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 57 LYS NZ :NH3+ -159:sc= -1.01 (180deg=-1.86!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.236 X(o=-1.2,f=-0.92) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.0484 (180deg=-0.0493) USER MOD Single : A 9 ASN : amide:sc= -2.16 K(o=-2.2,f=-3.1!) 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= 0 X(o=0,f=-0.086) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 47:sc= 0.0205 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.119 USER MOD Single : A 27 SER OG : rot -62:sc= 0.919 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 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.83! C(o=-1.8!,f=-4!) 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 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.629 X(o=-0.63,f=-0.17) USER MOD Single : A 62 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.024) USER MOD Single : A 63 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-2!) USER MOD Single : A 64 HIS : no HE2:sc= 0.0419 K(o=0.042,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 51.789 -19.441 -14.480 1.00 1.00 N ATOM 2 CA MET A 1 51.099 -18.650 -15.538 1.00 1.00 C ATOM 3 C MET A 1 49.715 -18.246 -15.045 1.00 1.00 C ATOM 4 O MET A 1 49.071 -18.983 -14.297 1.00 1.00 O ATOM 5 CB MET A 1 50.975 -19.499 -16.805 1.00 1.00 C ATOM 6 CG MET A 1 52.304 -19.483 -17.564 1.00 1.00 C ATOM 7 SD MET A 1 52.439 -17.947 -18.511 1.00 1.00 S ATOM 8 CE MET A 1 53.638 -18.539 -19.732 1.00 1.00 C ATOM 0 H1 MET A 1 52.338 -20.207 -14.921 1.00 1.00 H new ATOM 0 H2 MET A 1 52.429 -18.820 -13.945 1.00 1.00 H new ATOM 0 H3 MET A 1 51.082 -19.849 -13.835 1.00 1.00 H new ATOM 0 HA MET A 1 51.675 -17.752 -15.763 1.00 1.00 H new ATOM 0 HB2 MET A 1 50.705 -20.522 -16.544 1.00 1.00 H new ATOM 0 HB3 MET A 1 50.178 -19.111 -17.439 1.00 1.00 H new ATOM 0 HG2 MET A 1 53.136 -19.566 -16.864 1.00 1.00 H new ATOM 0 HG3 MET A 1 52.364 -20.342 -18.233 1.00 1.00 H new ATOM 0 HE1 MET A 1 53.871 -17.737 -20.432 1.00 1.00 H new ATOM 0 HE2 MET A 1 54.550 -18.853 -19.224 1.00 1.00 H new ATOM 0 HE3 MET A 1 53.216 -19.384 -20.276 1.00 1.00 H new ATOM 20 N GLU A 2 49.261 -17.071 -15.469 1.00 1.00 N ATOM 21 CA GLU A 2 47.949 -16.578 -15.065 1.00 1.00 C ATOM 22 C GLU A 2 47.897 -16.373 -13.554 1.00 1.00 C ATOM 23 O GLU A 2 46.904 -16.705 -12.907 1.00 1.00 O ATOM 24 CB GLU A 2 46.865 -17.572 -15.485 1.00 1.00 C ATOM 25 CG GLU A 2 45.585 -16.813 -15.838 1.00 1.00 C ATOM 26 CD GLU A 2 45.256 -15.805 -14.742 1.00 1.00 C ATOM 27 OE1 GLU A 2 44.731 -16.218 -13.722 1.00 1.00 O ATOM 28 OE2 GLU A 2 45.537 -14.634 -14.939 1.00 1.00 O ATOM 0 H GLU A 2 49.778 -16.446 -16.088 1.00 1.00 H new ATOM 0 HA GLU A 2 47.773 -15.621 -15.557 1.00 1.00 H new ATOM 0 HB2 GLU A 2 47.203 -18.154 -16.342 1.00 1.00 H new ATOM 0 HB3 GLU A 2 46.671 -18.277 -14.677 1.00 1.00 H new ATOM 0 HG2 GLU A 2 45.709 -16.299 -16.791 1.00 1.00 H new ATOM 0 HG3 GLU A 2 44.759 -17.514 -15.959 1.00 1.00 H new ATOM 35 N GLU A 3 48.973 -15.824 -12.998 1.00 1.00 N ATOM 36 CA GLU A 3 49.039 -15.579 -11.563 1.00 1.00 C ATOM 37 C GLU A 3 47.714 -15.021 -11.053 1.00 1.00 C ATOM 38 O GLU A 3 46.967 -14.390 -11.801 1.00 1.00 O ATOM 39 CB GLU A 3 50.165 -14.591 -11.252 1.00 1.00 C ATOM 40 CG GLU A 3 51.465 -15.360 -11.008 1.00 1.00 C ATOM 41 CD GLU A 3 51.529 -15.832 -9.560 1.00 1.00 C ATOM 42 OE1 GLU A 3 50.506 -16.263 -9.053 1.00 1.00 O ATOM 43 OE2 GLU A 3 52.598 -15.755 -8.979 1.00 1.00 O ATOM 0 H GLU A 3 49.805 -15.542 -13.516 1.00 1.00 H new ATOM 0 HA GLU A 3 49.239 -16.526 -11.061 1.00 1.00 H new ATOM 0 HB2 GLU A 3 50.292 -13.895 -12.081 1.00 1.00 H new ATOM 0 HB3 GLU A 3 49.911 -13.998 -10.374 1.00 1.00 H new ATOM 0 HG2 GLU A 3 51.522 -16.216 -11.681 1.00 1.00 H new ATOM 0 HG3 GLU A 3 52.321 -14.723 -11.229 1.00 1.00 H new ATOM 50 N GLY A 4 47.430 -15.256 -9.776 1.00 1.00 N ATOM 51 CA GLY A 4 46.192 -14.771 -9.177 1.00 1.00 C ATOM 52 C GLY A 4 46.143 -15.097 -7.689 1.00 1.00 C ATOM 53 O GLY A 4 45.067 -15.271 -7.117 1.00 1.00 O ATOM 0 H GLY A 4 48.035 -15.775 -9.140 1.00 1.00 H new ATOM 0 HA2 GLY A 4 46.112 -13.693 -9.320 1.00 1.00 H new ATOM 0 HA3 GLY A 4 45.338 -15.224 -9.681 1.00 1.00 H new ATOM 57 N GLY A 5 47.315 -15.177 -7.067 1.00 1.00 N ATOM 58 CA GLY A 5 47.393 -15.484 -5.643 1.00 1.00 C ATOM 59 C GLY A 5 46.561 -14.499 -4.828 1.00 1.00 C ATOM 60 O GLY A 5 45.703 -13.802 -5.367 1.00 1.00 O ATOM 0 H GLY A 5 48.217 -15.035 -7.522 1.00 1.00 H new ATOM 0 HA2 GLY A 5 47.039 -16.499 -5.466 1.00 1.00 H new ATOM 0 HA3 GLY A 5 48.432 -15.447 -5.315 1.00 1.00 H new ATOM 64 N ASP A 6 46.821 -14.449 -3.525 1.00 1.00 N ATOM 65 CA ASP A 6 46.090 -13.546 -2.644 1.00 1.00 C ATOM 66 C ASP A 6 46.244 -12.103 -3.110 1.00 1.00 C ATOM 67 O ASP A 6 45.312 -11.304 -3.006 1.00 1.00 O ATOM 68 CB ASP A 6 46.610 -13.680 -1.212 1.00 1.00 C ATOM 69 CG ASP A 6 45.445 -13.638 -0.229 1.00 1.00 C ATOM 70 OD1 ASP A 6 44.552 -14.460 -0.363 1.00 1.00 O ATOM 71 OD2 ASP A 6 45.461 -12.785 0.644 1.00 1.00 O ATOM 0 H ASP A 6 47.527 -15.019 -3.059 1.00 1.00 H new ATOM 0 HA ASP A 6 45.034 -13.815 -2.674 1.00 1.00 H new ATOM 0 HB2 ASP A 6 47.157 -14.616 -1.101 1.00 1.00 H new ATOM 0 HB3 ASP A 6 47.310 -12.874 -0.994 1.00 1.00 H new ATOM 76 N PHE A 7 47.424 -11.775 -3.626 1.00 1.00 N ATOM 77 CA PHE A 7 47.688 -10.423 -4.105 1.00 1.00 C ATOM 78 C PHE A 7 48.499 -10.460 -5.396 1.00 1.00 C ATOM 79 O PHE A 7 48.490 -9.507 -6.176 1.00 1.00 O ATOM 80 CB PHE A 7 48.454 -9.632 -3.043 1.00 1.00 C ATOM 81 CG PHE A 7 49.894 -10.086 -3.018 1.00 1.00 C ATOM 82 CD1 PHE A 7 50.233 -11.303 -2.416 1.00 1.00 C ATOM 83 CD2 PHE A 7 50.889 -9.289 -3.597 1.00 1.00 C ATOM 84 CE1 PHE A 7 51.568 -11.724 -2.392 1.00 1.00 C ATOM 85 CE2 PHE A 7 52.224 -9.710 -3.573 1.00 1.00 C ATOM 86 CZ PHE A 7 52.563 -10.927 -2.971 1.00 1.00 C ATOM 0 H PHE A 7 48.207 -12.421 -3.723 1.00 1.00 H new ATOM 0 HA PHE A 7 46.733 -9.936 -4.303 1.00 1.00 H new ATOM 0 HB2 PHE A 7 48.402 -8.565 -3.261 1.00 1.00 H new ATOM 0 HB3 PHE A 7 47.998 -9.780 -2.064 1.00 1.00 H new ATOM 0 HD1 PHE A 7 49.465 -11.917 -1.970 1.00 1.00 H new ATOM 0 HD2 PHE A 7 50.627 -8.350 -4.062 1.00 1.00 H new ATOM 0 HE1 PHE A 7 51.830 -12.663 -1.927 1.00 1.00 H new ATOM 0 HE2 PHE A 7 52.992 -9.096 -4.019 1.00 1.00 H new ATOM 0 HZ PHE A 7 53.593 -11.252 -2.953 1.00 1.00 H new ATOM 96 N ASP A 8 49.198 -11.569 -5.618 1.00 1.00 N ATOM 97 CA ASP A 8 50.011 -11.720 -6.819 1.00 1.00 C ATOM 98 C ASP A 8 49.157 -11.544 -8.070 1.00 1.00 C ATOM 99 O ASP A 8 48.361 -12.416 -8.418 1.00 1.00 O ATOM 100 CB ASP A 8 50.665 -13.104 -6.837 1.00 1.00 C ATOM 101 CG ASP A 8 51.735 -13.161 -7.921 1.00 1.00 C ATOM 102 OD1 ASP A 8 51.433 -12.790 -9.043 1.00 1.00 O ATOM 103 OD2 ASP A 8 52.840 -13.576 -7.613 1.00 1.00 O ATOM 0 H ASP A 8 49.218 -12.370 -4.987 1.00 1.00 H new ATOM 0 HA ASP A 8 50.785 -10.952 -6.809 1.00 1.00 H new ATOM 0 HB2 ASP A 8 51.109 -13.318 -5.865 1.00 1.00 H new ATOM 0 HB3 ASP A 8 49.911 -13.869 -7.019 1.00 1.00 H new ATOM 108 N ASN A 9 49.328 -10.410 -8.743 1.00 1.00 N ATOM 109 CA ASN A 9 48.567 -10.129 -9.953 1.00 1.00 C ATOM 110 