USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=17 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+ -118:sc= 0.24 (180deg=-0.355) USER MOD Single : A 9 ASN : amide:sc= -0.153 K(o=-0.15,f=-0.65) 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= -0.246 X(o=-0.25,f=-0.59!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -0.112 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.248 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 147:sc= -0.18 (180deg=-1.37!) USER MOD Single : A 26 SER OG : rot 84:sc= 0.245 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 153:sc= 0 (180deg=-0.00896) 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= 0.222 K(o=0.22,f=-0.4) 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 57 LYS NZ :NH3+ 166:sc= -0.483 (180deg=-0.811) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.492 F(o=-1.4!,f=-0.49) USER MOD Single : A 60 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.3) USER MOD Single : A 61 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.0082) USER MOD Single : A 62 HIS : no HD1:sc= -0.506 K(o=-0.51,f=-1.6) USER MOD Single : A 63 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-1.8) USER MOD Single : A 64 HIS : no HD1:sc= -0.0588 X(o=-0.059,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 44.700 -0.659 29.093 1.00 1.00 N ATOM 2 CA MET A 1 46.083 -0.218 29.433 1.00 1.00 C ATOM 3 C MET A 1 46.476 0.951 28.535 1.00 1.00 C ATOM 4 O MET A 1 47.239 0.785 27.583 1.00 1.00 O ATOM 5 CB MET A 1 47.052 -1.385 29.226 1.00 1.00 C ATOM 6 CG MET A 1 46.605 -2.578 30.073 1.00 1.00 C ATOM 7 SD MET A 1 45.876 -3.841 29.001 1.00 1.00 S ATOM 8 CE MET A 1 47.122 -5.122 29.281 1.00 1.00 C ATOM 0 H1 MET A 1 44.082 -0.533 29.920 1.00 1.00 H new ATOM 0 H2 MET A 1 44.339 -0.090 28.301 1.00 1.00 H new ATOM 0 H3 MET A 1 44.713 -1.663 28.820 1.00 1.00 H new ATOM 0 HA MET A 1 46.124 0.101 30.474 1.00 1.00 H new ATOM 0 HB2 MET A 1 47.081 -1.664 28.173 1.00 1.00 H new ATOM 0 HB3 MET A 1 48.062 -1.086 29.505 1.00 1.00 H new ATOM 0 HG2 MET A 1 47.456 -2.992 30.614 1.00 1.00 H new ATOM 0 HG3 MET A 1 45.879 -2.256 30.819 1.00 1.00 H new ATOM 0 HE1 MET A 1 46.866 -6.011 28.704 1.00 1.00 H new ATOM 0 HE2 MET A 1 48.099 -4.754 28.967 1.00 1.00 H new ATOM 0 HE3 MET A 1 47.153 -5.374 30.341 1.00 1.00 H new ATOM 20 N GLU A 2 45.951 2.131 28.847 1.00 1.00 N ATOM 21 CA GLU A 2 46.255 3.322 28.061 1.00 1.00 C ATOM 22 C GLU A 2 47.480 4.037 28.623 1.00 1.00 C ATOM 23 O GLU A 2 47.356 5.009 29.367 1.00 1.00 O ATOM 24 CB GLU A 2 45.057 4.274 28.071 1.00 1.00 C ATOM 25 CG GLU A 2 45.191 5.275 26.922 1.00 1.00 C ATOM 26 CD GLU A 2 44.888 4.589 25.594 1.00 1.00 C ATOM 27 OE1 GLU A 2 43.870 3.921 25.514 1.00 1.00 O ATOM 28 OE2 GLU A 2 45.679 4.740 24.678 1.00 1.00 O ATOM 0 H GLU A 2 45.318 2.288 29.631 1.00 1.00 H new ATOM 0 HA GLU A 2 46.466 3.014 27.037 1.00 1.00 H new ATOM 0 HB2 GLU A 2 44.130 3.710 27.970 1.00 1.00 H new ATOM 0 HB3 GLU A 2 45.006 4.802 29.023 1.00 1.00 H new ATOM 0 HG2 GLU A 2 44.506 6.109 27.074 1.00 1.00 H new ATOM 0 HG3 GLU A 2 46.199 5.689 26.905 1.00 1.00 H new ATOM 35 N GLU A 3 48.662 3.547 28.262 1.00 1.00 N ATOM 36 CA GLU A 3 49.903 4.147 28.737 1.00 1.00 C ATOM 37 C GLU A 3 49.970 5.620 28.347 1.00 1.00 C ATOM 38 O GLU A 3 50.106 5.955 27.170 1.00 1.00 O ATOM 39 CB GLU A 3 51.102 3.405 28.144 1.00 1.00 C ATOM 40 CG GLU A 3 51.677 2.446 29.188 1.00 1.00 C ATOM 41 CD GLU A 3 52.689 1.511 28.536 1.00 1.00 C ATOM 42 OE1 GLU A 3 52.428 1.065 27.430 1.00 1.00 O ATOM 43 OE2 GLU A 3 53.711 1.254 29.151 1.00 1.00 O ATOM 0 H GLU A 3 48.786 2.743 27.647 1.00 1.00 H new ATOM 0 HA GLU A 3 49.929 4.069 29.824 1.00 1.00 H new ATOM 0 HB2 GLU A 3 50.797 2.852 27.255 1.00 1.00 H new ATOM 0 HB3 GLU A 3 51.865 4.117 27.830 1.00 1.00 H new ATOM 0 HG2 GLU A 3 52.155 3.011 29.989 1.00 1.00 H new ATOM 0 HG3 GLU A 3 50.874 1.866 29.642 1.00 1.00 H new ATOM 50 N GLY A 4 49.873 6.495 29.342 1.00 1.00 N ATOM 51 CA GLY A 4 49.924 7.932 29.091 1.00 1.00 C ATOM 52 C GLY A 4 50.097 8.706 30.393 1.00 1.00 C ATOM 53 O GLY A 4 49.402 9.692 30.636 1.00 1.00 O ATOM 0 H GLY A 4 49.759 6.238 30.323 1.00 1.00 H new ATOM 0 HA2 GLY A 4 50.750 8.158 28.416 1.00 1.00 H new ATOM 0 HA3 GLY A 4 49.009 8.251 28.593 1.00 1.00 H new ATOM 57 N GLY A 5 51.026 8.252 31.226 1.00 1.00 N ATOM 58 CA GLY A 5 51.282 8.910 32.502 1.00 1.00 C ATOM 59 C GLY A 5 52.539 9.771 32.428 1.00 1.00 C ATOM 60 O GLY A 5 53.046 10.054 31.344 1.00 1.00 O ATOM 0 H GLY A 5 51.611 7.437 31.043 1.00 1.00 H new ATOM 0 HA2 GLY A 5 50.427 9.530 32.774 1.00 1.00 H new ATOM 0 HA3 GLY A 5 51.395 