C ATOM 798 CD2 PHE A 54 14.191 14.519 36.261 1.00 1.00 C ATOM 799 CE1 PHE A 54 11.953 15.867 37.267 1.00 1.00 C ATOM 800 CE2 PHE A 54 14.050 15.896 36.050 1.00 1.00 C ATOM 801 CZ PHE A 54 12.931 16.569 36.553 1.00 1.00 C ATOM 0 H PHE A 54 14.100 10.240 36.082 1.00 1.00 H new ATOM 0 HA PHE A 54 11.635 11.132 36.742 1.00 1.00 H new ATOM 0 HB2 PHE A 54 13.085 12.078 38.225 1.00 1.00 H new ATOM 0 HB3 PHE A 54 14.407 12.038 37.075 1.00 1.00 H new ATOM 0 HD1 PHE A 54 11.340 13.948 38.030 1.00 1.00 H new ATOM 0 HD2 PHE A 54 15.054 13.999 35.872 1.00 1.00 H new ATOM 0 HE1 PHE A 54 11.090 16.387 37.654 1.00 1.00 H new ATOM 0 HE2 PHE A 54 14.804 16.438 35.499 1.00 1.00 H new ATOM 0 HZ PHE A 54 12.822 17.631 36.390 1.00 1.00 H new ATOM 811 N ARG A 55 12.589 12.535 33.989 1.00 1.00 N ATOM 812 CA ARG A 55 12.175 13.414 32.902 1.00 1.00 C ATOM 813 C ARG A 55 10.936 12.856 32.208 1.00 1.00 C ATOM 814 O ARG A 55 9.835 13.382 32.366 1.00 1.00 O ATOM 815 CB ARG A 55 13.319 13.554 31.891 1.00 1.00 C ATOM 816 CG ARG A 55 12.956 14.596 30.827 1.00 1.00 C ATOM 817 CD ARG A 55 12.815 15.982 31.466 1.00 1.00 C ATOM 818 NE ARG A 55 11.423 16.237 31.819 1.00 1.00 N ATOM 819 CZ ARG A 55 11.098 17.175 32.701 1.00 1.00 C ATOM 820 NH1 ARG A 55 12.033 17.886 33.270 1.00 1.00 N ATOM 821 NH2 ARG A 55 9.845 17.387 32.996 1.00 1.00 N ATOM 0 H ARG A 55 13.389 11.940 33.774 1.00 1.00 H new ATOM 0 HA ARG A 55 11.931 14.393 33.314 1.00 1.00 H new ATOM 0 HB2 ARG A 55 14.234 13.850 32.404 1.00 1.00 H new ATOM 0 HB3 ARG A 55 13.516 12.592 31.417 1.00 1.00 H new ATOM 0 HG2 ARG A 55 13.725 14.621 30.055 1.00 1.00 H new ATOM 0 HG3 ARG A 55 12.023 14.317 30.338 1.00 1.00 H new ATOM 0 HD2 ARG A 55 13.441 16.045 32.356 1.00 1.00 H new ATOM 0 HD3 ARG A 55 13.168 16.747 30.774 1.00 1.00 H new ATOM 0 HE ARG A 55 10.686 15.685 31.381 1.00 1.00 H new ATOM 0 HH11 ARG A 55 13.012 17.721 33.037 1.00 1.00 H new ATOM 0 HH12 ARG A 55 11.784 18.607 33.948 1.00 1.00 H new ATOM 0 HH21 ARG A 55 9.115 16.832 32.549 1.00 1.00 H new ATOM 0 HH22 ARG A 55 9.595 18.107 33.674 1.00 1.00 H new ATOM 835 N LYS A 56 11.127 11.791 31.435 1.00 1.00 N ATOM 836 CA LYS A 56 10.019 11.171 30.718 1.00 1.00 C ATOM 837 C LYS A 56 8.903 10.780 31.682 1.00 1.00 C ATOM 838 O LYS A 56 7.748 10.632 31.283 1.00 1.00 O ATOM 839 CB LYS A 56 10.509 9.929 29.972 1.00 1.00 C ATOM 840 CG LYS A 56 10.676 8.772 30.958 1.00 1.00 C ATOM 841 CD LYS A 56 11.573 7.698 30.341 1.00 1.00 C ATOM 842 CE LYS A 56 11.453 6.405 31.148 1.00 1.00 C ATOM 843 NZ LYS A 56 10.047 5.916 31.097 1.00 1.00 N ATOM 0 H LYS A 56 12.032 11.343 31.290 1.00 1.00 H new ATOM 0 HA LYS A 56 9.627 11.894 30.003 1.00 1.00 H new ATOM 0 HB2 