C ASN A 9 49.412 -10.404 -11.193 1.00 1.00 C ATOM 111 O ASN A 9 48.977 -11.099 -12.112 1.00 1.00 O ATOM 112 CB ASN A 9 48.111 -8.669 -9.958 1.00 1.00 C ATOM 113 CG ASN A 9 47.773 -8.224 -8.539 1.00 1.00 C ATOM 114 OD1 ASN A 9 46.939 -8.841 -7.876 1.00 1.00 O ATOM 115 ND2 ASN A 9 48.376 -7.184 -8.030 1.00 1.00 N ATOM 0 H ASN A 9 49.983 -9.676 -8.472 1.00 1.00 H new ATOM 0 HA ASN A 9 47.694 -10.781 -9.969 1.00 1.00 H new ATOM 0 HB2 ASN A 9 48.897 -8.035 -10.369 1.00 1.00 H new ATOM 0 HB3 ASN A 9 47.239 -8.554 -10.602 1.00 1.00 H new ATOM 0 HD21 ASN A 9 48.157 -6.881 -7.081 1.00 1.00 H new ATOM 0 HD22 ASN A 9 49.067 -6.674 -8.581 1.00 1.00 H new ATOM 122 N TYR A 10 50.622 -9.854 -11.212 1.00 1.00 N ATOM 123 CA TYR A 10 51.520 -10.046 -12.345 1.00 1.00 C ATOM 124 C TYR A 10 52.944 -10.300 -11.861 1.00 1.00 C ATOM 125 O TYR A 10 53.697 -11.051 -12.482 1.00 1.00 O ATOM 126 CB TYR A 10 51.497 -8.811 -13.246 1.00 1.00 C ATOM 127 CG TYR A 10 50.148 -8.140 -13.147 1.00 1.00 C ATOM 128 CD1 TYR A 10 49.032 -8.720 -13.763 1.00 1.00 C ATOM 129 CD2 TYR A 10 50.013 -6.940 -12.440 1.00 1.00 C ATOM 130 CE1 TYR A 10 47.781 -8.098 -13.670 1.00 1.00 C ATOM 131 CE2 TYR A 10 48.762 -6.318 -12.349 1.00 1.00 C ATOM 132 CZ TYR A 10 47.646 -6.897 -12.964 1.00 1.00 C ATOM 133 OH TYR A 10 46.413 -6.285 -12.872 1.00 1.00 O ATOM 0 H TYR A 10 51.001 -9.276 -10.462 1.00 1.00 H new ATOM 0 HA TYR A 10 51.180 -10.913 -12.911 1.00 1.00 H new ATOM 0 HB2 TYR A 10 52.283 -8.117 -12.949 1.00 1.00 H new ATOM 0 HB3 TYR A 10 51.698 -9.097 -14.278 1.00 1.00 H new ATOM 0 HD1 TYR A 10 49.136 -9.646 -14.309 1.00 1.00 H new ATOM 0 HD2 TYR A 10 50.874 -6.494 -11.965 1.00 1.00 H new ATOM 0 HE1 TYR A 10 46.920 -8.545 -14.143 1.00 1.00 H new ATOM 0 HE2 TYR A 10 48.658 -5.391 -11.804 1.00 1.00 H new ATOM 0 HH TYR A 10 46.495 -5.462 -12.347 1.00 1.00 H new ATOM 143 N TYR A 11 53.307 -9.668 -10.750 1.00 1.00 N ATOM 144 CA TYR A 11 54.644 -9.833 -10.192 1.00 1.00 C ATOM 145 C TYR A 11 55.697 -9.280 -11.148 1.00 1.00 C ATOM 146 O TYR A 11 55.998 -9.892 -12.174 1.00 1.00 O ATOM 147 CB TYR A 11 54.922 -11.313 -9.925 1.00 1.00 C ATOM 148 CG TYR A 11 56.025 -11.445 -8.903 1.00 1.00 C ATOM 149 CD1 TYR A 11 57.362 -11.473 -9.317 1.00 1.00 C ATOM 150 CD2 TYR A 11 55.711 -11.537 -7.543 1.00 1.00 C ATOM 151 CE1 TYR A 11 58.385 -11.594 -8.368 1.00 1.00 C ATOM 152 CE2 TYR A 11 56.734 -11.659 -6.594 1.00 1.00 C ATOM 153 CZ TYR A 11 58.071 -11.688 -7.007 1.00 1.00 C ATOM 154 OH TYR A 11 59.080 -11.807 -6.073 1.00 1.00 O ATOM 0 H TYR A 11 52.700 -9.042 -10.222 1.00 1.00 H new ATOM 0 HA TYR A 11 54.695 -9.280 -9.254 1.00 1.00 H new ATOM 0 HB2 TYR A 11 54.018 -11.804 -9.565 1.00 1.00 H new ATOM 0 HB3 TYR A 11 55.208 -11.812 -10.851 1.00 1.00 H new ATOM 0 HD1 TYR A 11 57.604 -11.401 -10.367 1.00 1.00 H new ATOM 0 HD2 TYR A 11 54.679 -11.514 -7.225 1.00 1.00 H new ATOM 0 HE1 TYR A 11 59.417 -11.615 -8.686 1.00 1.00 H new ATOM 0 HE2 TYR A 11 56.491 -11.731 -5.544 1.00 1.00 H new ATOM 0 HH TYR A 11 58.690 -11.860 -5.175 1.00 1.00 H new ATOM 164 N GLY A 12 56.251 -8.122 -10.806 1.00 1.00 N ATOM 165 CA GLY A 12 57.267 -7.497 -11.643 1.00 1.00 C ATOM 166 C GLY A 12 56.625 -6.728 -12.792 1.00 1.00 C ATOM 167 O GLY A 12 57.181 -5.746 -13.284 1.00 1.00 O ATOM 0 H GLY A 12 56.016 -7.601 -9.961 1.00 1.00 H new ATOM 0 HA2 GLY A 12 57.874 -6.821 -11.041 1.00 1.00 H new ATOM 0 HA3 GLY A 12 57.937 -8.260 -12.040 1.00 1.00 H new ATOM 171 N ALA A 13 55.452 -7.184 -13.217 1.00 1.00 N ATOM 172 CA ALA A 13 54.740 -6.533 -14.310 1.00 1.00 C ATOM 173 C ALA A 13 53.878 -5.390 -13.784 1.00 1.00 C ATOM 174 O ALA A 13 53.473 -4.507 -14.540 1.00 1.00 O ATOM 175 CB ALA A 13 53.857 -7.548 -15.037 1.00 1.00 C ATOM 0 H ALA A 13 54.977 -7.997 -12.824 1.00 1.00 H new ATOM 0 HA ALA A 13 55.475 -6.128 -15.006 1.00 1.00 H new ATOM 0 HB1 ALA A 13 53.329 -7.053 -15.852 1.00 1.00 H new ATOM 0 HB2 ALA A 13 54.478 -8.348 -15.440 1.00 1.00 H new ATOM 0 HB3 ALA A 13 53.134 -7.968 -14.338 1.00 1.00 H new ATOM 181 N ASP A 14 53.602 -5.412 -12.485 1.00 1.00 N ATOM 182 CA ASP A 14 52.787 -4.372 -11.869 1.00 1.00 C ATOM 183 C ASP A 14 53.430 -3.002 -12.065 1.00 1.00 C ATOM 184 O ASP A 14 52.790 -1.971 -11.856 1.00 1.00 O ATOM 185 CB ASP A 14 52.626 -4.651 -10.373 1.00 1.00 C ATOM 186 CG ASP A 14 51.607 -3.690 -9.771 1.00 1.00 C ATOM 187 OD1 ASP A 14 50.453 -3.761 -10.160 1.00 1.00 O ATOM 188 OD2 ASP A 14 51.995 -2.896 -8.929 1.00 1.00 O ATOM 0 H ASP A 14 53.928 -6.133 -11.842 1.00 1.00 H new ATOM 0 HA ASP A 14 51.807 -4.374 -12.347 1.00 1.00 H new ATOM 0 HB2 ASP A 14 52.303 -5.680 -10.219 1.00 1.00 H new ATOM 0 HB3 ASP A 14 53.586 -4.540 -9.868 1.00 1.00 H new ATOM 193 N ASN A 15 54.696 -3.000 -12.469 1.00 1.00 N ATOM 194 CA ASN A 15 55.414 -1.750 -12.691 1.00 1.00 C ATOM 195 C ASN A 15 54.692 -0.894 -13.726 1.00 1.00 C ATOM 196 O ASN A 15 54.661 0.333 -13.619 1.00 1.00 O ATOM 197 CB ASN A 15 56.836 -2.044 -13.172 1.00 1.00 C ATOM 198 CG ASN A 15 57.772 -0.914 -12.755 1.00 1.00 C ATOM 199 OD1 ASN A 15 57.981 -0.689 -11.563 1.00 1.00 O ATOM 200 ND2 ASN A 15 58.348 -0.185 -13.671 1.00 1.00 N ATOM 0 H ASN A 15 55.242 -3.842 -12.648 1.00 1.00 H new ATOM 0 HA ASN A 15 55.454 -1.203 -11.749 1.00 1.00 H new ATOM 0 HB2 ASN A 15 57.183 -2.988 -12.752 1.00 1.00 H new ATOM 0 HB3 ASN A 15 56.846 -2.154 -14.256 1.00 1.00 H new ATOM 0 HD21 ASN A 15 58.974 0.574 -13.400 1.00 1.00 H new ATOM 0 HD22 ASN A 15 58.173 -0.374 -14.658 1.00 1.00 H new ATOM 207 N GLN A 16 54.113 -1.548 -14.728 1.00 1.00 N ATOM 208 CA GLN A 16 53.393 -0.836 -15.777 1.00 1.00 C ATOM 209 C GLN A 16 51.888 -0.914 -15.543 1.00 1.00 C ATOM 210 O GLN A 16 51.113 -1.117 -16.478 1.00 1.00 O ATOM 211 CB GLN A 16 53.731 -1.437 -17.142 1.00 1.00 C ATOM 212 CG GLN A 16 55.239 -1.677 -17.236 1.00 1.00 C ATOM 213 CD GLN A 16 55.681 -1.651 -18.695 1.00 1.00 C ATOM 214 OE1 GLN A 16 55.226 -2.465 -19.498 1.00 1.00 O ATOM 215 NE2 GLN A 16 56.548 -0.758 -19.087 1.00 1.00 N ATOM 0 H GLN A 16 54.128 -2.562 -14.835 1.00 1.00 H new ATOM 0 HA GLN A 16 53.698 0.210 -15.755 1.00 1.00 H new ATOM 0 HB2 GLN A 16 53.194 -2.375 -17.281 1.00 1.00 H new ATOM 0 HB3 GLN A 16 53.409 -0.764 -17.937 1.00 1.00 H new ATOM 0 HG2 GLN A 16 55.773 -0.912 -16.672 1.00 1.00 H new ATOM 0 HG3 GLN A 16 55.491 -2.638 -16.788 1.00 1.00 H new ATOM 0 HE21 GLN A 16 56.924 -0.084 -18.419 1.00 1.00 H new ATOM 0 HE22 GLN A 16 56.850 -0.734 -20.061 1.00 1.00 H new ATOM 224 N SER A 17 51.479 -0.751 -14.288 1.00 1.00 N ATOM 225 CA SER A 17 50.064 -0.805 -13.943 1.00 1.00 C ATOM 226 C SER A 17 49.811 -0.111 -12.609 1.00 1.00 C ATOM 227 O SER A 17 50.699 -0.036 -11.759 1.00 1.00 O ATOM 228 CB SER A 17 49.603 -2.260 -13.859 1.00 1.00 C ATOM 229 OG SER A 17 48.768 -2.553 -14.971 1.00 1.00 O ATOM 0 H SER A 17 52.103 -0.582 -13.499 1.00 1.00 H new ATOM 0 HA SER A 17 49.500 -0.290 -14.720 1.00 1.00 H new ATOM 0 HB2 SER A 17 50.465 -2.927 -13.851 1.00 1.00 H new ATOM 0 HB3 SER A 17 49.061 -2.429 -12.928 1.00 1.00 H new ATOM 0 HG SER A 17 49.188 -2.221 -15.792 1.00 1.00 H new ATOM 235 N GLU A 18 48.595 0.395 -12.431 1.00 1.00 N ATOM 236 CA