8.161 33.286 1.00 1.00 H new ATOM 64 N ASP A 6 53.035 10.186 33.590 1.00 1.00 N ATOM 65 CA ASP A 6 54.233 11.015 33.645 1.00 1.00 C ATOM 66 C ASP A 6 54.196 12.083 32.556 1.00 1.00 C ATOM 67 O ASP A 6 55.232 12.618 32.162 1.00 1.00 O ATOM 68 CB ASP A 6 55.479 10.146 33.468 1.00 1.00 C ATOM 69 CG ASP A 6 56.634 10.720 34.281 1.00 1.00 C ATOM 70 OD1 ASP A 6 56.818 11.926 34.243 1.00 1.00 O ATOM 71 OD2 ASP A 6 57.317 9.945 34.932 1.00 1.00 O ATOM 0 H ASP A 6 52.629 9.964 34.499 1.00 1.00 H new ATOM 0 HA ASP A 6 54.268 11.505 34.618 1.00 1.00 H new ATOM 0 HB2 ASP A 6 55.269 9.126 33.789 1.00 1.00 H new ATOM 0 HB3 ASP A 6 55.753 10.099 32.414 1.00 1.00 H new ATOM 76 N PHE A 7 52.995 12.388 32.074 1.00 1.00 N ATOM 77 CA PHE A 7 52.836 13.394 31.030 1.00 1.00 C ATOM 78 C PHE A 7 53.594 12.985 29.771 1.00 1.00 C ATOM 79 O PHE A 7 54.797 12.734 29.814 1.00 1.00 O ATOM 80 CB PHE A 7 53.353 14.745 31.524 1.00 1.00 C ATOM 81 CG PHE A 7 53.211 14.822 33.024 1.00 1.00 C ATOM 82 CD1 PHE A 7 52.015 14.429 33.636 1.00 1.00 C ATOM 83 CD2 PHE A 7 54.276 15.287 33.805 1.00 1.00 C ATOM 84 CE1 PHE A 7 51.883 14.501 35.028 1.00 1.00 C ATOM 85 CE2 PHE A 7 54.144 15.359 35.197 1.00 1.00 C ATOM 86 CZ PHE A 7 52.949 14.965 35.809 1.00 1.00 C ATOM 0 H PHE A 7 52.125 11.957 32.386 1.00 1.00 H new ATOM 0 HA PHE A 7 51.776 13.477 30.790 1.00 1.00 H new ATOM 0 HB2 PHE A 7 54.398 14.872 31.240 1.00 1.00 H new ATOM 0 HB3 PHE A 7 52.794 15.554 31.053 1.00 1.00 H new ATOM 0 HD1 PHE A 7 51.193 14.070 33.034 1.00 1.00 H new ATOM 0 HD2 PHE A 7 55.199 15.590 33.334 1.00 1.00 H new ATOM 0 HE1 PHE A 7 50.959 14.199 35.499 1.00 1.00 H new ATOM 0 HE2 PHE A 7 54.965 15.719 35.799 1.00 1.00 H new ATOM 0 HZ PHE A 7 52.849 15.019 36.883 1.00 1.00 H new ATOM 96 N ASP A 8 52.880 12.922 28.652 1.00 1.00 N ATOM 97 CA ASP A 8 53.492 12.545 27.386 1.00 1.00 C ATOM 98 C ASP A 8 52.588 12.928 26.220 1.00 1.00 C ATOM 99 O ASP A 8 51.650 12.202 25.885 1.00 1.00 O ATOM 100 CB ASP A 8 53.752 11.038 27.359 1.00 1.00 C ATOM 101 CG ASP A 8 53.775 10.539 25.919 1.00 1.00 C ATOM 102 OD1 ASP A 8 54.826 10.613 25.304 1.00 1.00 O ATOM 103 OD2 ASP A 8 52.740 10.092 25.451 1.00 1.00 O ATOM 0 H ASP A 8 51.882 13.126 28.597 1.00 1.00 H new ATOM 0 HA ASP A 8 54.438 13.078 27.288 1.00 1.00 H new ATOM 0 HB2 ASP A 8 54.702 10.816 27.845 1.00 1.00 H new ATOM 0 HB3 ASP A 8 52.977 10.517 27.921 1.00 1.00 H new ATOM 108 N ASN A 9 52.874 14.074 25.606 1.00 1.00 N ATOM 109 CA ASN A 9 52.081 14.551 24.477 1.00 1.00 C ATOM 110 C ASN A 9 52.980 14.886 23.291 1.00 1.00 C ATOM 111 O ASN A 9 52.517 14.958 22.152 1.00 1.00 O ATOM 112 CB ASN A 9 51.291 15.796 24.885 1.00 1.00 C ATOM 113 CG ASN A 9 50.687 16.458 23.651 1.00 1.00 C ATOM 114 OD1 ASN A 9 51.045 17.586 23.312 1.00 1.00 O ATOM 115 ND2 ASN A 9 49.788 15.819 22.953 1.00 1.00 N ATOM 0 H ASN A 9 53.646 14.687 25.870 1.00 1.00 H new ATOM 0 HA ASN A 9 51.391 13.760 24.183 1.00 1.00 H new ATOM 0 HB2 ASN A 9 50.501 15.522 25.584 1.00 1.00 H new ATOM 0 HB3 ASN A 9 51.945 16.499 25.401 1.00 1.00 H new ATOM 0 HD21 ASN A 9 49.381 16.254 22.125 1.00 1.00 H new ATOM 0 HD22 ASN A 9 49.493 14.884 23.235 1.00 1.00 H new ATOM 122 N TYR A 10 54.268 15.086 23.564 1.00 1.00 N ATOM 123 CA TYR A 10 55.237 15.414 22.518 1.00 1.00 C ATOM 124 C TYR A 10 54.976 16.811 21.960 1.00 1.00 C ATOM 125 O TYR A 10 55.913 17.561 21.687 1.00 1.00 O ATOM 126 CB TYR A 10 55.188 14.383 21.382 1.00 1.00 C ATOM 127 CG TYR A 10 56.525 13.691 21.278 1.00 1.00 C ATOM 128 CD1 TYR A 10 57.033 12.990 22.380 1.00 1.00 C ATOM 129 CD2 TYR A 10 57.258 13.748 20.088 1.00 1.00 C ATOM 130 CE1 TYR A 10 58.273 12.349 22.290 1.00 1.00 C ATOM 131 CE2 TYR A 10 58.499 13.105 19.997 1.00 1.00 C ATOM 132 CZ TYR A 10 59.006 12.406 21.099 1.00 1.00 C ATOM 133 OH TYR A 10 60.229 11.772 21.009 1.00 1.00 O ATOM 0 H TYR A 10 54.666 15.027 24.501 1.00 1.00 H new ATOM 0 HA TYR A 10 56.230 15.392 22.966 1.00 1.00 H new ATOM 0 HB2 TYR A 10 54.401 13.653 21.572 1.00 1.00 H new ATOM 0 HB3 TYR A 10 54.946 14.874 20.440 1.00 1.00 H new ATOM 0 HD1 TYR A 10 56.467 12.945 23.299 1.00 1.00 H new ATOM 0 HD2 TYR A 10 56.867 14.288 19.239 1.00 1.00 H new ATOM 0 HE1 TYR A 10 58.665 11.810 23.140 1.00 1.00 H new ATOM 0 HE2 TYR A 10 59.064 13.148 19.078 1.00 1.00 H new ATOM 0 HH TYR A 10 60.604 11.910 20.114 1.00 1.00 H new ATOM 143 N TYR A 11 53.703 17.157 21.799 1.00 1.00 N ATOM 144 CA TYR A 11 53.340 18.470 21.279 1.00 1.00 C ATOM 145 C TYR A 11 54.054 18.743 19.959 1.00 1.00 C ATOM 146 O TYR A 11 54.962 18.009 19.570 1.00 1.00 O ATOM 147 CB TYR A 11 53.709 19.550 22.298 1.00 1.00 C