LYS A 56 9.798 9.656 29.192 1.00 1.00 H new ATOM 0 HB3 LYS A 56 11.458 10.139 29.478 1.00 1.00 H new ATOM 0 HG2 LYS A 56 11.113 9.134 31.889 1.00 1.00 H new ATOM 0 HG3 LYS A 56 9.703 8.349 31.206 1.00 1.00 H new ATOM 0 HD2 LYS A 56 11.285 7.520 29.305 1.00 1.00 H new ATOM 0 HD3 LYS A 56 12.609 8.037 30.330 1.00 1.00 H new ATOM 0 HE2 LYS A 56 12.127 5.649 30.746 1.00 1.00 H new ATOM 0 HE3 LYS A 56 11.751 6.580 32.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 10.034 4.883 31.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 9.496 6.362 31.858 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 9.628 6.160 30.177 1.00 1.00 H new ATOM 857 N LYS A 57 9.255 10.614 32.953 1.00 1.00 N ATOM 858 CA LYS A 57 8.273 10.239 33.964 1.00 1.00 C ATOM 859 C LYS A 57 7.339 11.409 34.262 1.00 1.00 C ATOM 860 O LYS A 57 7.003 11.668 35.418 1.00 1.00 O ATOM 861 CB LYS A 57 8.983 9.811 35.249 1.00 1.00 C ATOM 862 CG LYS A 57 9.874 8.600 34.962 1.00 1.00 C ATOM 863 CD LYS A 57 9.138 7.316 35.349 1.00 1.00 C ATOM 864 CE LYS A 57 9.245 7.097 36.859 1.00 1.00 C ATOM 865 NZ LYS A 57 7.968 6.521 37.370 1.00 1.00 N ATOM 0 H LYS A 57 10.205 10.732 33.305 1.00 1.00 H new ATOM 0 HA LYS A 57 7.684 9.406 33.581 1.00 1.00 H new ATOM 0 HB2 LYS A 57 9.584 10.634 35.636 1.00 1.00 H new ATOM 0 HB3 LYS A 57 8.250 9.563 36.016 1.00 1.00 H new ATOM 0 HG2 LYS A 57 10.140 8.574 33.905 1.00 1.00 H new ATOM 0 HG3 LYS A 57 10.805 8.680 35.523 1.00 1.00 H new ATOM 0 HD2 LYS A 57 8.091 7.383 35.055 1.00 1.00 H new ATOM 0 HD3 LYS A 57 9.565 6.466 34.817 1.00 1.00 H new ATOM 0 HE2 LYS A 57 10.074 6.425 37.082 1.00 1.00 H new ATOM 0 HE3 LYS A 57 9.456 8.042 37.360 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 8.041 6.372 38.397 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 7.186 7.177 37.170 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 7.785 5.611 36.900 1.00 1.00 H new ATOM 879 N GLY A 58 6.924 12.111 33.213 1.00 1.00 N ATOM 880 CA GLY A 58 6.028 13.249 33.376 1.00 1.00 C ATOM 881 C GLY A 58 5.200 13.476 32.116 1.00 1.00 C ATOM 882 O GLY A 58 5.287 14.529 31.484 1.00 1.00 O ATOM 0 H GLY A 58 7.191 11.914 32.249 1.00 1.00 H new ATOM 0 HA2 GLY A 58 5.366 13.077 34.225 1.00 1.00 H new ATOM 0 HA3 GLY A 58 6.608 14.144 33.601 1.00 1.00 H new ATOM 886 N HIS A 59 4.397 12.480 31.755 1.00 1.00 N ATOM 887 CA HIS A 59 3.558 12.581 30.567 1.00 1.00 C ATOM 888 C HIS A 59 2.132 12.967 30.948 1.00 1.00 C ATOM 889 O HIS A 59 1.649 14.037 30.582 1.00 1.00 O ATOM 890 CB HIS A 59 3.544 11.245 29.820 1.00 1.00 C ATOM 891 CG HIS A 59 4.675 11.213 28.830 1.00 1.00 C ATOM 892 ND1 HIS A 59 4.557 10.599 27.592 1.00 1.00 N ATOM 893 CD2 HIS A 59 