GLU A 18 48.236 1.081 -11.195 1.00 1.00 C ATOM 237 C GLU A 18 49.338 2.052 -10.782 1.00 1.00 C ATOM 238 O GLU A 18 49.664 2.170 -9.601 1.00 1.00 O ATOM 239 CB GLU A 18 48.006 0.062 -10.079 1.00 1.00 C ATOM 240 CG GLU A 18 47.041 0.646 -9.045 1.00 1.00 C ATOM 241 CD GLU A 18 46.972 -0.265 -7.824 1.00 1.00 C ATOM 242 OE1 GLU A 18 47.640 -1.286 -7.831 1.00 1.00 O ATOM 243 OE2 GLU A 18 46.251 0.071 -6.898 1.00 1.00 O ATOM 0 H GLU A 18 47.846 0.344 -13.122 1.00 1.00 H new ATOM 0 HA GLU A 18 47.318 1.643 -11.367 1.00 1.00 H new ATOM 0 HB2 GLU A 18 47.598 -0.860 -10.493 1.00 1.00 H new ATOM 0 HB3 GLU A 18 48.953 -0.193 -9.604 1.00 1.00 H new ATOM 0 HG2 GLU A 18 47.372 1.641 -8.748 1.00 1.00 H new ATOM 0 HG3 GLU A 18 46.049 0.757 -9.483 1.00 1.00 H new ATOM 250 N CYS A 19 49.903 2.746 -11.765 1.00 1.00 N ATOM 251 CA CYS A 19 50.967 3.711 -11.503 1.00 1.00 C ATOM 252 C CYS A 19 50.633 5.052 -12.148 1.00 1.00 C ATOM 253 O CYS A 19 51.144 5.380 -13.218 1.00 1.00 O ATOM 254 CB CYS A 19 52.294 3.190 -12.056 1.00 1.00 C ATOM 255 SG CYS A 19 53.192 2.317 -10.748 1.00 1.00 S ATOM 0 H CYS A 19 49.643 2.659 -12.748 1.00 1.00 H new ATOM 0 HA CYS A 19 51.056 3.848 -10.425 1.00 1.00 H new ATOM 0 HB2 CYS A 19 52.112 2.520 -12.896 1.00 1.00 H new ATOM 0 HB3 CYS A 19 52.894 4.019 -12.433 1.00 1.00 H new ATOM 0 HG CYS A 19 54.319 1.872 -11.218 1.00 1.00 H new ATOM 261 N GLU A 20 49.769 5.817 -11.490 1.00 1.00 N ATOM 262 CA GLU A 20 49.365 7.120 -12.007 1.00 1.00 C ATOM 263 C GLU A 20 48.771 6.978 -13.404 1.00 1.00 C ATOM 264 O GLU A 20 48.618 7.964 -14.126 1.00 1.00 O ATOM 265 CB GLU A 20 50.566 8.068 -12.049 1.00 1.00 C ATOM 266 CG GLU A 20 51.146 8.226 -10.641 1.00 1.00 C ATOM 267 CD GLU A 20 50.308 9.217 -9.840 1.00 1.00 C ATOM 268 OE1 GLU A 20 49.193 8.869 -9.486 1.00 1.00 O ATOM 269 OE2 GLU A 20 50.793 10.309 -9.594 1.00 1.00 O ATOM 0 H GLU A 20 49.337 5.560 -10.603 1.00 1.00 H new ATOM 0 HA GLU A 20 48.607 7.534 -11.342 1.00 1.00 H new ATOM 0 HB2 GLU A 20 51.327 7.677 -12.725 1.00 1.00 H new ATOM 0 HB3 GLU A 20 50.262 9.039 -12.439 1.00 1.00 H new ATOM 0 HG2 GLU A 20 51.164 7.260 -10.136 1.00 1.00 H new ATOM 0 HG3 GLU A 20 52.177 8.574 -10.700 1.00 1.00 H new ATOM 276 N TYR A 21 48.433 5.747 -13.774 1.00 1.00 N ATOM 277 CA TYR A 21 47.849 5.482 -15.083 1.00 1.00 C ATOM 278 C TYR A 21 46.359 5.196 -14.946 1.00 1.00 C ATOM 279 O TYR A 21 45.958 4.060 -14.694 1.00 1.00 O ATOM 280 CB TYR A 21 48.541 4.284 -15.738 1.00 1.00 C ATOM 281 CG TYR A 21 49.957 4.658 -16.108 1.00 1.00 C ATOM 282 CD1 TYR A 21 50.190 5.621 -17.097 1.00 1.00 C ATOM 283 CD2 TYR A 21 51.037 4.041 -15.465 1.00 1.00 C ATOM 284 CE1 TYR A 21 51.502 5.968 -17.441 1.00 1.00 C ATOM 285 CE2 TYR A 21 52.349 4.388 -15.809 1.00 1.00 C ATOM 286 CZ TYR A 21 52.582 5.351 -16.797 1.00 1.00 C ATOM 287 OH TYR A 21 53.875 5.694 -17.137 1.00 1.00 O ATOM 0 H TYR A 21 48.553 4.921 -13.188 1.00 1.00 H new ATOM 0 HA TYR A 21 47.989 6.363 -15.709 1.00 1.00 H new ATOM 0 HB2 TYR A 21 48.545 3.435 -15.055 1.00 1.00 H new ATOM 0 HB3 TYR A 21 47.991 3.975 -16.627 1.00 1.00 H new ATOM 0 HD1 TYR A 21 49.358 6.096 -17.595 1.00 1.00 H new ATOM 0 HD2 TYR A 21 50.858 3.297 -14.703 1.00 1.00 H new ATOM 0 HE1 TYR A 21 51.681 6.712 -18.203 1.00 1.00 H new ATOM 0 HE2 TYR A 21 53.181 3.912 -15.312 1.00 1.00 H new ATOM 0 HH TYR A 21 54.505 5.174 -16.595 1.00 1.00 H new ATOM 297 N THR A 22 45.546 6.235 -15.111 1.00 1.00 N ATOM 298 CA THR A 22 44.094 6.100 -15.001 1.00 1.00 C ATOM 299 C THR A 22 43.690 5.836 -13.551 1.00 1.00 C ATOM 300 O THR A 22 42.514 5.921 -13.200 1.00 1.00 O ATOM 301 CB THR A 22 43.589 4.977 -15.935 1.00 1.00 C ATOM 302 OG1 THR A 22 42.579 5.505 -16.783 1.00 1.00 O ATOM 303 CG2 THR A 22 43.006 3.797 -15.141 1.00 1.00 C ATOM 0 H THR A 22 45.866 7.180 -15.321 1.00 1.00 H new ATOM 0 HA THR A 22 43.629 7.035 -15.313 1.00 1.00 H new ATOM 0 HB THR A 22 44.435 4.610 -16.516 1.00 1.00 H new ATOM 0 HG1 THR A 22 42.253 4.801 -17.381 1.00 1.00 H new ATOM 0 HG21 THR A 22 42.662 3.028 -15.832 1.00 1.00 H new ATOM 0 HG22 THR A 22 43.775 3.381 -14.490 1.00 1.00 H new ATOM 0 HG23 THR A 22 42.167 4.144 -14.537 1.00 1.00 H new ATOM 311 N ASP A 23 44.674 5.524 -12.712 1.00 1.00 N ATOM 312 CA ASP A 23 44.407 5.256 -11.304 1.00 1.00 C ATOM 313 C ASP A 23 44.377 6.556 -10.508 1.00 1.00 C ATOM 314 O ASP A 23 44.671 6.569 -9.312 1.00 1.00 O ATOM 315 CB ASP A 23 45.483 4.330 -10.735 1.00 1.00 C ATOM 316 CG ASP A 23 46.865 4.822 -11.148 1.00 1.00 C ATOM 317 OD1 ASP A 23 47.372 5.721 -10.498 1.00 1.00 O ATOM 318 OD2 ASP A 23 47.398 4.291 -12.110 1.00 1.00 O ATOM 0 H ASP A 23 45.655 5.451 -12.980 1.00 1.00 H new ATOM 0 HA ASP A 23 43.434 4.772 -11.224 1.00 1.00 H new ATOM 0 HB2 ASP A 23 45.409 4.298 -9.648 1.00 1.00 H new ATOM 0 HB3 ASP A 23 45.327 3.313 -11.095 1.00 1.00 H new ATOM 323 N TRP A 24 44.022 7.647 -11.178 1.00 1.00 N ATOM 324 CA TRP A 24 43.958 8.948 -10.523 1.00 1.00 C ATOM 325 C TRP A 24 42.782 9.758 -11.055 1.00 1.00 C ATOM 326 O TRP A 24 41.817 10.017 -10.334 1.00 1.00 O ATOM 327 CB TRP A 24 45.259 9.717 -10.760 1.00 1.00 C ATOM 328 CG TRP A 24 45.632 9.632 -12.206 1.00 1.00 C ATOM 329 CD1 TRP A 24 46.061 8.513 -12.833 1.00 1.00 C ATOM 330 CD2 TRP A 24 45.615 10.686 -13.213 1.00 1.00 C ATOM 331 NE1 TRP A 24 46.309 8.812 -14.161 1.00 1.00 N ATOM 332 CE2 TRP A 24 46.050 10.138 -14.443 1.00 1.00 C ATOM 333 CE3 TRP A 24 45.269 12.049 -13.178 1.00 1.00 C ATOM 334 CZ2 TRP A 24 46.138 10.916 -15.598 1.00 1.00 C ATOM 335 CZ3 TRP A 24 45.357 12.833 -14.339 1.00 1.00 C ATOM 336 CH2 TRP A 24 45.791 12.269 -15.547 1.00 1.00 C ATOM 0 H TRP A 24 43.776 7.657 -12.168 1.00 1.00 H new ATOM 0 HA TRP A 24 43.820 8.789 -9.454 1.00 1.00 H new ATOM 0 HB2 TRP A 24 45.137 10.759 -10.466 1.00 1.00 H new ATOM 0 HB3 TRP A 24 46.056 9.303 -10.143 1.00 1.00 H new ATOM 0 HD1 TRP A 24 46.189 7.545 -12.372 1.00 1.00 H new ATOM 0 HE1 TRP A 24 46.642 8.135 -14.848 1.00 1.00 H new ATOM 0 HE3 TRP A 24 44.934 12.495 -12.253 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 46.472 10.475 -16.526 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 45.088 13.878 -14.301 1.00 1.00 H new ATOM 0 HH2 TRP A 24 45.857 12.879 -16.436 1.00 1.00 H new ATOM 347 N LYS A 25 42.867 10.156 -12.320 1.00 1.00 N ATOM 348 CA LYS A 25 41.801 10.938 -12.938 1.00 1.00 C ATOM 349 C LYS A 25 41.463 12.154 -12.082 1.00 1.00 C ATOM 350 O LYS A 25 40.467 12.835 -12.321 1.00 1.00 O ATOM 351 CB LYS A 25 40.552 10.072 -13.113 1.00 1.00 C ATOM 352 CG LYS A 25 40.773 9.081 -14.258 1.00 1.00 C ATOM 353 CD LYS A 25 40.307 9.709 -15.574 1.00 1.00 C ATOM 354 CE LYS A 25 41.059 9.066 -16.740 1.00 1.00 C ATOM 355 NZ LYS A 25 40.383 9.418 -18.021 1.00 1.00 N ATOM 0 H LYS A 25 43.656 9.952 -12.934 1.00 1.00 H new ATOM 0 HA LYS A 25 42.146 11.279 -13.914 1.00 1.00 H new ATOM 0 HB2 LYS A 25 40.337 9.535 -12.189 1.00 1.00 H new ATOM 0 HB3 LYS A 25 39.687 10.701 -13.324 1.00 1.00 H new ATOM 0 HG2 LYS A 25 41.828 8.814 -14.324 1.00 1.00 H new ATOM 0 HG3 LYS A 25 40.222 8.160 -14.067 1.00 1.00 H new ATOM 0 HD2 LYS A 25 39.233 9.567 -15.697 1.00 1.00 H new ATOM 0 HD3 LYS A 