ATOM 148 CG TYR A 11 52.736 20.699 22.187 1.00 1.00 C ATOM 149 CD1 TYR A 11 52.994 21.751 21.301 1.00 1.00 C ATOM 150 CD2 TYR A 11 51.575 20.713 22.970 1.00 1.00 C ATOM 151 CE1 TYR A 11 52.092 22.817 21.198 1.00 1.00 C ATOM 152 CE2 TYR A 11 50.674 21.778 22.867 1.00 1.00 C ATOM 153 CZ TYR A 11 50.932 22.831 21.981 1.00 1.00 C ATOM 154 OH TYR A 11 50.043 23.881 21.880 1.00 1.00 O ATOM 0 H TYR A 11 52.912 16.552 22.019 1.00 1.00 H new ATOM 0 HA TYR A 11 52.265 18.488 21.102 1.00 1.00 H new ATOM 0 HB2 TYR A 11 53.687 19.137 23.306 1.00 1.00 H new ATOM 0 HB3 TYR A 11 54.725 19.901 22.120 1.00 1.00 H new ATOM 0 HD1 TYR A 11 53.889 21.741 20.697 1.00 1.00 H new ATOM 0 HD2 TYR A 11 51.375 19.901 23.654 1.00 1.00 H new ATOM 0 HE1 TYR A 11 52.291 23.629 20.514 1.00 1.00 H new ATOM 0 HE2 TYR A 11 49.779 21.788 23.471 1.00 1.00 H new ATOM 0 HH TYR A 11 49.291 23.733 22.491 1.00 1.00 H new ATOM 164 N GLY A 12 53.636 19.804 19.276 1.00 1.00 N ATOM 165 CA GLY A 12 54.241 20.166 17.999 1.00 1.00 C ATOM 166 C GLY A 12 54.520 18.927 17.156 1.00 1.00 C ATOM 167 O GLY A 12 55.452 18.908 16.352 1.00 1.00 O ATOM 0 H GLY A 12 52.886 20.424 19.582 1.00 1.00 H new ATOM 0 HA2 GLY A 12 53.577 20.838 17.455 1.00 1.00 H new ATOM 0 HA3 GLY A 12 55.170 20.708 18.174 1.00 1.00 H new ATOM 171 N ALA A 13 53.705 17.895 17.345 1.00 1.00 N ATOM 172 CA ALA A 13 53.873 16.655 16.596 1.00 1.00 C ATOM 173 C ALA A 13 53.474 16.853 15.137 1.00 1.00 C ATOM 174 O ALA A 13 53.504 17.970 14.621 1.00 1.00 O ATOM 175 CB ALA A 13 53.019 15.548 17.216 1.00 1.00 C ATOM 0 H ALA A 13 52.927 17.892 18.005 1.00 1.00 H new ATOM 0 HA ALA A 13 54.923 16.367 16.638 1.00 1.00 H new ATOM 0 HB1 ALA A 13 53.151 14.626 16.650 1.00 1.00 H new ATOM 0 HB2 ALA A 13 53.327 15.387 18.249 1.00 1.00 H new ATOM 0 HB3 ALA A 13 51.969 15.841 17.192 1.00 1.00 H new ATOM 181 N ASP A 14 53.099 15.761 14.477 1.00 1.00 N ATOM 182 CA ASP A 14 52.694 15.827 13.078 1.00 1.00 C ATOM 183 C ASP A 14 53.685 16.662 12.274 1.00 1.00 C ATOM 184 O ASP A 14 53.393 17.083 11.154 1.00 1.00 O ATOM 185 CB ASP A 14 51.297 16.441 12.969 1.00 1.00 C ATOM 186 CG ASP A 14 50.598 15.927 11.716 1.00 1.00 C ATOM 187 OD1 ASP A 14 51.176 16.041 10.649 1.00 1.00 O ATOM 188 OD2 ASP A 14 49.491 15.429 11.842 1.00 1.00 O ATOM 0 H ASP A 14 53.067 14.827 14.885 1.00 1.00 H new ATOM 0 HA ASP A 14 52.678 14.815 12.674 1.00 1.00 H new ATOM 0 HB2 ASP A 14 50.710 16.189 13.852 1.00 1.00 H new ATOM 0 HB3 ASP A 14 51.370 17.528 12.935 1.00 1.00 H new ATOM 193 N ASN A 15 54.859 16.896 12.851 1.00 1.00 N ATOM 194 CA ASN A 15 55.888 17.679 12.179 1.00 1.00 C ATOM 195 C ASN A 15 56.872 16.760 11.463 1.00 1.00 C ATOM 196 O ASN A 15 57.372 17.088 10.387 1.00 1.00 O ATOM 197 CB ASN A 15 56.638 18.539 13.197 1.00 1.00 C ATOM 198 CG ASN A 15 57.311 19.713 12.493 1.00 1.00 C ATOM 199 OD1 ASN A 15 57.791 19.571 11.368 1.00 1.00 O ATOM 200 ND2 ASN A 15 57.376 20.871 13.091 1.00 1.00 N ATOM 0 H ASN A 15 55.120 16.557 13.777 1.00 1.00 H new ATOM 0 HA ASN A 15 55.408 18.325 11.444 1.00 1.00 H new ATOM 0 HB2 ASN A 15 55.946 18.907 13.955 1.00 1.00 H new ATOM 0 HB3 ASN A 15 57.386 17.937 13.713 1.00 1.00 H new ATOM 0 HD21 ASN A 15 57.825 21.660 12.627 1.00 1.00 H new ATOM 0 HD22 ASN A 15 56.978 20.987 14.023 1.00 1.00 H new ATOM 207 N GLN A 16 57.141 15.607 12.069 1.00 1.00 N ATOM 208 CA GLN A 16 58.065 14.641 11.484 1.00 1.00 C ATOM 209 C GLN A 16 57.304 13.441 10.931 1.00 1.00 C ATOM 210 O GLN A 16 57.745 12.300 11.060 1.00 1.00 O ATOM 211 CB GLN A 16 59.066 14.170 12.541 1.00 1.00 C ATOM 212 CG GLN A 16 59.247 15.262 13.597 1.00 1.00 C ATOM 213 CD GLN A 16 60.519 15.007 14.396 1.00 1.00 C ATOM 214 OE1 GLN A 16 60.494 14.282 15.392 1.00 1.00 O ATOM 215 NE2 GLN A 16 61.640 15.560 14.018 1.00 1.00 N ATOM 0 H GLN A 16 56.735 15.320 12.960 1.00 1.00 H new ATOM 0 HA GLN A 16 58.600 15.126 10.668 1.00 1.00 H new ATOM 0 HB2 GLN A 16 58.711 13.252 13.009 1.00 1.00 H new ATOM 0 HB3 GLN A 16 60.023 13.940 12.073 1.00 1.00 H new ATOM 0 HG2 GLN A 16 59.299 16.239 13.117 1.00 1.00 H new ATOM 0 HG3 GLN A 16 58.386 15.280 14.265 1.00 1.00 H new ATOM 0 HE21 GLN A 16 61.660 16.160 13.193 1.00 1.00 H new ATOM 0 HE22 GLN A 16 62.496 15.392 14.547 1.00 1.00 H new ATOM 224 N SER A 17 56.160 13.710 10.313 1.00 1.00 N ATOM 225 CA SER A 17 55.342 12.646 9.741 1.00 1.00 C ATOM 226 C SER A 17 54.752 13.084 8.405 1.00 1.00 C ATOM 227 O SER A 17 54.766 14.267 8.066 1.00 1.00 O ATOM 228 CB SER A 17 54.213 12.282 10.705 1.00 1.00 C ATOM 229 OG SER A 17 54.746 11.542 11.796 1.00 1.00 O ATOM 0 H SER A 17 55.779 14.649 10.195 1.00 1.00 H new