5.953 11.714 28.879 1.00 1.00 C ATOM 894 CE1 HIS A 59 5.732 10.745 26.953 1.00 1.00 C ATOM 895 NE2 HIS A 59 6.618 11.417 27.693 1.00 1.00 N ATOM 0 H HIS A 59 4.310 11.600 32.264 1.00 1.00 H new ATOM 0 HA HIS A 59 3.971 13.354 29.920 1.00 1.00 H new ATOM 0 HB2 HIS A 59 3.641 10.420 30.526 1.00 1.00 H new ATOM 0 HB3 HIS A 59 2.592 11.114 29.305 1.00 1.00 H new ATOM 0 HD2 HIS A 59 6.377 12.256 29.711 1.00 1.00 H new ATOM 0 HE1 HIS A 59 5.934 10.365 25.962 1.00 1.00 H new ATOM 0 HE2 HIS A 59 7.576 11.660 27.443 1.00 1.00 H new ATOM 903 N HIS A 60 1.465 12.087 31.688 1.00 1.00 N ATOM 904 CA HIS A 60 0.094 12.345 32.115 1.00 1.00 C ATOM 905 C HIS A 60 -0.728 12.912 30.962 1.00 1.00 C ATOM 906 O HIS A 60 -0.292 12.898 29.811 1.00 1.00 O ATOM 907 CB HIS A 60 0.089 13.334 33.281 1.00 1.00 C ATOM 908 CG HIS A 60 -1.182 13.174 34.069 1.00 1.00 C ATOM 909 ND1 HIS A 60 -1.716 11.930 34.366 1.00 1.00 N ATOM 910 CD2 HIS A 60 -2.037 14.092 34.629 1.00 1.00 C ATOM 911 CE1 HIS A 60 -2.843 12.130 35.074 1.00 1.00 C ATOM 912 NE2 HIS A 60 -3.084 13.430 35.262 1.00 1.00 N ATOM 0 H HIS A 60 1.848 11.195 32.003 1.00 1.00 H new ATOM 0 HA HIS A 60 -0.351 11.403 32.435 1.00 1.00 H new ATOM 0 HB2 HIS A 60 0.952 13.160 33.923 1.00 1.00 H new ATOM 0 HB3 HIS A 60 0.171 14.354 32.907 1.00 1.00 H new ATOM 0 HD2 HIS A 60 -1.915 15.164 34.585 1.00 1.00 H new ATOM 0 HE1 HIS A 60 -3.475 11.336 35.445 1.00 1.00 H new ATOM 0 HE2 HIS A 60 -3.868 13.848 35.763 1.00 1.00 H new ATOM 920 N HIS A 61 -1.919 13.408 31.279 1.00 1.00 N ATOM 921 CA HIS A 61 -2.795 13.976 30.261 1.00 1.00 C ATOM 922 C HIS A 61 -3.531 15.195 30.807 1.00 1.00 C ATOM 923 O HIS A 61 -3.535 15.440 32.013 1.00 1.00 O ATOM 924 CB HIS A 61 -3.810 12.929 29.800 1.00 1.00 C ATOM 925 CG HIS A 61 -3.184 12.049 28.752 1.00 1.00 C ATOM 926 ND1 HIS A 61 -3.524 12.140 27.412 1.00 1.00 N ATOM 927 CD2 HIS A 61 -2.237 11.058 28.832 1.00 1.00 C ATOM 928 CE1 HIS A 61 -2.793 11.228 26.746 1.00 1.00 C ATOM 929 NE2 HIS A 61 -1.993 10.541 27.564 1.00 1.00 N ATOM 0 H HIS A 61 -2.298 13.428 32.226 1.00 1.00 H new ATOM 0 HA HIS A 61 -2.183 14.285 29.414 1.00 1.00 H new ATOM 0 HB2 HIS A 61 -4.137 12.327 30.647 1.00 1.00 H new ATOM 0 HB3 HIS A 61 -4.696 13.419 29.396 1.00 1.00 H new ATOM 0 HD2 HIS A 61 -1.755 10.730 29.741 1.00 1.00 H new ATOM 0 HE1 HIS A 61 -2.847 11.071 25.679 1.00 1.00 H new ATOM 0 HE2 HIS A 61 -1.342 9.797 27.313 1.00 1.00 H new ATOM 937 N HIS A 62 -4.152 15.956 29.911 1.00 1.00 N ATOM 938 CA HIS A 62 -4.889 17.147 30.315 1.00 1.00 C ATOM 939 C HIS A 62 -5.961 16.793 31.339 1.00 1.00 C ATOM 940 O HIS A 62 -6.221 15.618 31.600 1.00 1.00 O ATOM 941 CB HIS A 62 -5.541 17.797 29.093 1.00 1.00 