25 40.487 10.784 -15.560 1.00 1.00 H new ATOM 0 HE2 LYS A 25 42.093 9.411 -16.755 1.00 1.00 H new ATOM 0 HE3 LYS A 25 41.087 7.983 -16.616 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 40.894 8.981 -18.815 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 39.404 9.068 -18.005 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 40.379 10.451 -18.139 1.00 1.00 H new ATOM 369 N SER A 26 42.300 12.420 -11.085 1.00 1.00 N ATOM 370 CA SER A 26 42.081 13.557 -10.199 1.00 1.00 C ATOM 371 C SER A 26 43.099 13.557 -9.063 1.00 1.00 C ATOM 372 O SER A 26 44.075 14.306 -9.091 1.00 1.00 O ATOM 373 CB SER A 26 40.668 13.502 -9.619 1.00 1.00 C ATOM 374 OG SER A 26 40.297 12.145 -9.415 1.00 1.00 O ATOM 0 H SER A 26 43.131 11.868 -10.871 1.00 1.00 H new ATOM 0 HA SER A 26 42.201 14.472 -10.779 1.00 1.00 H new ATOM 0 HB2 SER A 26 40.628 14.048 -8.676 1.00 1.00 H new ATOM 0 HB3 SER A 26 39.965 13.985 -10.297 1.00 1.00 H new ATOM 0 HG SER A 26 39.392 12.106 -9.042 1.00 1.00 H new ATOM 380 N SER A 27 42.864 12.711 -8.065 1.00 1.00 N ATOM 381 CA SER A 27 43.768 12.621 -6.924 1.00 1.00 C ATOM 382 C SER A 27 43.761 13.924 -6.132 1.00 1.00 C ATOM 383 O SER A 27 44.418 14.036 -5.096 1.00 1.00 O ATOM 384 CB SER A 27 45.188 12.324 -7.407 1.00 1.00 C ATOM 385 OG SER A 27 45.955 13.520 -7.375 1.00 1.00 O ATOM 0 H SER A 27 42.062 12.083 -8.023 1.00 1.00 H new ATOM 0 HA SER A 27 43.428 11.813 -6.276 1.00 1.00 H new ATOM 0 HB2 SER A 27 45.649 11.566 -6.774 1.00 1.00 H new ATOM 0 HB3 SER A 27 45.163 11.921 -8.420 1.00 1.00 H new ATOM 0 HG SER A 27 45.566 14.175 -7.991 1.00 1.00 H new ATOM 391 N GLY A 28 43.013 14.906 -6.623 1.00 1.00 N ATOM 392 CA GLY A 28 42.927 16.198 -5.952 1.00 1.00 C ATOM 393 C GLY A 28 41.772 17.024 -6.507 1.00 1.00 C ATOM 394 O GLY A 28 41.773 18.252 -6.412 1.00 1.00 O ATOM 0 H GLY A 28 42.461 14.833 -7.478 1.00 1.00 H new ATOM 0 HA2 GLY A 28 42.790 16.048 -4.881 1.00 1.00 H new ATOM 0 HA3 GLY A 28 43.863 16.742 -6.080 1.00 1.00 H new ATOM 398 N ALA A 29 40.788 16.344 -7.086 1.00 1.00 N ATOM 399 CA ALA A 29 39.630 17.026 -7.653 1.00 1.00 C ATOM 400 C ALA A 29 38.436 16.930 -6.709 1.00 1.00 C ATOM 401 O ALA A 29 37.563 17.797 -6.708 1.00 1.00 O ATOM 402 CB ALA A 29 39.267 16.405 -9.003 1.00 1.00 C ATOM 0 H ALA A 29 40.768 15.328 -7.175 1.00 1.00 H new ATOM 0 HA ALA A 29 39.884 18.077 -7.793 1.00 1.00 H new ATOM 0 HB1 ALA A 29 38.401 16.920 -9.419 1.00 1.00 H new ATOM 0 HB2 ALA A 29 40.110 16.502 -9.687 1.00 1.00 H new ATOM 0 HB3 ALA A 29 39.030 15.350 -8.866 1.00 1.00 H new ATOM 408 N LEU A 30 38.406 15.870 -5.908 1.00 1.00 N ATOM 409 CA LEU A 30 37.313 15.671 -4.963 1.00 1.00 C ATOM 410 C LEU A 30 37.847 15.193 -3.616 1.00 1.00 C ATOM 411 O LEU A 30 37.077 14.914 -2.698 1.00 1.00 O ATOM 412 CB LEU A 30 36.321 14.644 -5.516 1.00 1.00 C ATOM 413 CG LEU A 30 37.041 13.321 -5.780 1.00 1.00 C ATOM 414 CD1 LEU A 30 36.695 12.321 -4.676 1.00 1.00 C ATOM 415 CD2 LEU A 30 36.593 12.760 -7.132 1.00 1.00 C ATOM 0 H LEU A 30 39.119 15.141 -5.894 1.00 1.00 H new ATOM 0 HA LEU A 30 36.805 16.625 -4.821 1.00 1.00 H new ATOM 0 HB2 LEU A 30 35.508 14.491 -4.806 1.00 1.00 H new ATOM 0 HB3 LEU A 30 35.874 15.016 -6.438 1.00 1.00 H new ATOM 0 HG LEU A 30 38.118 13.490 -5.792 1.00 1.00 H new ATOM 0 HD11 LEU A 30 37.209 11.378 -4.865 1.00 1.00 H new ATOM 0 HD12 LEU A 30 37.011 12.720 -3.712 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.618 12.151 -4.663 1.00 1.00 H new ATOM 0 HD21 LEU A 30 37.105 11.817 -7.322 1.00 1.00 H new ATOM 0 HD22 LEU A 30 35.516 12.592 -7.117 1.00 1.00 H new ATOM 0 HD23 LEU A 30 36.838 13.471 -7.920 1.00 1.00 H new ATOM 427 N ILE A 31 39.169 15.107 -3.503 1.00 1.00 N ATOM 428 CA ILE A 31 39.789 14.667 -2.258 1.00 1.00 C ATOM 429 C ILE A 31 39.748 15.770 -1.197 1.00 1.00 C ATOM 430 O ILE A 31 39.587 15.480 -0.011 1.00 1.00 O ATOM 431 CB ILE A 31 41.242 14.238 -2.500 1.00 1.00 C ATOM 432 CG1 ILE A 31 41.370 13.571 -3.878 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.669 13.251 -1.412 1.00 1.00 C ATOM 434 CD1 ILE A 31 40.397 12.390 -3.990 1.00 1.00 C ATOM 0 H ILE A 31 39.826 15.334 -4.250 1.00 1.00 H new ATOM 0 HA ILE A 31 39.219 13.813 -1.892 1.00 1.00 H new ATOM 0 HB ILE A 31 41.885 15.118 -2.469 1.00 1.00 H new ATOM 0 HG12 ILE A 31 41.162 14.298 -4.663 1.00 1.00 H new ATOM 0 HG13 ILE A 31 42.392 13.224 -4.028 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.701 12.945 -1.583 1.00 1.00 H new ATOM 0 HG22 ILE A 31 41.589 13.729 -0.436 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.022 12.375 -1.441 1.00 1.00 H new ATOM 0 HD11 ILE A 31 40.498 11.927 -4.971 1.00 1.00 H new ATOM 0 HD12 ILE A 31 40.625 11.656 -3.217 1.00 1.00 H new ATOM 0 HD13 ILE A 31 39.375 12.747 -3.861 1.00 1.00 H new ATOM 446 N PRO A 32 39.890 17.019 -1.582 1.00 1.00 N ATOM 447 CA PRO A 32 39.863 18.156 -0.613 1.00 1.00 C ATOM 448 C PRO A 32 38.528 18.247 0.122 1.00 1.00 C ATOM 449 O PRO A 32 38.352 19.083 1.009 1.00 1.00 O ATOM 450 CB PRO A 32 40.092 19.403 -1.477 1.00 1.00 C ATOM 451 CG PRO A 32 40.630 18.907 -2.778 1.00 1.00 C ATOM 452 CD PRO A 32 40.087 17.492 -2.960 1.00 1.00 C ATOM 0 HA PRO A 32 40.617 18.037 0.165 1.00 1.00 H new ATOM 0 HB2 PRO A 32 39.162 19.953 -1.623 1.00 1.00 H new ATOM 0 HB3 PRO A 32 40.794 20.086 -0.999 1.00 1.00 H new ATOM 0 HG2 PRO A 32 40.316 19.552 -3.599 1.00 1.00 H new ATOM 0 HG3 PRO A 32 41.720 18.907 -2.772 1.00 1.00 H new ATOM 0 HD2 PRO A 32 39.153 17.490 -3.522 1.00 1.00 H new ATOM 0 HD3 PRO A 32 40.788 16.860 -3.505 1.00 1.00 H new ATOM 460 N ALA A 33 37.589 17.384 -0.256 1.00 1.00 N ATOM 461 CA ALA A 33 36.272 17.376 0.371 1.00 1.00 C ATOM 462 C ALA A 33 36.146 16.210 1.345 1.00 1.00 C ATOM 463 O ALA A 33 36.230 16.392 2.560 1.00 1.00 O ATOM 464 CB ALA A 33 35.185 17.266 -0.701 1.00 1.00 C ATOM 0 H ALA A 33 37.715 16.686 -0.989 1.00 1.00 H new ATOM 0 HA ALA A 33 36.149 18.308 0.922 1.00 1.00 H new ATOM 0 HB1 ALA A 33 34.204 17.261 -0.225 1.00 1.00 H new ATOM 0 HB2 ALA A 33 35.255 18.117 -1.379 1.00 1.00 H new ATOM 0 HB3 ALA A 33 35.321 16.342 -1.263 1.00 1.00 H new ATOM 470 N ILE A 34 35.942 15.012 0.805 1.00 1.00 N ATOM 471 CA ILE A 34 35.803 13.824 1.641 1.00 1.00 C ATOM 472 C ILE A 34 36.819 13.844 2.779 1.00 1.00 C ATOM 473 O ILE A 34 36.450 13.908 3.951 1.00 1.00 O ATOM 474 CB ILE A 34 36.003 12.561 0.800 1.00 1.00 C ATOM 475 CG1 ILE A 34 36.827 12.897 -0.445 1.00 1.00 C ATOM 476 CG2 ILE A 34 34.641 12.011 0.374 1.00 1.00 C ATOM 477 CD1 ILE A 34 37.446 11.616 -1.009 1.00 1.00 C ATOM 0 H ILE A 34 35.870 14.839 -0.198 1.00 1.00 H new ATOM 0 HA ILE A 34 34.799 13.822 2.065 1.00 1.00 H new ATOM 0 HB ILE A 34 36.530 11.813 1.392 1.00 1.00 H new ATOM 0 HG12 ILE A 34 36.194 13.369 -1.196 1.00 1.00 H new ATOM 0 HG13 ILE A 34 37.610 13.612 -0.193 1.00 1.00 H new ATOM 0 HG21 ILE A 34 34.783 11.111 -0.225 1.00 1.00 H new ATOM 0 HG22 ILE A 34 34.053 11.768 1.259 1.00 1.00 H new ATOM 0 HG23 ILE A 34 34.114 12.761 -0.217 1.00 1.00 H new ATOM 0 HD11 ILE A 34 38.033 11.855 -1.896 1.00 1.00 H new ATOM 0 HD12 ILE A 34 38.092 11.163 -0.257 1.00 1.00 H new ATOM 0 HD13 ILE A 34 36.654 