ATOM 0 HA SER A 17 55.975 11.774 9.577 1.00 1.00 H new ATOM 0 HB2 SER A 17 53.724 13.186 11.068 1.00 1.00 H new ATOM 0 HB3 SER A 17 53.454 11.695 10.189 1.00 1.00 H new ATOM 0 HG SER A 17 54.024 11.309 12.417 1.00 1.00 H new ATOM 235 N GLU A 18 54.236 12.121 7.648 1.00 1.00 N ATOM 236 CA GLU A 18 53.644 12.417 6.350 1.00 1.00 C ATOM 237 C GLU A 18 52.567 13.490 6.484 1.00 1.00 C ATOM 238 O GLU A 18 51.488 13.237 7.020 1.00 1.00 O ATOM 239 CB GLU A 18 53.031 11.150 5.752 1.00 1.00 C ATOM 240 CG GLU A 18 51.889 10.663 6.646 1.00 1.00 C ATOM 241 CD GLU A 18 51.830 9.140 6.633 1.00 1.00 C ATOM 242 OE1 GLU A 18 51.425 8.592 5.621 1.00 1.00 O ATOM 243 OE2 GLU A 18 52.191 8.543 7.634 1.00 1.00 O ATOM 0 H GLU A 18 54.216 11.135 7.909 1.00 1.00 H new ATOM 0 HA GLU A 18 54.430 12.786 5.691 1.00 1.00 H new ATOM 0 HB2 GLU A 18 52.659 11.353 4.748 1.00 1.00 H new ATOM 0 HB3 GLU A 18 53.791 10.374 5.660 1.00 1.00 H new ATOM 0 HG2 GLU A 18 52.036 11.021 7.665 1.00 1.00 H new ATOM 0 HG3 GLU A 18 50.942 11.075 6.297 1.00 1.00 H new ATOM 250 N CYS A 19 52.869 14.688 5.994 1.00 1.00 N ATOM 251 CA CYS A 19 51.919 15.792 6.064 1.00 1.00 C ATOM 252 C CYS A 19 51.093 15.871 4.784 1.00 1.00 C ATOM 253 O CYS A 19 49.867 15.764 4.818 1.00 1.00 O ATOM 254 CB CYS A 19 52.665 17.111 6.273 1.00 1.00 C ATOM 255 SG CYS A 19 51.477 18.424 6.650 1.00 1.00 S ATOM 0 H CYS A 19 53.757 14.918 5.548 1.00 1.00 H new ATOM 0 HA CYS A 19 51.249 15.616 6.905 1.00 1.00 H new ATOM 0 HB2 CYS A 19 53.382 17.010 7.088 1.00 1.00 H new ATOM 0 HB3 CYS A 19 53.233 17.366 5.378 1.00 1.00 H new ATOM 0 HG CYS A 19 52.111 19.545 6.830 1.00 1.00 H new ATOM 261 N GLU A 20 51.772 16.057 3.657 1.00 1.00 N ATOM 262 CA GLU A 20 51.090 16.148 2.372 1.00 1.00 C ATOM 263 C GLU A 20 51.984 15.624 1.254 1.00 1.00 C ATOM 264 O GLU A 20 51.964 16.141 0.136 1.00 1.00 O ATOM 265 CB GLU A 20 50.708 17.602 2.084 1.00 1.00 C ATOM 266 CG GLU A 20 49.705 18.085 3.132 1.00 1.00 C ATOM 267 CD GLU A 20 49.082 19.404 2.687 1.00 1.00 C ATOM 268 OE1 GLU A 20 49.797 20.210 2.114 1.00 1.00 O ATOM 269 OE2 GLU A 20 47.900 19.589 2.927 1.00 1.00 O ATOM 0 H GLU A 20 52.787 16.147 3.607 1.00 1.00 H new ATOM 0 HA GLU A 20 50.188 15.538 2.417 1.00 1.00 H new ATOM 0 HB2 GLU A 20 51.597 18.232 2.099 1.00 1.00 H new ATOM 0 HB3 GLU A 20 50.276 17.685 1.087 1.00 1.00 H new ATOM 0 HG2 GLU A 20 48.927 17.336 3.275 1.00 1.00 H new ATOM 0 HG3 GLU A 20 50.204 18.214 4.093 1.00 1.00 H new ATOM 276 N TYR A 21 52.768 14.595 1.562 1.00 1.00 N ATOM 277 CA TYR A 21 53.667 14.007 0.576 1.00 1.00 C ATOM 278 C TYR A 21 53.103 12.689 0.056 1.00 1.00 C ATOM 279 O TYR A 21 53.754 11.986 -0.718 1.00 1.00 O ATOM 280 CB TYR A 21 55.041 13.764 1.203 1.00 1.00 C ATOM 281 CG TYR A 21 55.192 14.629 2.432 1.00 1.00 C ATOM 282 CD1 TYR A 21 54.905 15.998 2.363 1.00 1.00 C ATOM 283 CD2 TYR A 21 55.618 14.063 3.640 1.00 1.00 C ATOM 284 CE1 TYR A 21 55.043 16.800 3.501 1.00 1.00 C ATOM 285 CE2 TYR A 21 55.757 14.866 4.778 1.00 1.00 C ATOM 286 CZ TYR A 21 55.470 16.235 4.709 1.00 1.00 C ATOM 287 OH TYR A 21 55.606 17.026 5.831 1.00 1.00 O ATOM 0 H TYR A 21 52.799 14.154 2.481 1.00 1.00 H new ATOM 0 HA TYR A 21 53.766 14.701 -0.259 1.00 1.00 H new ATOM 0 HB2 TYR A 21 55.151 12.713 1.469 1.00 1.00 H new ATOM 0 HB3 TYR A 21 55.827 13.994 0.484 1.00 1.00 H new ATOM 0 HD1 TYR A 21 54.577 16.435 1.431 1.00 1.00 H new ATOM 0 HD2 TYR A 21 55.839 13.007 3.694 1.00 1.00 H new ATOM 0 HE1 TYR A 21 54.820 17.855 3.448 1.00 1.00 H new ATOM 0 HE2 TYR A 21 56.086 14.430 5.710 1.00 1.00 H new ATOM 0 HH TYR A 21 55.910 16.477 6.584 1.00 1.00 H new ATOM 297 N THR A 22 51.889 12.359 0.486 1.00 1.00 N ATOM 298 CA THR A 22 51.248 11.122 0.058 1.00 1.00 C ATOM 299 C THR A 22 49.758 11.152 0.382 1.00 1.00 C ATOM 300 O THR A 22 48.923 10.808 -0.455 1.00 1.00 O ATOM 301 CB THR A 22 51.899 9.927 0.755 1.00 1.00 C ATOM 302 OG1 THR A 22 50.936 8.896 0.925 1.00 1.00 O ATOM 303 CG2 THR A 22 52.433 10.359 2.122 1.00 1.00 C ATOM 0 H THR A 22 51.333 12.927 1.126 1.00 1.00 H new ATOM 0 HA THR A 22 51.373 11.025 -1.020 1.00 1.00 H new ATOM 0 HB THR A 22 52.724 9.557 0.146 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.353 8.129 1.370 1.00 1.00 H new ATOM 0 HG21 THR A 22 52.897 9.506 2.618 1.00 1.00 H new ATOM 0 HG22 THR A 22 53.173 11.149 1.991 1.00 1.00 H new ATOM 0 HG23 THR A 22 51.610 10.731 2.733 1.00 1.00 H new ATOM 311 N ASP A 23 49.432 11.564 1.603 1.00 1.00 N ATOM 312 CA ASP A 23 48.039 11.635 2.028 1.00 1.00 C ATOM 313 C ASP A 23 47.348 12.841 1.403 1.00 1.00 C ATOM 314 O ASP A 23 46.405 13.392 1.972 1.00 1.00 O ATOM 315 CB