C ATOM 942 CG HIS A 62 -4.905 19.135 28.836 1.00 1.00 C ATOM 943 ND1 HIS A 62 -5.283 20.278 29.523 1.00 1.00 N ATOM 944 CD2 HIS A 62 -3.914 19.529 27.972 1.00 1.00 C ATOM 945 CE1 HIS A 62 -4.531 21.295 29.063 1.00 1.00 C ATOM 946 NE2 HIS A 62 -3.679 20.893 28.117 1.00 1.00 N ATOM 0 H HIS A 62 -4.160 15.771 28.908 1.00 1.00 H new ATOM 0 HA HIS A 62 -4.188 17.848 30.769 1.00 1.00 H new ATOM 0 HB2 HIS A 62 -5.425 17.154 28.221 1.00 1.00 H new ATOM 0 HB3 HIS A 62 -6.611 17.918 29.260 1.00 1.00 H new ATOM 0 HD2 HIS A 62 -3.395 18.879 27.284 1.00 1.00 H new ATOM 0 HE1 HIS A 62 -4.607 22.313 29.416 1.00 1.00 H new ATOM 0 HE2 HIS A 62 -3.002 21.463 27.610 1.00 1.00 H new ATOM 954 N HIS A 63 -6.583 17.816 31.917 1.00 1.00 N ATOM 955 CA HIS A 63 -7.627 17.600 32.912 1.00 1.00 C ATOM 956 C HIS A 63 -8.744 16.735 32.337 1.00 1.00 C ATOM 957 O HIS A 63 -8.790 16.482 31.134 1.00 1.00 O ATOM 958 CB HIS A 63 -8.202 18.943 33.366 1.00 1.00 C ATOM 959 CG HIS A 63 -9.206 19.426 32.356 1.00 1.00 C ATOM 960 ND1 HIS A 63 -10.430 19.960 32.729 1.00 1.00 N ATOM 961 CD2 HIS A 63 -9.184 19.462 30.984 1.00 1.00 C ATOM 962 CE1 HIS A 63 -11.088 20.292 31.603 1.00 1.00 C ATOM 963 NE2 HIS A 63 -10.373 20.009 30.510 1.00 1.00 N ATOM 0 H HIS A 63 -6.384 18.796 31.715 1.00 1.00 H new ATOM 0 HA HIS A 63 -7.187 17.086 33.767 1.00 1.00 H new ATOM 0 HB2 HIS A 63 -8.675 18.837 34.342 1.00 1.00 H new ATOM 0 HB3 HIS A 63 -7.402 19.674 33.477 1.00 1.00 H new ATOM 0 HD2 HIS A 63 -8.368 19.118 30.366 1.00 1.00 H new ATOM 0 HE1 HIS A 63 -12.074 20.733 31.585 1.00 1.00 H new ATOM 0 HE2 HIS A 63 -10.641 20.161 29.538 1.00 1.00 H new ATOM 971 N HIS A 64 -9.643 16.284 33.206 1.00 1.00 N ATOM 972 CA HIS A 64 -10.757 15.448 32.774 1.00 1.00 C ATOM 973 C HIS A 64 -11.433 16.048 31.545 1.00 1.00 C ATOM 974 O HIS A 64 -12.405 16.763 31.718 1.00 1.00 O ATOM 975 CB HIS A 64 -11.777 15.311 33.905 1.00 1.00 C ATOM 976 CG HIS A 64 -13.060 14.747 33.357 1.00 1.00 C ATOM 977 ND1 HIS A 64 -13.146 13.457 32.858 1.00 1.00 N ATOM 978 CD2 HIS A 64 -14.316 15.285 33.225 1.00 1.00 C ATOM 979 CE1 HIS A 64 -14.414 13.263 32.452 1.00 1.00 C ATOM 980 NE2 HIS A 64 -15.169 14.346 32.652 1.00 1.00 N ATOM 981 OXT HIS A 64 -10.967 15.784 30.449 1.00 1.00 O ATOM 0 H HIS A 64 -9.623 16.482 34.206 1.00 1.00 H new ATOM 0 HA HIS A 64 -10.368 14.463 32.515 1.00 1.00 H new ATOM 0 HB2 HIS A 64 -11.385 14.659 34.686 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -11.961 16.283 34.363 1.00 1.00 H new ATOM 0 HD2 HIS A 64 -14.599 16.284 33.521 1.00 1.00 H new ATOM 0 HE1 HIS A 64 -14.777 12.343 32.017 1.00 1.00 H new ATOM 0 HE2 HIS A 64 -16.158 14.461 32.432 1.00 1.00 H new TER 989 HIS A 64