10.916 -1.276 1.00 1.00 H new ATOM 489 N TYR A 35 38.099 13.788 2.426 1.00 1.00 N ATOM 490 CA TYR A 35 39.159 13.799 3.429 1.00 1.00 C ATOM 491 C TYR A 35 38.981 14.973 4.386 1.00 1.00 C ATOM 492 O TYR A 35 39.101 14.817 5.601 1.00 1.00 O ATOM 493 CB TYR A 35 40.524 13.897 2.745 1.00 1.00 C ATOM 494 CG TYR A 35 41.294 15.060 3.323 1.00 1.00 C ATOM 495 CD1 TYR A 35 41.164 16.335 2.758 1.00 1.00 C ATOM 496 CD2 TYR A 35 42.138 14.865 4.422 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.879 17.414 3.293 1.00 1.00 C ATOM 498 CE2 TYR A 35 42.853 15.943 4.957 1.00 1.00 C ATOM 499 CZ TYR A 35 42.723 17.218 4.392 1.00 1.00 C ATOM 500 OH TYR A 35 43.428 18.281 4.920 1.00 1.00 O ATOM 0 H TYR A 35 38.426 13.735 1.461 1.00 1.00 H new ATOM 0 HA TYR A 35 39.104 12.871 3.998 1.00 1.00 H new ATOM 0 HB2 TYR A 35 41.081 12.971 2.887 1.00 1.00 H new ATOM 0 HB3 TYR A 35 40.396 14.030 1.671 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.513 16.486 1.910 1.00 1.00 H new ATOM 0 HD2 TYR A 35 42.238 13.882 4.858 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.779 18.397 2.857 1.00 1.00 H new ATOM 0 HE2 TYR A 35 43.505 15.792 5.805 1.00 1.00 H new ATOM 0 HH TYR A 35 43.965 17.972 5.679 1.00 1.00 H new ATOM 510 N MET A 36 38.695 16.145 3.832 1.00 1.00 N ATOM 511 CA MET A 36 38.505 17.338 4.650 1.00 1.00 C ATOM 512 C MET A 36 37.323 17.155 5.597 1.00 1.00 C ATOM 513 O MET A 36 37.339 17.647 6.726 1.00 1.00 O ATOM 514 CB MET A 36 38.261 18.554 3.755 1.00 1.00 C ATOM 515 CG MET A 36 37.874 19.756 4.618 1.00 1.00 C ATOM 516 SD MET A 36 38.103 21.280 3.669 1.00 1.00 S ATOM 517 CE MET A 36 36.378 21.495 3.168 1.00 1.00 C ATOM 0 H MET A 36 38.590 16.295 2.829 1.00 1.00 H new ATOM 0 HA MET A 36 39.408 17.498 5.240 1.00 1.00 H new ATOM 0 HB2 MET A 36 39.158 18.781 3.179 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.469 18.338 3.038 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.836 19.667 4.939 1.00 1.00 H new ATOM 0 HG3 MET A 36 38.485 19.781 5.520 1.00 1.00 H new ATOM 0 HE1 MET A 36 36.285 22.395 2.560 1.00 1.00 H new ATOM 0 HE2 MET A 36 36.057 20.630 2.587 1.00 1.00 H new ATOM 0 HE3 MET A 36 35.751 21.590 4.054 1.00 1.00 H new ATOM 527 N LEU A 37 36.301 16.446 5.132 1.00 1.00 N ATOM 528 CA LEU A 37 35.117 16.205 5.950 1.00 1.00 C ATOM 529 C LEU A 37 35.411 15.162 7.022 1.00 1.00 C ATOM 530 O LEU A 37 34.566 14.320 7.330 1.00 1.00 O ATOM 531 CB LEU A 37 33.961 15.722 5.070 1.00 1.00 C ATOM 532 CG LEU A 37 33.446 16.884 4.219 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.877 16.343 2.907 1.00 1.00 C ATOM 534 CD2 LEU A 37 32.345 17.626 4.983 1.00 1.00 C ATOM 0 H LEU A 37 36.267 16.031 4.201 1.00 1.00 H new ATOM 0 HA LEU A 37 34.838 17.141 6.434 1.00 1.00 H new ATOM 0 HB2 LEU A 37 34.295 14.907 4.428 1.00 1.00 H new ATOM 0 HB3 LEU A 37 33.157 15.328 5.692 1.00 1.00 H new ATOM 0 HG LEU A 37 34.267 17.569 4.005 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.510 17.171 2.301 1.00 1.00 H new ATOM 0 HD12 LEU A 37 33.659 15.813 2.363 1.00 1.00 H new ATOM 0 HD13 LEU A 37 32.056 15.659 3.121 1.00 1.00 H new ATOM 0 HD21 LEU A 37 31.977 18.454 4.378 1.00 1.00 H new ATOM 0 HD22 LEU A 37 31.525 16.940 5.197 1.00 1.00 H new ATOM 0 HD23 LEU A 37 32.748 18.012 5.919 1.00 1.00 H new ATOM 546 N VAL A 38 36.612 15.223 7.588 1.00 1.00 N ATOM 547 CA VAL A 38 37.005 14.279 8.627 1.00 1.00 C ATOM 548 C VAL A 38 37.725 15.000 9.761 1.00 1.00 C ATOM 549 O VAL A 38 37.568 14.650 10.930 1.00 1.00 O ATOM 550 CB VAL A 38 37.922 13.205 8.041 1.00 1.00 C ATOM 551 CG1 VAL A 38 38.313 12.213 9.139 1.00 1.00 C ATOM 552 CG2 VAL A 38 37.187 12.463 6.923 1.00 1.00 C ATOM 0 H VAL A 38 37.325 15.911 7.347 1.00 1.00 H new ATOM 0 HA VAL A 38 36.104 13.810 9.022 1.00 1.00 H new ATOM 0 HB VAL A 38 38.820 13.674 7.638 1.00 1.00 H new ATOM 0 HG11 VAL A 38 38.967 11.447 8.722 1.00 1.00 H new ATOM 0 HG12 VAL A 38 38.836 12.741 9.937 1.00 1.00 H new ATOM 0 HG13 VAL A 38 37.415 11.744 9.542 1.00 1.00 H new ATOM 0 HG21 VAL A 38 37.840 11.697 6.504 1.00 1.00 H new ATOM 0 HG22 VAL A 38 36.289 11.994 7.326 1.00 1.00 H new ATOM 0 HG23 VAL A 38 36.907 13.169 6.141 1.00 1.00 H new ATOM 562 N PHE A 39 38.512 16.012 9.408 1.00 1.00 N ATOM 563 CA PHE A 39 39.247 16.778 10.409 1.00 1.00 C ATOM 564 C PHE A 39 38.278 17.490 11.345 1.00 1.00 C ATOM 565 O PHE A 39 38.633 17.848 12.469 1.00 1.00 O ATOM 566 CB PHE A 39 40.149 17.806 9.723 1.00 1.00 C ATOM 567 CG PHE A 39 40.447 18.934 10.683 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.081 18.663 11.901 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.091 20.248 10.356 1.00 1.00 C ATOM 570 CE1 PHE A 39 41.358 19.707 12.793 1.00 1.00 C ATOM 571 CE2 PHE A 39 40.368 21.290 11.247 1.00 1.00 C ATOM 572 CZ PHE A 39 41.002 21.020 12.466 1.00 1.00 C ATOM 0 H PHE A 39 38.657 16.319 8.446 1.00 1.00 H new ATOM 0 HA PHE A 39 39.862 16.091 10.991 1.00 1.00 H new ATOM 0 HB2 PHE A 39 41.077 17.334 9.401 1.00 1.00 H new ATOM 0 HB3 PHE A 39 39.661 18.194 8.829 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.356 17.650 12.153 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.602 20.457 9.416 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.846 19.498 13.733 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.093 22.303 10.995 1.00 1.00 H new ATOM 0 HZ PHE A 39 41.216 21.825 13.153 1.00 1.00 H new ATOM 582 N LEU A 40 37.054 17.689 10.871 1.00 1.00 N ATOM 583 CA LEU A 40 36.032 18.357 11.668 1.00 1.00 C ATOM 584 C LEU A 40 34.708 17.608 11.562 1.00 1.00 C ATOM 585 O LEU A 40 33.685 18.055 12.080 1.00 1.00 O ATOM 586 CB LEU A 40 35.848 19.796 11.180 1.00 1.00 C ATOM 587 CG LEU A 40 35.386 19.785 9.722 1.00 1.00 C ATOM 588 CD1 LEU A 40 33.950 20.302 9.636 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.303 20.687 8.891 1.00 1.00 C ATOM 0 H LEU A 40 36.746 17.399 9.943 1.00 1.00 H new ATOM 0 HA LEU A 40 36.352 18.367 12.710 1.00 1.00 H new ATOM 0 HB2 LEU A 40 35.115 20.311 11.801 1.00 1.00 H new ATOM 0 HB3 LEU A 40 36.785 20.345 11.272 1.00 1.00 H new ATOM 0 HG LEU A 40 35.428 18.767 9.336 1.00 1.00 H new ATOM 0 HD11 LEU A 40 33.622 20.294 8.597 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.297 19.661 10.228 1.00 1.00 H new ATOM 0 HD13 LEU A 40 33.906 21.320 10.022 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.975 20.680 7.851 1.00 1.00 H new ATOM 0 HD22 LEU A 40 36.260 21.705 9.278 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.327 20.319 8.951 1.00 1.00 H new ATOM 601 N LEU A 41 34.738 16.466 10.883 1.00 1.00 N ATOM 602 CA LEU A 41 33.539 15.657 10.708 1.00 1.00 C ATOM 603 C LEU A 41 33.909 14.188 10.532 1.00 1.00 C ATOM 604 O LEU A 41 33.754 13.624 9.449 1.00 1.00 O ATOM 605 CB LEU A 41 32.760 16.144 9.484 1.00 1.00 C ATOM 606 CG LEU A 41 31.360 15.527 9.487 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.405 16.429 10.271 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.862 15.392 8.046 1.00 1.00 C ATOM 0 H LEU A 41 35.576 16.082 10.447 1.00 1.00 H new ATOM 0 HA LEU A 41 32.917 15.757 11.597 1.00 1.00 H new ATOM 0 HB2 LEU A 41 32.689 17.232 9.495 1.00 1.00 H new