ASP A 23 47.964 11.735 3.553 1.00 1.00 C ATOM 316 CG ASP A 23 48.976 12.756 4.060 1.00 1.00 C ATOM 317 OD1 ASP A 23 50.161 12.472 3.988 1.00 1.00 O ATOM 318 OD2 ASP A 23 48.553 13.807 4.512 1.00 1.00 O ATOM 0 H ASP A 23 50.108 11.852 2.311 1.00 1.00 H new ATOM 0 HA ASP A 23 47.531 10.729 1.697 1.00 1.00 H new ATOM 0 HB2 ASP A 23 46.959 12.026 3.857 1.00 1.00 H new ATOM 0 HB3 ASP A 23 48.163 10.761 4.000 1.00 1.00 H new ATOM 323 N TRP A 24 47.822 13.246 0.229 1.00 1.00 N ATOM 324 CA TRP A 24 47.243 14.390 -0.469 1.00 1.00 C ATOM 325 C TRP A 24 47.022 14.064 -1.942 1.00 1.00 C ATOM 326 O TRP A 24 46.665 14.936 -2.734 1.00 1.00 O ATOM 327 CB TRP A 24 48.169 15.601 -0.346 1.00 1.00 C ATOM 328 CG TRP A 24 49.130 15.613 -1.491 1.00 1.00 C ATOM 329 CD1 TRP A 24 50.311 14.954 -1.521 1.00 1.00 C ATOM 330 CD2 TRP A 24 49.013 16.305 -2.768 1.00 1.00 C ATOM 331 NE1 TRP A 24 50.927 15.197 -2.736 1.00 1.00 N ATOM 332 CE2 TRP A 24 50.167 16.024 -3.539 1.00 1.00 C ATOM 333 CE3 TRP A 24 48.030 17.141 -3.327 1.00 1.00 C ATOM 334 CZ2 TRP A 24 50.338 16.553 -4.819 1.00 1.00 C ATOM 335 CZ3 TRP A 24 48.199 17.674 -4.615 1.00 1.00 C ATOM 336 CH2 TRP A 24 49.351 17.381 -5.359 1.00 1.00 C ATOM 0 H TRP A 24 48.601 12.802 -0.257 1.00 1.00 H new ATOM 0 HA TRP A 24 46.281 14.621 -0.012 1.00 1.00 H new ATOM 0 HB2 TRP A 24 47.584 16.520 -0.339 1.00 1.00 H new ATOM 0 HB3 TRP A 24 48.712 15.562 0.598 1.00 1.00 H new ATOM 0 HD1 TRP A 24 50.708 14.339 -0.727 1.00 1.00 H new ATOM 0 HE1 TRP A 24 51.832 14.812 -3.006 1.00 1.00 H new ATOM 0 HE3 TRP A 24 47.140 17.375 -2.762 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 51.227 16.324 -5.388 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 47.437 18.314 -5.035 1.00 1.00 H new ATOM 0 HH2 TRP A 24 49.475 17.795 -6.349 1.00 1.00 H new ATOM 347 N LYS A 25 47.236 12.803 -2.303 1.00 1.00 N ATOM 348 CA LYS A 25 47.055 12.374 -3.685 1.00 1.00 C ATOM 349 C LYS A 25 45.788 12.987 -4.273 1.00 1.00 C ATOM 350 O LYS A 25 44.677 12.638 -3.877 1.00 1.00 O ATOM 351 CB LYS A 25 46.965 10.848 -3.752 1.00 1.00 C ATOM 352 CG LYS A 25 48.188 10.295 -4.485 1.00 1.00 C ATOM 353 CD LYS A 25 49.458 10.670 -3.718 1.00 1.00 C ATOM 354 CE LYS A 25 50.273 9.408 -3.429 1.00 1.00 C ATOM 355 NZ LYS A 25 50.452 8.634 -4.691 1.00 1.00 N ATOM 0 H LYS A 25 47.533 12.066 -1.664 1.00 1.00 H new ATOM 0 HA LYS A 25 47.913 12.712 -4.266 1.00 1.00 H new ATOM 0 HB2 LYS A 25 46.912 10.432 -2.746 1.00 1.00 H new ATOM 0 HB3 LYS A 25 46.053 10.549 -4.269 1.00 1.00 H new ATOM 0 HG2 LYS A 25 48.112 9.211 -4.575 1.00 1.00 H new ATOM 0 HG3 LYS A 25 48.230 10.697 -5.497 1.00 1.00 H new ATOM 0 HD2 LYS A 25 50.053 11.374 -4.300 1.00 1.00 H new ATOM 0 HD3 LYS A 25 49.198 11.169 -2.785 1.00 1.00 H new ATOM 0 HE2 LYS A 25 51.244 9.676 -3.013 1.00 1.00 H new ATOM 0 HE3 LYS A 25 49.765 8.796 -2.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 51.374 8.153 -4.675 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 49.694 7.927 -4.775 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 50.413 9.282 -5.504 1.00 1.00 H new ATOM 369 N SER A 26 45.963 13.903 -5.220 1.00 1.00 N ATOM 370 CA SER A 26 44.827 14.560 -5.855 1.00 1.00 C ATOM 371 C SER A 26 44.556 13.956 -7.228 1.00 1.00 C ATOM 372 O SER A 26 45.111 14.401 -8.234 1.00 1.00 O ATOM 373 CB SER A 26 45.102 16.056 -5.998 1.00 1.00 C ATOM 374 OG SER A 26 45.770 16.525 -4.835 1.00 1.00 O ATOM 0 H SER A 26 46.875 14.206 -5.563 1.00 1.00 H new ATOM 0 HA SER A 26 43.949 14.411 -5.227 1.00 1.00 H new ATOM 0 HB2 SER A 26 45.712 16.242 -6.882 1.00 1.00 H new ATOM 0 HB3 SER A 26 44.166 16.598 -6.137 1.00 1.00 H new ATOM 0 HG SER A 26 46.732 16.356 -4.920 1.00 1.00 H new ATOM 380 N SER A 27 43.701 12.940 -7.266 1.00 1.00 N ATOM 381 CA SER A 27 43.362 12.283 -8.522 1.00 1.00 C ATOM 382 C SER A 27 42.398 13.143 -9.334 1.00 1.00 C ATOM 383 O SER A 27 42.794 13.793 -10.301 1.00 1.00 O ATOM 384 CB SER A 27 42.725 10.921 -8.245 1.00 1.00 C ATOM 385 OG SER A 27 43.634 9.893 -8.616 1.00 1.00 O ATOM 0 H SER A 27 43.232 12.555 -6.446 1.00 1.00 H new ATOM 0 HA SER A 27 44.278 12.144 -9.096 1.00 1.00 H new ATOM 0 HB2 SER A 27 42.471 10.834 -7.189 1.00 1.00 H new ATOM 0 HB3 SER A 27 41.796 10.820 -8.806 1.00 1.00 H new ATOM 0 HG SER A 27 43.229 9.018 -8.438 1.00 1.00 H new ATOM 391 N GLY A 28 41.131 13.143 -8.931 1.00 1.00 N ATOM 392 CA GLY A 28 40.119 13.929 -9.627 1.00 1.00 C ATOM 393 C GLY A 28 40.260 15.411 -9.297 1.00 1.00 C ATOM 394 O GLY A 28 39.633 16.260 -9.929 1.00 1.00 O ATOM 0 H GLY A 28 40.783 12.612 -8.133 1.00 1.00 H new ATOM 0 HA2 GLY A 28 40.214 13.781 -10.703 1.00 1.00 H new ATOM 0 HA3 GLY A 28 39.125 13.582 -9.344 1.00 1.00 H new ATOM 398 N ALA A 29 41.088 15.711 -8.300 1.00 1.00 N ATOM 399 CA ALA A 29 41.310 17.093 -7.888 1.00 1.00 C ATOM 400 C ALA A 29 40.176 17.580 -6.990 1.00 1.00 C ATOM 401 O ALA A 29 39.715 18.713 -7.117 1.00 1.00 O ATOM 402 CB ALA A 29 41.414 17.999 -9.117 1.00 1.00 C ATOM 0 H ALA A 29 41.614 15.020 -7.765 1.00 1.00 H new ATOM 0 HA ALA A 29 42.244 17.134 -7.327 1.00 1.00 H new ATOM 0 HB1 ALA A 29 41.580 19.028 -8.798 1.00 1.00 H new ATOM 0 HB2 ALA A 29 42.248 17.674 -9.739 1.00 1.00 H new ATOM 0 HB3 ALA A 29 40.489 17.942 -9.691 1.00 1.00 H new ATOM 408 N LEU A 30 39.735 16.717 -6.079 1.00 1.00 N ATOM 409 CA LEU A 30 38.659 17.077 -5.161 1.00 1.00 C ATOM 410 C LEU A 30 38.701 16.210 -3.908 1.00 1.00 C ATOM 411 O LEU A 30 37.724 16.136 -3.162 1.00 1.00 O ATOM 412 CB LEU A 30 37.297 16.937 -5.857 1.00 1.00 C ATOM 413 CG LEU A 30 36.897 15.460 -5.972 1.00 1.00 C ATOM 414 CD1 LEU A 30 35.656 15.343 -6.860 1.00 1.00 C ATOM 415 CD2 LEU A 30 38.040 14.660 -6.600 1.00 1.00 C ATOM 0 H LEU A 30 40.102 15.773 -5.957 1.00 1.00 H new ATOM 0 HA LEU A 30 38.799 18.116 -4.863 1.00 1.00 H new ATOM 0 HB2 LEU A 30 36.538 17.482 -5.295 1.00 1.00 H new ATOM 0 HB3 LEU A 30 37.342 17.385 -6.850 1.00 1.00 H new ATOM 0 HG LEU A 30 36.683 15.066 -4.978 1.00 1.00 H new ATOM 0 HD11 LEU A 30 35.367 14.295 -6.945 1.00 1.00 H new ATOM 0 HD12 LEU A 30 34.837 15.910 -6.418 1.00 1.00 H new ATOM 0 HD13 LEU A 30 35.879 15.740 -7.850 1.00 1.00 H new ATOM 0 HD21 LEU A 30 37.750 13.612 -6.679 1.00 1.00 H new ATOM 0 HD22 LEU A 30 38.256 15.053 -7.594 1.00 1.00 H new ATOM 0 HD23 LEU A 30 38.929 14.744 -5.975 1.00 1.00 H new ATOM 427 N ILE A 31 39.835 15.557 -3.678 1.00 1.00 N ATOM 428 CA ILE A 31 39.984 14.703 -2.508 1.00 1.00 C ATOM 429 C ILE A 31 40.071 15.538 -1.225 1.00 1.00 C ATOM 430 O ILE A 31 39.541 15.135 -0.190 1.00 1.00 O ATOM 431 CB ILE A 31 41.224 13.804 -2.664 1.00 1.00 C ATOM 432 CG1 ILE A 31 40.791 12.453 -3.241 1.00 1.00 C ATOM 433 CG2 ILE A 31 41.902 13.572 -1.308 1.00 1.00 C ATOM 434 CD1 ILE A 31 42.006 11.740 -3.835 1.00 1.00 C ATOM 0 H ILE A 31 40.657 15.602 -4.281 1.00 1.00 H new ATOM 0 HA ILE A 31 39.102 14.068 -2.429 1.00 1.00 H new ATOM 0 HB ILE A 31 41.932 14.296 -3.331 1.00 1.00 H new ATOM 0 HG12 ILE A 31 40.341 11.839 -2.460 1.00 1.00 H new ATOM 0 HG13 ILE A 31 40.031 12.600 -4.008 1.00 1.00 H new ATOM 0 HG21 ILE A 31 42.776 12.934 -1.442 1.00 1.00 H new ATOM 0 HG22 ILE A 31 42.212 14.529 -0.888 1.00 1.00 H new ATOM 0 HG23 ILE A 31 41.200 13.088 -0.629 1.00 1.00 H new ATOM 0 HD11 ILE A 31 41.699 10.778 -4.246 1.00 1.00 H new ATOM 0 HD12 ILE A 31 42.436 12.353 -4.628 1.00 1.00 H new ATOM 0 HD13 ILE A 31 42.751 11.580 -3.056 1.00 1.00 H new ATOM 446 N PRO A 32 40.714 16.683 -1.260 1.00 1.00 N ATOM 447 CA PRO A 32 40.840 17.558 -0.057 1.00 1.00 C ATOM 448 C PRO A 32 39.478 18.019 0.452 1.00 1.00 C ATOM 449 O PRO A 32 39.347 18.470 1.590 1.00 1.00 O ATOM 450 CB PRO A 32 41.673 18.755 -0.535 1.00 1.00 C ATOM 451 CG PRO A 32 42.303 18.329 -1.819 1.00 1.00 C ATOM 452 CD PRO A 32 41.386 17.274 -2.428 1.00 1.00 C ATOM 0 HA PRO A 32 41.302 17.030 0.777 1.00 1.00 H new ATOM 0 HB2 PRO A 32 41.045 19.634 -0.681 1.00 1.00 H new ATOM 0 HB3 PRO A 32 42.430 19.023 0.202 1.00 1.00 H new ATOM 0 HG2 PRO A 32 42.418 19.177 -2.494 1.00 1.00 H new ATOM 0 HG3 PRO A 32 43.299 17.922 -1.645 1.00 1.00 H new ATOM 0 HD2 PRO A 32 40.670 17.717 -3.121 1.00 1.00 H new ATOM 0 HD3 PRO A 32 41.950 16.527 -2.987 1.00 1.00 H new ATOM 460 N ALA A 33 38.466 17.904 -0.403 1.00 1.00 N ATOM 461 CA ALA A 33 37.116 18.312 -0.036 1.00 1.00 C ATOM 462 C ALA A 33 36.377 17.169 0.652 1.00 1.00 C ATOM 463 O ALA A 33 36.283 17.126 1.878 1.00 1.00 O ATOM 464 CB ALA A 33 36.344 18.742 -1.285 1.00 1.00 C ATOM 0 H ALA A 33 38.555 17.534 -1.349 1.00 1.00 H new ATOM 0 HA ALA A 33 37.186 19.151 0.656 1.00 1.00 H new ATOM 0 HB1 ALA A 33 35.336 19.046 -1.003 1.00 1.00 H new ATOM 0 HB2 ALA A 33 36.856 19.580 -1.759 1.00 1.00 H new ATOM 0 HB3 ALA A 33 36.289 17.908 -1.984 1.00 1.00 H new ATOM 470 N ILE A 34 35.850 16.247 -0.147 1.00 1.00 N ATOM 471 CA ILE A 34 35.118 15.108 0.396 1.00 1.00 C ATOM 472 C ILE A 34 35.833 14.541 1.619 1.00 1.00 C ATOM 473 O ILE A 34 35.195 14.055 2.553 1.00 1.00 O ATOM 474 CB ILE A 34 34.980 14.015 -0.667 1.00 1.00 C ATOM 475 CG1 ILE A 34 36.102 14.158 -1.698 1.00 1.00 C ATOM 476 CG2 ILE A 34 33.627 14.154 -1.367 1.00 1.00 C ATOM 477 CD1 ILE A 34 36.286 12.831 -2.437 1.00 1.00 C ATOM 0 H ILE A 34 35.915 16.265 -1.165 1.00 1.00 H new ATOM 0 HA ILE A 34 