ATOM 0 HB3 LEU A 41 33.288 15.868 8.571 1.00 1.00 H new ATOM 0 HG LEU A 41 31.398 14.544 9.955 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.408 15.989 10.273 1.00 1.00 H new ATOM 0 HD12 LEU A 41 30.759 16.529 11.297 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.367 17.413 9.803 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.865 14.953 8.045 1.00 1.00 H new ATOM 0 HD22 LEU A 41 30.825 16.377 7.580 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.541 14.750 7.485 1.00 1.00 H new ATOM 620 N GLY A 42 34.401 13.575 11.604 1.00 1.00 N ATOM 621 CA GLY A 42 34.792 12.170 11.559 1.00 1.00 C ATOM 622 C GLY A 42 35.599 11.789 12.796 1.00 1.00 C ATOM 623 O GLY A 42 35.665 10.618 13.167 1.00 1.00 O ATOM 0 H GLY A 42 34.538 14.025 12.509 1.00 1.00 H new ATOM 0 HA2 GLY A 42 33.903 11.543 11.493 1.00 1.00 H new ATOM 0 HA3 GLY A 42 35.383 11.981 10.662 1.00 1.00 H new ATOM 627 N THR A 43 36.211 12.787 13.428 1.00 1.00 N ATOM 628 CA THR A 43 37.013 12.552 14.624 1.00 1.00 C ATOM 629 C THR A 43 36.620 13.527 15.729 1.00 1.00 C ATOM 630 O THR A 43 36.455 13.137 16.885 1.00 1.00 O ATOM 631 CB THR A 43 38.498 12.719 14.299 1.00 1.00 C ATOM 632 OG1 THR A 43 39.269 12.462 15.465 1.00 1.00 O ATOM 633 CG2 THR A 43 38.757 14.147 13.817 1.00 1.00 C ATOM 0 H THR A 43 36.167 13.762 13.133 1.00 1.00 H new ATOM 0 HA THR A 43 36.830 11.534 14.968 1.00 1.00 H new ATOM 0 HB THR A 43 38.781 12.016 13.515 1.00 1.00 H new ATOM 0 HG1 THR A 43 40.221 12.567 15.257 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.815 14.266 13.585 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.165 14.342 12.923 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.475 14.852 14.599 1.00 1.00 H new ATOM 641 N THR A 44 36.467 14.797 15.364 1.00 1.00 N ATOM 642 CA THR A 44 36.088 15.817 16.334 1.00 1.00 C ATOM 643 C THR A 44 34.838 15.382 17.089 1.00 1.00 C ATOM 644 O THR A 44 34.453 15.996 18.084 1.00 1.00 O ATOM 645 CB THR A 44 35.825 17.146 15.619 1.00 1.00 C ATOM 646 OG1 THR A 44 36.063 18.219 16.519 1.00 1.00 O ATOM 647 CG2 THR A 44 34.375 17.196 15.134 1.00 1.00 C ATOM 0 H THR A 44 36.598 15.141 14.413 1.00 1.00 H new ATOM 0 HA THR A 44 36.904 15.948 17.044 1.00 1.00 H new ATOM 0 HB THR A 44 36.492 17.233 14.761 1.00 1.00 H new ATOM 0 HG1 THR A 44 35.897 19.071 16.064 1.00 1.00 H new ATOM 0 HG21 THR A 44 34.194 18.143 14.626 1.00 1.00 H new ATOM 0 HG22 THR A 44 34.194 16.373 14.442 1.00 1.00 H new ATOM 0 HG23 THR A 44 33.703 17.107 15.987 1.00 1.00 H new ATOM 655 N GLY A 45 34.212 14.315 16.603 1.00 1.00 N ATOM 656 CA GLY A 45 33.004 13.791 17.226 1.00 1.00 C ATOM 657 C GLY A 45 31.801 13.979 16.315 1.00 1.00 C ATOM 658 O GLY A 45 30.767 14.499 16.732 1.00 1.00 O ATOM 0 H GLY A 45 34.522 13.797 15.780 1.00 1.00 H new ATOM 0 HA2 GLY A 45 33.135 12.732 17.449 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.830 14.298 18.175 1.00 1.00 H new ATOM 662 N ASN A 46 31.950 13.548 15.069 1.00 1.00 N ATOM 663 CA ASN A 46 30.876 13.663 14.092 1.00 1.00 C ATOM 664 C ASN A 46 29.602 13.008 14.615 1.00 1.00 C ATOM 665 O ASN A 46 29.290 11.868 14.268 1.00 1.00 O ATOM 666 CB ASN A 46 31.302 12.991 12.789 1.00 1.00 C ATOM 667 CG ASN A 46 30.081 12.718 11.917 1.00 1.00 C ATOM 668 OD1 ASN A 46 29.045 13.362 12.079 1.00 1.00 O ATOM 669 ND2 ASN A 46 30.140 11.794 10.998 1.00 1.00 N ATOM 0 H ASN A 46 32.802 13.116 14.712 1.00 1.00 H new ATOM 0 HA ASN A 46 30.674 14.719 13.914 1.00 1.00 H new ATOM 0 HB2 ASN A 46 32.005 13.630 12.254 1.00 1.00 H new ATOM 0 HB3 ASN A 46 31.821 12.057 13.005 1.00 1.00 H new ATOM 0 HD21 ASN A 46 29.327 11.604 10.412 1.00 1.00 H new ATOM 0 HD22 ASN A 46 31.000 11.261 10.865 1.00 1.00 H new ATOM 676 N GLY A 47 28.870 13.735 15.451 1.00 1.00 N ATOM 677 CA GLY A 47 27.631 13.215 16.017 1.00 1.00 C ATOM 678 C GLY A 47 27.375 13.802 17.400 1.00 1.00 C ATOM 679 O GLY A 47 26.268 13.708 17.930 1.00 1.00 O ATOM 0 H GLY A 47 29.111 14.680 15.750 1.00 1.00 H new ATOM 0 HA2 GLY A 47 26.797 13.453 15.357 1.00 1.00 H new ATOM 0 HA3 GLY A 47 27.685 12.128 16.083 1.00 1.00 H new ATOM 683 N LEU A 48 28.407 14.406 17.982 1.00 1.00 N ATOM 684 CA LEU A 48 28.282 15.004 19.306 1.00 1.00 C ATOM 685 C LEU A 48 27.868 16.467 19.194 1.00 1.00 C ATOM 686 O LEU A 48 27.313 17.039 20.132 1.00 1.00 O ATOM 687 CB LEU A 48 29.617 14.904 20.052 1.00 1.00 C ATOM 688 CG LEU A 48 29.792 13.491 20.624 1.00 1.00 C ATOM 689 CD1 LEU A 48 28.800 13.248 21.769 1.00 1.00 C ATOM 690 CD2 LEU A 48 29.547 12.464 19.517 1.00 1.00 C ATOM 0 H LEU A 48 29.332 14.494 17.561 1.00 1.00 H new ATOM 0 HA LEU A 48 27.515 14.462 19.860 1.00 1.00 H new ATOM 0 HB2 LEU A 48 30.440 15.136 19.376 1.00 1.00 H new ATOM 0 HB3 LEU A 48 29.649 15.638 20.857 1.00 1.00 H new ATOM 0 HG LEU A 48 30.806 13.391 21.010 1.00 1.00 H new ATOM 0 HD11 LEU A 48 28.938 12.241 22.163 1.00 1.00 H new ATOM 0 HD12 LEU A 48 28.975 13.975 22.562 1.00 1.00 H new ATOM 0 HD13 LEU A 48 27.781 13.355 21.397 1.00 1.00 H new ATOM 0 HD21 LEU A 48 29.670 11.459 19.920 1.00 1.00 H new ATOM 0 HD22 LEU A 48 28.534 12.579 19.132 1.00 1.00 H new ATOM 0 HD23 LEU A 48 30.262 12.622 18.710 1.00 1.00 H new ATOM 702 N VAL A 49 28.144 17.069 18.041 1.00 1.00 N ATOM 703 CA VAL A 49 27.797 18.468 17.818 1.00 1.00 C ATOM 704 C VAL A 49 26.434 18.580 17.143 1.00 1.00 C ATOM 705 O VAL A 49 26.112 19.606 16.543 1.00 1.00 O ATOM 706 CB VAL A 49 28.858 19.137 16.943 1.00 1.00 C ATOM 707 CG1 VAL A 49 30.168 19.248 17.725 1.00 1.00 C ATOM 708 CG2 VAL A 49 29.086 18.294 15.685 1.00 1.00 C ATOM 0 H VAL A 49 28.603 16.614 17.252 1.00 1.00 H new ATOM 0 HA VAL A 49 27.754 18.971 18.784 1.00 1.00 H new ATOM 0 HB VAL A 49 28.519 20.133 16.658 1.00 1.00 H new ATOM 0 HG11 VAL A 49 30.925 19.725 17.102 1.00 1.00 H new ATOM 0 HG12 VAL A 49 30.007 19.846 18.622 1.00 1.00 H new ATOM 0 HG13 VAL A 49 30.507 18.252 18.010 1.00 1.00 H new ATOM 0 HG21 VAL A 49 29.842 18.770 15.060 1.00 1.00 H new ATOM 0 HG22 VAL A 49 29.425 17.298 15.971 1.00 1.00 H new ATOM 0 HG23 VAL A 49 28.153 18.213 15.127 1.00 1.00 H new ATOM 718 N LEU A 50 25.638 17.519 17.247 1.00 1.00 N ATOM 719 CA LEU A 50 24.309 17.506 16.644 1.00 1.00 C ATOM 720 C LEU A 50 23.273 17.003 17.643 1.00 1.00 C ATOM 721 O LEU A 50 22.081 16.944 17.339 1.00 1.00 O ATOM 722 CB LEU A 50 24.306 16.606 15.407 1.00 1.00 C ATOM 723 CG LEU A 50 25.317 17.133 14.386 1.00 1.00 C ATOM 724 CD1 LEU A 50 26.506 16.174 14.303 1.00 1.00 C ATOM 725 CD2 LEU A 50 24.647 17.232 13.013 1.00 1.00 C ATOM 0 H LEU A 50 25.888 16.662 17.740 1.00 1.00 H new ATOM 0 HA LEU A 50 24.052 18.525 16.353 1.00 1.00 H new ATOM 0 HB2 LEU A 50 24.557 15.583 15.688 1.00 1.00 H new ATOM 0 HB3 LEU A 50 23.309 16.580 14.967 1.00 1.00 H new ATOM 0 HG LEU A 50 25.666 18.118 14.695 1.00 1.00 H new ATOM 0 HD11 LEU A 50 27.226 16.549 13.576 1.00 1.00 H new ATOM 0 HD12 LEU A 50 26.983 16.100 15.281 1.00 1.00 H new ATOM 0 HD13 LEU A 50 26.158 15.189 13.993 1.00 1.00 H new ATOM 0 HD21 LEU A 50 25.365 17.607 12.284 1.00 1.00 H new ATOM 0 HD22 LEU A 50 24.300 16.246 12.706 1.00 1.00 H new ATOM 0 HD23 LEU A 50 23.799 17.914 13.071 1.00 1.00 H