34.127 15.451 0.694 1.00 1.00 H new ATOM 0 HB ILE A 34 35.047 13.037 -0.191 1.00 1.00 H new ATOM 0 HG12 ILE A 34 35.861 14.951 -2.406 1.00 1.00 H new ATOM 0 HG13 ILE A 34 37.031 14.443 -1.204 1.00 1.00 H new ATOM 0 HG21 ILE A 34 33.527 13.376 -2.124 1.00 1.00 H new ATOM 0 HG22 ILE A 34 32.826 14.052 -0.635 1.00 1.00 H new ATOM 0 HG23 ILE A 34 33.562 15.133 -1.842 1.00 1.00 H new ATOM 0 HD11 ILE A 34 37.085 12.931 -3.172 1.00 1.00 H new ATOM 0 HD12 ILE A 34 36.546 12.050 -1.723 1.00 1.00 H new ATOM 0 HD13 ILE A 34 35.358 12.565 -2.944 1.00 1.00 H new ATOM 489 N TYR A 35 37.160 14.606 1.609 1.00 1.00 N ATOM 490 CA TYR A 35 37.949 14.094 2.724 1.00 1.00 C ATOM 491 C TYR A 35 37.849 15.029 3.925 1.00 1.00 C ATOM 492 O TYR A 35 37.785 14.580 5.070 1.00 1.00 O ATOM 493 CB TYR A 35 39.413 13.951 2.308 1.00 1.00 C ATOM 494 CG TYR A 35 40.183 13.256 3.406 1.00 1.00 C ATOM 495 CD1 TYR A 35 40.782 14.007 4.423 1.00 1.00 C ATOM 496 CD2 TYR A 35 40.297 11.861 3.405 1.00 1.00 C ATOM 497 CE1 TYR A 35 41.496 13.363 5.441 1.00 1.00 C ATOM 498 CE2 TYR A 35 41.011 11.217 4.423 1.00 1.00 C ATOM 499 CZ TYR A 35 41.610 11.968 5.441 1.00 1.00 C ATOM 500 OH TYR A 35 42.314 11.333 6.445 1.00 1.00 O ATOM 0 H TYR A 35 37.709 15.005 0.847 1.00 1.00 H new ATOM 0 HA TYR A 35 37.555 13.117 3.004 1.00 1.00 H new ATOM 0 HB2 TYR A 35 39.485 13.381 1.382 1.00 1.00 H new ATOM 0 HB3 TYR A 35 39.844 14.933 2.112 1.00 1.00 H new ATOM 0 HD1 TYR A 35 40.694 15.083 4.423 1.00 1.00 H new ATOM 0 HD2 TYR A 35 39.835 11.282 2.620 1.00 1.00 H new ATOM 0 HE1 TYR A 35 41.959 13.943 6.226 1.00 1.00 H new ATOM 0 HE2 TYR A 35 41.100 10.141 4.423 1.00 1.00 H new ATOM 0 HH TYR A 35 42.295 10.365 6.296 1.00 1.00 H new ATOM 510 N MET A 36 37.837 16.330 3.657 1.00 1.00 N ATOM 511 CA MET A 36 37.746 17.320 4.725 1.00 1.00 C ATOM 512 C MET A 36 36.427 17.177 5.479 1.00 1.00 C ATOM 513 O MET A 36 36.371 17.376 6.692 1.00 1.00 O ATOM 514 CB MET A 36 37.852 18.730 4.141 1.00 1.00 C ATOM 515 CG MET A 36 37.411 19.752 5.191 1.00 1.00 C ATOM 516 SD MET A 36 38.211 21.342 4.859 1.00 1.00 S ATOM 517 CE MET A 36 39.769 20.993 5.710 1.00 1.00 C ATOM 0 H MET A 36 37.889 16.722 2.717 1.00 1.00 H new ATOM 0 HA MET A 36 38.568 17.152 5.420 1.00 1.00 H new ATOM 0 HB2 MET A 36 38.878 18.931 3.831 1.00 1.00 H new ATOM 0 HB3 MET A 36 37.228 18.814 3.251 1.00 1.00 H new ATOM 0 HG2 MET A 36 36.327 19.867 5.170 1.00 1.00 H new ATOM 0 HG3 MET A 36 37.675 19.401 6.189 1.00 1.00 H new ATOM 0 HE1 MET A 36 40.568 21.583 5.262 1.00 1.00 H new ATOM 0 HE2 MET A 36 39.674 21.252 6.764 1.00 1.00 H new ATOM 0 HE3 MET A 36 40.005 19.933 5.617 1.00 1.00 H new ATOM 527 N LEU A 37 35.371 16.830 4.753 1.00 1.00 N ATOM 528 CA LEU A 37 34.057 16.663 5.364 1.00 1.00 C ATOM 529 C LEU A 37 34.001 15.367 6.167 1.00 1.00 C ATOM 530 O LEU A 37 32.920 14.855 6.461 1.00 1.00 O ATOM 531 CB LEU A 37 32.976 16.643 4.283 1.00 1.00 C ATOM 532 CG LEU A 37 33.203 17.802 3.311 1.00 1.00 C ATOM 533 CD1 LEU A 37 32.098 17.807 2.253 1.00 1.00 C ATOM 534 CD2 LEU A 37 33.175 19.124 4.081 1.00 1.00 C ATOM 0 H LEU A 37 35.397 16.660 3.748 1.00 1.00 H new ATOM 0 HA LEU A 37 33.881 17.502 6.037 1.00 1.00 H new ATOM 0 HB2 LEU A 37 33.001 15.695 3.746 1.00 1.00 H new ATOM 0 HB3 LEU A 37 31.989 16.725 4.739 1.00 1.00 H new ATOM 0 HG LEU A 37 34.171 17.683 2.824 1.00 1.00 H new ATOM 0 HD11 LEU A 37 32.261 18.633 1.561 1.00 1.00 H new ATOM 0 HD12 LEU A 37 32.115 16.865 1.704 1.00 1.00 H new ATOM 0 HD13 LEU A 37 31.130 17.926 2.739 1.00 1.00 H new ATOM 0 HD21 LEU A 37 33.337 19.951 3.390 1.00 1.00 H new ATOM 0 HD22 LEU A 37 32.207 19.241 4.567 1.00 1.00 H new ATOM 0 HD23 LEU A 37 33.962 19.122 4.835 1.00 1.00 H new ATOM 546 N VAL A 38 35.169 14.843 6.521 1.00 1.00 N ATOM 547 CA VAL A 38 35.239 13.607 7.290 1.00 1.00 C ATOM 548 C VAL A 38 36.322 13.703 8.361 1.00 1.00 C ATOM 549 O VAL A 38 36.384 12.875 9.269 1.00 1.00 O ATOM 550 CB VAL A 38 35.540 12.430 6.361 1.00 1.00 C ATOM 551 CG1 VAL A 38 35.525 11.128 7.165 1.00 1.00 C ATOM 552 CG2 VAL A 38 34.476 12.362 5.265 1.00 1.00 C ATOM 0 H VAL A 38 36.074 15.252 6.290 1.00 1.00 H new ATOM 0 HA VAL A 38 34.276 13.448 7.776 1.00 1.00 H new ATOM 0 HB VAL A 38 36.522 12.567 5.908 1.00 1.00 H new ATOM 0 HG11 VAL A 38 35.739 10.289 6.503 1.00 1.00 H new ATOM 0 HG12 VAL A 38 36.282 11.175 7.948 1.00 1.00 H new ATOM 0 HG13 VAL A 38 34.543 10.991 7.618 1.00 1.00 H new ATOM 0 HG21 VAL A 38 34.689 11.523 4.602 1.00 1.00 H new ATOM 0 HG22 VAL A 38 33.494 12.225 5.719 1.00 1.00 H new ATOM 0 HG23 VAL A 38 34.485 13.289 4.692 1.00 1.00 H new ATOM 562 N PHE A 39 37.171 14.718 