new ATOM 737 N TRP A 51 23.735 16.640 18.836 1.00 1.00 N ATOM 738 CA TRP A 51 22.838 16.142 19.872 1.00 1.00 C ATOM 739 C TRP A 51 22.554 17.230 20.903 1.00 1.00 C ATOM 740 O TRP A 51 21.405 17.622 21.107 1.00 1.00 O ATOM 741 CB TRP A 51 23.463 14.928 20.563 1.00 1.00 C ATOM 742 CG TRP A 51 23.378 15.095 22.047 1.00 1.00 C ATOM 743 CD1 TRP A 51 22.234 15.065 22.769 1.00 1.00 C ATOM 744 CD2 TRP A 51 24.458 15.315 22.999 1.00 1.00 C ATOM 745 NE1 TRP A 51 22.543 15.253 24.103 1.00 1.00 N ATOM 746 CE2 TRP A 51 23.901 15.411 24.297 1.00 1.00 C ATOM 747 CE3 TRP A 51 25.853 15.439 22.866 1.00 1.00 C ATOM 748 CZ2 TRP A 51 24.699 15.624 25.422 1.00 1.00 C ATOM 749 CZ3 TRP A 51 26.659 15.652 23.996 1.00 1.00 C ATOM 750 CH2 TRP A 51 26.083 15.745 25.271 1.00 1.00 C ATOM 0 H TRP A 51 24.717 16.681 19.107 1.00 1.00 H new ATOM 0 HA TRP A 51 21.898 15.849 19.404 1.00 1.00 H new ATOM 0 HB2 TRP A 51 22.946 14.018 20.259 1.00 1.00 H new ATOM 0 HB3 TRP A 51 24.504 14.820 20.258 1.00 1.00 H new ATOM 0 HD1 TRP A 51 21.242 14.918 22.368 1.00 1.00 H new ATOM 0 HE1 TRP A 51 21.852 15.273 24.853 1.00 1.00 H new ATOM 0 HE3 TRP A 51 26.307 15.370 21.888 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 24.250 15.695 26.402 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 27.729 15.745 23.882 1.00 1.00 H new ATOM 0 HH2 TRP A 51 26.709 15.910 26.136 1.00 1.00 H new ATOM 761 N THR A 52 23.610 17.714 21.550 1.00 1.00 N ATOM 762 CA THR A 52 23.462 18.759 22.557 1.00 1.00 C ATOM 763 C THR A 52 23.280 20.120 21.895 1.00 1.00 C ATOM 764 O THR A 52 22.562 20.979 22.405 1.00 1.00 O ATOM 765 CB THR A 52 24.696 18.789 23.463 1.00 1.00 C ATOM 766 OG1 THR A 52 24.575 19.861 24.388 1.00 1.00 O ATOM 767 CG2 THR A 52 25.952 18.985 22.614 1.00 1.00 C ATOM 0 H THR A 52 24.569 17.403 21.397 1.00 1.00 H new ATOM 0 HA THR A 52 22.578 18.539 23.155 1.00 1.00 H new ATOM 0 HB THR A 52 24.772 17.846 24.005 1.00 1.00 H new ATOM 0 HG1 THR A 52 25.363 19.881 24.970 1.00 1.00 H new ATOM 0 HG21 THR A 52 26.829 19.006 23.261 1.00 1.00 H new ATOM 0 HG22 THR A 52 26.044 18.162 21.905 1.00 1.00 H new ATOM 0 HG23 THR A 52 25.880 19.927 22.070 1.00 1.00 H new ATOM 775 N VAL A 53 23.936 20.308 20.755 1.00 1.00 N ATOM 776 CA VAL A 53 23.840 21.569 20.028 1.00 1.00 C ATOM 777 C VAL A 53 22.422 21.780 19.507 1.00 1.00 C ATOM 778 O VAL A 53 22.033 22.900 19.175 1.00 1.00 O ATOM 779 CB VAL A 53 24.822 21.574 18.857 1.00 1.00 C ATOM 780 CG1 VAL A 53 24.659 22.867 18.056 1.00 1.00 C ATOM 781 CG2 VAL A 53 26.253 21.485 19.392 1.00 1.00 C ATOM 0 H VAL A 53 24.536 19.609 20.317 1.00 1.00 H new ATOM 0 HA VAL A 53 24.088 22.380 20.712 1.00 1.00 H new ATOM 0 HB VAL A 53 24.619 20.719 18.211 1.00 1.00 H new ATOM 0 HG11 VAL A 53 25.360 22.869 17.221 1.00 1.00 H new ATOM 0 HG12 VAL A 53 23.640 22.933 17.674 1.00 1.00 H new ATOM 0 HG13 VAL A 53 24.860 23.722 18.701 1.00 1.00 H new ATOM 0 HG21 VAL A 53 26.954 21.488 18.558 1.00 1.00 H new ATOM 0 HG22 VAL A 53 26.454 22.340 20.038 1.00 1.00 H new ATOM 0 HG23 VAL A 53 26.372 20.563 19.962 1.00 1.00 H new ATOM 791 N PHE A 54 21.655 20.698 19.439 1.00 1.00 N ATOM 792 CA PHE A 54 20.281 20.776 18.956 1.00 1.00 C ATOM 793 C PHE A 54 19.331 21.121 20.099 1.00 1.00 C ATOM 794 O PHE A 54 18.180 21.495 19.870 1.00 1.00 O ATOM 795 CB PHE A 54 19.869 19.441 18.333 1.00 1.00 C ATOM 796 CG PHE A 54 19.014 19.696 17.115 1.00 1.00 C ATOM 797 CD1 PHE A 54 19.614 19.841 15.858 1.00 1.00 C ATOM 798 CD2 PHE A 54 17.624 19.786 17.242 1.00 1.00 C ATOM 799 CE1 PHE A 54 18.821 20.078 14.728 1.00 1.00 C ATOM 800 CE2 PHE A 54 16.831 20.023 16.113 1.00 1.00 C ATOM 801 CZ PHE A 54 17.429 20.169 14.856 1.00 1.00 C ATOM 0 H PHE A 54 21.958 19.763 19.710 1.00 1.00 H new ATOM 0 HA PHE A 54 20.225 21.561 18.202 1.00 1.00 H new ATOM 0 HB2 PHE A 54 20.754 18.868 18.056 1.00 1.00 H new ATOM 0 HB3 PHE A 54 19.317 18.844 19.059 1.00 1.00 H new ATOM 0 HD1 PHE A 54 20.687 19.770 15.760 1.00 1.00 H new ATOM 0 HD2 PHE A 54 17.162 19.673 18.212 1.00 1.00 H new ATOM 0 HE1 PHE A 54 19.283 20.191 13.758 1.00 1.00 H new ATOM 0 HE2 PHE A 54 15.758 20.093 16.212 1.00 1.00 H new ATOM 0 HZ PHE A 54 16.817 20.352 13.985 1.00 1.00 H new ATOM 811 N ARG A 55 19.819 20.992 21.328 1.00 1.00 N ATOM 812 CA ARG A 55 19.004 21.293 22.499 1.00 1.00 C ATOM 813 C ARG A 55 19.256 22.720 22.975 1.00 1.00 C ATOM 814 O ARG A 55 18.420 23.315 23.655 1.00 1.00 O ATOM 815 CB ARG A 55 19.328 20.312 23.627 1.00 1.00 C ATOM 816 CG ARG A 55 18.657 18.966 23.342 1.00 1.00 C ATOM 817 CD ARG A 55 19.518 17.837 23.911 1.00 1.00 C ATOM 818 NE ARG A 55 18.766 16.587 23.924 1.00 1.00 N ATOM 819 CZ ARG A 55 17.907 16.312 24.900 1.00 1.00 C ATOM 820 NH1 ARG A 55 17.724 17.166 25.868 1.00 1.00 N ATOM 821 NH2 ARG A 55 17.247 15.186 24.889 1.00 1.00 N ATOM 0 H ARG A 55 20.768 20.683 21.538 1.00 1.00 H new ATOM 0 HA ARG A 55 17.954 21.195 22.223 1.00 1.00 H new ATOM 0 HB2 ARG A 55 20.407 20.182 23.711 1.00 1.00 H new ATOM 0 HB3 ARG A 55 18.979 20.709 24.580 1.00 1.00 H new ATOM 0 HG2 ARG A 55 17.663 18.941 23.789 1.00 1.00 H new ATOM 0 HG3 ARG A 55 18.527 18.833 22.268 1.00 1.00 H new ATOM 0 HD2 ARG A 55 20.421 17.721 23.311 1.00 1.00 H new ATOM 0 HD3 ARG A 55 19.838 18.088 24.922 1.00 1.00 H new ATOM 0 HE ARG A 55 18.902 15.912 23.171 1.00 1.00 H new ATOM 0 HH11 ARG A 55 18.240 18.046 25.876 1.00 1.00 H new ATOM 0 HH12 ARG A 55 17.065 16.954 26.617 1.00 1.00 H new ATOM 0 HH21 ARG A 55 17.391 14.518 24.132 1.00 1.00 H new ATOM 0 HH22 ARG A 55 16.588 14.974 25.638 1.00 1.00 H new ATOM 835 N LYS A 56 20.414 23.264 22.613 1.00 1.00 N ATOM 836 CA LYS A 56 20.765 24.623 23.009 1.00 1.00 C ATOM 837 C LYS A 56 19.877 25.636 22.294 1.00 1.00 C ATOM 838 O LYS A 56 19.251 26.484 22.929 1.00 1.00 O ATOM 839 CB LYS A 56 22.232 24.901 22.675 1.00 1.00 C ATOM 840 CG LYS A 56 23.131 24.141 23.651 1.00 1.00 C ATOM 841 CD LYS A 56 24.598 24.406 23.307 1.00 1.00 C ATOM 842 CE LYS A 56 25.497 23.604 24.250 1.00 1.00 C ATOM 843 NZ LYS A 56 26.331 24.539 25.056 1.00 1.00 N ATOM 0 H LYS A 56 21.120 22.789 22.051 1.00 1.00 H new ATOM 0 HA LYS A 56 20.613 24.719 24.084 1.00 1.00 H new ATOM 0 HB2 LYS A 56 22.447 24.594 21.652 1.00 1.00 H new ATOM 0 HB3 LYS A 56 22.433 25.970 22.736 1.00 1.00 H new ATOM 0 HG2 LYS A 56 22.924 24.456 24.674 1.00 1.00 H new ATOM 0 HG3 LYS A 56 22.921 23.073 23.598 1.00 1.00 H new ATOM 0 HD2 LYS A 56 24.796 24.126 22.273 1.00 1.00 H new ATOM 0 HD3 LYS A 56 24.817 25.470 23.396 1.00 1.00 H new ATOM 0 HE2 LYS A 56 24.889 22.982 24.908 1.00 1.00 H new ATOM 0 HE3 LYS A 56 26.136 22.932 23.677 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 26.942 23.994 25.697 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 26.921 25.114 24.421 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 25.713 25.163 25.614 1.00 1.00 H new ATOM 857 N LYS A 57 19.830 25.543 20.969 1.00 1.00 N ATOM 858 CA LYS A 57 19.015 26.457 20.177 1.00 1.00 C ATOM 859 C LYS A 57 17.549 26.359 20.585 1.00 1.00 C ATOM 860 O LYS A 57 16.701 27.086 20.067 1.00 1.00 O ATOM 861 CB LYS A 57 19.159 26.130 18.689 1.00 1.00 C ATOM 862 CG LYS A 57 18.701 24.692 18.436 1.00 1.00 C ATOM 863 CD LYS A 57 17.310 24.699 17.799 1.00 1.00 C ATOM 864 CE LYS A 57 16.688 23.307 17.919 1.00 1.00 C ATOM 865 NZ LYS A 57 15.647 23.136 16.867 1.00 1.00 N ATOM 0 H LYS A 57 20.343 24.849 20.424 1.00 1.00 H new ATOM 0 HA LYS A 57 19.362 27.474 20.359 1.00 1.00 H new ATOM 0 HB2 LYS A 57 18.563 26.823 18.094 1.00 1.00 H new ATOM 0 HB3 LYS A 57 20.196 26.253 18.377 1.00 1.00 H new ATOM 0 HG2 LYS A 57 19.409 24.184 17.781 1.00 1.00 H new ATOM 0 HG3 LYS A 57 18.680 24.137 19.374 1.00 1.00 H new ATOM 0 HD2 LYS A 57 16.676 25.436 18.292 1.00 1.00 H new ATOM 0 HD3 LYS A 57 17.380 24.989 16.751 1.00 1.00 H new ATOM 0 HE2 LYS A 57 17.458 22.543 17.812 1.00 1.00 H new ATOM 0 HE3 LYS A 57 16.246 23.178 18.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 14.993 22.377 17.146 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 15.119 24.025 16.754 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 16.102 22.887 15.966 1.00 1.00 H new ATOM 879 N GLY A 58 17.257 25.456 21.515 1.00 1.00 N ATOM 880 CA GLY A 58 15.888 25.271 21.985 1.00 1.00 C ATOM 881 C GLY A 58 15.037 24.578 20.927 1.00 1.00 C ATOM 882 O GLY A 58 14.971 23.350 20.878 1.00 1.00 O ATOM 0 H GLY A 58 17.944 24.845 21.956 1.00 1.00 H new ATOM 0 HA2 GLY A 58 15.891 24.679 22.900 1.00 1.00 H new ATOM 0 HA3 GLY A 58 15.451 26.238 22.233 1.00 1.00 H new ATOM 886 N HIS A 59 14.389 25.373 20.082 1.00 1.00 N ATOM 887 CA HIS A 59 13.544 24.824 19.028 1.00 1.00 C ATOM 888 C HIS A 59 13.071 25.930 18.089 1.00 1.00 C ATOM 889 O HIS A 59 11.991 25.841 17.505 1.00 1.00 O ATOM 890 CB HIS A 59 12.332 24.122 19.643 1.00 1.00 C ATOM 891 CG HIS A 59 12.109 22.807 18.948 1.00 1.00 C ATOM 892 ND1 HIS A 59 10.884 22.458 18.401 1.00 1.00 N ATOM 893 CD2 HIS A 59 12.943 21.745 18.702 1.00 1.00 C ATOM 894 CE1 HIS A 59 11.013 21.234 17.859 1.00 1.00 C ATOM 895 NE2 HIS A 59 12.250 20.753 18.014 1.00 1.00 N ATOM 0 H HIS A 59 14.432 26.392 20.106 1.00 1.00 H new ATOM 0 HA HIS A 59 14.130 24.104 18.457 1.00 1.00 H new ATOM 0 HB2 HIS A 59 12.494 23.960 20.709 1.00 1.00 H new ATOM 0 HB3 HIS A 59 11.447 24.751 19.548 1.00 1.00 H new ATOM 0 HD2 HIS A 59 13.980 21.688 18.998 1.00 1.00 H new ATOM 0 HE1 HIS A 59 10.215 20.705 17.360 1.00 1.00 H new ATOM 0 HE2 HIS A 59 12.609 19.853 17.696 1.00 1.00 H new ATOM 903 N HIS A 60 13.887 26.970 17.950 1.00 1.00 N ATOM 904 CA HIS A 60 13.542 28.087 17.079 1.00 1.00 C ATOM 905 C HIS A 60 14.770 28.569 16.313 1.00 1.00 C ATOM 906 O HIS A 60 15.860 28.017 16.459 1.00 1.00 O ATOM 907 CB HIS A 60 12.973 29.239 17.909 1.00 1.00 C ATOM 908 CG HIS A 60 11.542 29.481 17.514 1.00 1.00 C ATOM 909 ND1 HIS A 60 10.488 28.790 18.089 1.00 1.00 N ATOM 910 CD2 HIS A 60 10.974 30.337 16.602 1.00 1.00 C ATOM 911 CE1 HIS A 60 9.352 29.236 17.523 1.00 1.00 C ATOM 912 NE2 HIS A 60 9.591 30.180 16.610 1.00 1.00 N ATOM 0 H HIS A 60 14.785 27.062 18.425 1.00 1.00 H new ATOM 0 HA HIS A 60 12.792 27.748 16.365 1.00 1.00 H new ATOM 0 HB2 HIS A 60 13.033 29.001 18.971 1.00 1.00 H new ATOM 0 HB3 HIS A 60 13.563 30.142 17.751 1.00 1.00 H new ATOM 0 HD2 HIS A 60 11.518 31.027 15.974 1.00 1.00 H new ATOM 0 HE1 HIS A 60 8.366 28.874 17.776 1.00 1.00 H new ATOM 0 HE2 HIS A 60 8.907 30.679 16.041 1.00 1.00 H new ATOM 920 N HIS A 61 14.584 29.599 15.495 1.00 1.00 N ATOM 921 CA HIS A 61 15.684 30.146 14.710 1.00 1.00 C ATOM 922 C HIS A 61 15.559 31.663 14.597 1.00 1.00 C ATOM 923 O HIS A 61 15.189 32.188 13.547 1.00 1.00 O ATOM 924 CB HIS A 61 15.686 29.528 13.311 1.00 1.00 C ATOM 925 CG HIS A 61 16.947 29.920 12.590 1.00 1.00 C ATOM 926 ND1 HIS A 61 17.253 29.444 11.325 1.00 1.00 N ATOM 927 CD2 HIS A 61 17.988 30.742 12.944 1.00 1.00 C ATOM 928 CE1 HIS A 61 18.435 29.978 10.967 1.00 1.00 C ATOM 929 NE2 HIS A 61 18.927 30.776 11.917 1.00 1.00 N ATOM 0 H HIS A 61 13.689 30.069 15.359 1.00 1.00 H new ATOM 0 HA HIS A 61 16.620 29.906 15.215 1.00 1.00 H new ATOM 0 HB2 HIS A 61 15.617 28.442 13.382 1.00 1.00 H new ATOM 0 HB3 HIS A 61 14.814 29.867 12.751 1.00 1.00 H new ATOM 0 HD2 HIS A 61 18.066 31.280 13.877 1.00 1.00 H new ATOM 0 HE1 HIS A 61 18.926 29.784 10.025 1.00 1.00 H new ATOM 0 HE2 HIS A 61 19.803 31.298 11.895 1.00 1.00 H new ATOM 937 N HIS A 62 15.873 32.360 15.684 1.00 1.00 N ATOM 938 CA HIS A 62 15.792 33.817 15.695 1.00 1.00 C ATOM 939 C HIS A 62 16.963 34.424 14.928 1.00 1.00 C ATOM 940 O HIS A 62 16.770 35.220 14.011 1.00 1.00 O ATOM 941 CB HIS A 62 15.802 34.329 17.136 1.00 1.00 C ATOM 942 CG HIS A 62 14.401 34.682 17.553 1.00 1.00 C ATOM 943 ND1 HIS A 62 14.130 35.731 18.418 1.00 1.00 N ATOM 944 CD2 HIS A 62 13.183 34.136 17.231 1.00 1.00 C ATOM 945 CE1 HIS A 62 12.795 35.782 18.586 1.00 1.00 C ATOM 946 NE2 HIS A 62 12.171 34.832 17.885 1.00 1.00 N ATOM 0 H HIS A 62 16.184 31.944 16.562 1.00 1.00 H new ATOM 0 HA HIS A 62 14.862 34.115 15.211 1.00 1.00 H new ATOM 0 HB2 HIS A 62 16.210 33.567 17.801 1.00 1.00 H new ATOM 0 HB3 HIS A 62 16.448 35.203 17.218 1.00 1.00 H new ATOM 0 HD2 HIS A 62 13.033 33.295 16.571 1.00 1.00 H new ATOM 0 HE1 HIS A 62 12.290 36.503 19.212 1.00 1.00 H new ATOM 0 HE2 HIS A 62 11.168 34.655 17.839 1.00 1.00 H new ATOM 954 N HIS A 63 18.176 34.041 15.313 1.00 1.00 N ATOM 955 CA HIS A 63 19.372 34.555 14.654 1.00 1.00 C ATOM 956 C HIS A 63 20.624 33.905 15.232 1.00 1.00 C ATOM 957 O HIS A 63 21.630 34.573 15.468 1.00 1.00 O ATOM 958 CB HIS A 63 19.454 36.073 14.831 1.00 1.00 C ATOM 959 CG HIS A 63 19.167 36.427 16.264 1.00 1.00 C ATOM 960 ND1 HIS A 63 17.972 37.011 16.656 1.00 1.00 N ATOM 961 CD2 HIS A 63 19.909 36.285 17.411 1.00 1.00 C ATOM 962 CE1 HIS A 63 18.029 37.198 17.987 1.00 1.00 C ATOM 963 NE2 HIS A 63 19.188 36.773 18.497 1.00 1.00 N ATOM 0 H HIS A 63 18.357 33.383 16.071 1.00 1.00 H new ATOM 0 HA HIS A 63 19.310 34.316 13.592 1.00 1.00 H new ATOM 0 HB2 HIS A 63 20.444 36.430 14.549 1.00 1.00 H new ATOM 0 HB3 HIS A 63 18.738 36.566 14.173 1.00 1.00 H new ATOM 0 HD2 HIS A 63 20.900 35.860 17.462 1.00 1.00 H new ATOM 0 HE1 HIS A 63 17.235 37.638 18.572 1.00 1.00 H new ATOM 0 HE2 HIS A 63 19.482 36.800 19.473 1.00 1.00 H new ATOM 971 N HIS A 64 20.555 32.597 15.459 1.00 1.00 N ATOM 972 CA HIS A 64 21.690 31.866 16.011 1.00 1.00 C ATOM 973 C HIS A 64 22.332 32.652 17.149 1.00 1.00 C ATOM 974 O HIS A 64 23.540 32.567 17.295 1.00 1.00 O ATOM 975 CB HIS A 64 22.727 31.610 14.916 1.00 1.00 C ATOM 976 CG HIS A 64 23.564 30.416 15.288 1.00 1.00 C ATOM 977 ND1 HIS A 64 24.527 30.469 16.283 1.00 1.00 N ATOM 978 CD2 HIS A 64 23.592 29.130 14.806 1.00 1.00 C ATOM 979 CE1 HIS A 64 25.090 29.250 16.368 1.00 1.00 C ATOM 980 NE2 HIS A 64 24.557 28.396 15.491 1.00 1.00 N ATOM 981 OXT HIS A 64 21.605 33.329 17.859 1.00 1.00 O ATOM 0 H HIS A 64 19.732 32.025 15.271 1.00 1.00 H new ATOM 0 HA HIS A 64 21.330 30.914 16.401 1.00 1.00 H new ATOM 0 HB2 HIS A 64 22.229 31.436 13.962 1.00 1.00 H new ATOM 0 HB3 HIS A 64 23.362 32.487 14.789 1.00 1.00 H new ATOM 0 HD1 HIS A 64 24.766 31.284 16.848 1.00 1.00 H new ATOM 0 HD2 HIS A 64 22.962 28.747 14.017 1.00 1.00 H new ATOM 0 HE1 HIS A 64 25.877 28.993 17.061 1.00 1.00 H new TER 989 HIS A 64