8.248 1.00 1.00 N ATOM 563 CA PHE A 39 38.247 14.913 9.212 1.00 1.00 C ATOM 564 C PHE A 39 37.715 15.567 10.483 1.00 1.00 C ATOM 565 O PHE A 39 37.837 15.013 11.576 1.00 1.00 O ATOM 566 CB PHE A 39 39.341 15.791 8.603 1.00 1.00 C ATOM 567 CG PHE A 39 40.259 16.285 9.697 1.00 1.00 C ATOM 568 CD1 PHE A 39 41.192 15.415 10.274 1.00 1.00 C ATOM 569 CD2 PHE A 39 40.175 17.612 10.135 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.042 15.873 11.287 1.00 1.00 C ATOM 571 CE2 PHE A 39 41.025 18.070 11.148 1.00 1.00 C ATOM 572 CZ PHE A 39 41.959 17.200 11.725 1.00 1.00 C ATOM 0 H PHE A 39 37.136 15.414 7.504 1.00 1.00 H new ATOM 0 HA PHE A 39 38.664 13.938 9.466 1.00 1.00 H new ATOM 0 HB2 PHE A 39 39.909 15.224 7.866 1.00 1.00 H new ATOM 0 HB3 PHE A 39 38.894 16.636 8.079 1.00 1.00 H new ATOM 0 HD1 PHE A 39 41.256 14.391 9.937 1.00 1.00 H new ATOM 0 HD2 PHE A 39 39.454 18.282 9.691 1.00 1.00 H new ATOM 0 HE1 PHE A 39 42.763 15.202 11.731 1.00 1.00 H new ATOM 0 HE2 PHE A 39 40.961 19.094 11.485 1.00 1.00 H new ATOM 0 HZ PHE A 39 42.615 17.553 12.507 1.00 1.00 H new ATOM 582 N LEU A 40 37.123 16.747 10.332 1.00 1.00 N ATOM 583 CA LEU A 40 36.575 17.468 11.476 1.00 1.00 C ATOM 584 C LEU A 40 35.215 16.897 11.864 1.00 1.00 C ATOM 585 O LEU A 40 34.519 17.452 12.716 1.00 1.00 O ATOM 586 CB LEU A 40 36.430 18.953 11.137 1.00 1.00 C ATOM 587 CG LEU A 40 35.508 19.113 9.927 1.00 1.00 C ATOM 588 CD1 LEU A 40 34.151 19.650 10.387 1.00 1.00 C ATOM 589 CD2 LEU A 40 36.135 20.095 8.936 1.00 1.00 C ATOM 0 H LEU A 40 37.011 17.222 9.436 1.00 1.00 H new ATOM 0 HA LEU A 40 37.259 17.354 12.317 1.00 1.00 H new ATOM 0 HB2 LEU A 40 36.023 19.494 11.991 1.00 1.00 H new ATOM 0 HB3 LEU A 40 37.407 19.385 10.922 1.00 1.00 H new ATOM 0 HG LEU A 40 35.371 18.146 9.444 1.00 1.00 H new ATOM 0 HD11 LEU A 40 33.494 19.764 9.525 1.00 1.00 H new ATOM 0 HD12 LEU A 40 33.704 18.951 11.094 1.00 1.00 H new ATOM 0 HD13 LEU A 40 34.287 20.618 10.870 1.00 1.00 H new ATOM 0 HD21 LEU A 40 35.479 20.210 8.073 1.00 1.00 H new ATOM 0 HD22 LEU A 40 36.272 21.062 9.419 1.00 1.00 H new ATOM 0 HD23 LEU A 40 37.102 19.713 8.608 1.00 1.00 H new ATOM 601 N LEU A 41 34.843 15.787 11.235 1.00 1.00 N ATOM 602 CA LEU A 41 33.564 15.147 11.521 1.00 1.00 C ATOM 603 C LEU A 41 33.739 13.639 11.665 1.00 1.00 C ATOM 604 O LEU A 41 32.766 12.905 11.833 1.00 1.00 O ATOM 605 CB LEU A 41 32.569 15.442 10.395 1.00 1.00 C ATOM 606 CG LEU A 41 31.473 16.375 10.912 1.00 1.00 C ATOM 607 CD1 LEU A 41 30.608 16.843 9.742 1.00 1.00 C ATOM 608 CD2 LEU A 41 30.598 15.627 11.923 1.00 1.00 C ATOM 0 H LEU A 41 35.405 15.314 10.528 1.00 1.00 H new ATOM 0 HA LEU A 41 33.181 15.548 12.459 1.00 1.00 H new ATOM 0 HB2 LEU A 41 33.084 15.902 9.552 1.00 1.00 H new ATOM 0 HB3 LEU A 41 32.129 14.513 10.032 1.00 1.00 H new ATOM 0 HG LEU A 41 31.931 17.238 11.395 1.00 1.00 H new ATOM 0 HD11 LEU A 41 29.827 17.508 10.110 1.00 1.00 H new ATOM 0 HD12 LEU A 41 31.228 17.376 9.021 1.00 1.00 H new ATOM 0 HD13 LEU A 41 30.151 15.979 9.259 1.00 1.00 H new ATOM 0 HD21 LEU A 41 29.817 16.293 12.291 1.00 1.00 H new ATOM 0 HD22 LEU A 41 30.141 14.764 11.440 1.00 1.00 H new ATOM 0 HD23 LEU A 41 31.213 15.292 12.758 1.00 1.00 H new ATOM 620 N GLY A 42 34.987 13.185 11.599 1.00 1.00 N ATOM 621 CA GLY A 42 35.278 11.761 11.723 1.00 1.00 C ATOM 622 C GLY A 42 35.394 11.356 13.188 1.00 1.00 C ATOM 623 O GLY A 42 34.929 10.287 13.585 1.00 1.00 O ATOM 0 H GLY A 42 35.806 13.777 11.462 1.00 1.00 H new ATOM 0 HA2 GLY A 42 34.490 11.181 11.242 1.00 1.00 H new ATOM 0 HA3 GLY A 42 36.207 11.529 11.202 1.00 1.00 H new ATOM 627 N THR A 43 36.015 12.215 13.988 1.00 1.00 N ATOM 628 CA THR A 43 36.185 11.935 15.409 1.00 1.00 C ATOM 629 C THR A 43 36.129 13.227 16.220 1.00 1.00 C ATOM 630 O THR A 43 35.546 13.265 17.304 1.00 1.00 O ATOM 631 CB THR A 43 37.527 11.238 15.648 1.00 1.00 C ATOM 632 OG1 THR A 43 37.529 10.654 16.944 1.00 1.00 O ATOM 633 CG2 THR A 43 38.660 12.258 15.545 1.00 1.00 C ATOM 0 H THR A 43 36.407 13.105 13.680 1.00 1.00 H new ATOM 0 HA THR A 43 35.374 11.281 15.731 1.00 1.00 H new ATOM 0 HB THR A 43 37.673 10.461 14.897 1.00 1.00 H new ATOM 0 HG1 THR A 43 38.386 10.206 17.099 1.00 1.00 H new ATOM 0 HG21 THR A 43 39.614 11.760 15.715 1.00 1.00 H new ATOM 0 HG22 THR A 43 38.657 12.706 14.551 1.00 1.00 H new ATOM 0 HG23 THR A 43 38.518 13.036 16.295 1.00 1.00 H new ATOM 641 N THR A 44 36.736 14.282 15.686 1.00 1.00 N ATOM 642 CA THR A 44 36.746 15.570 16.370 1.00 1.00 C ATOM 643 C THR A 44 35.323 16.062 16.605 1.00 1.00 C ATOM 644 O THR A 44 35.063 16.816 17.543 1.00 1.00 O ATOM 645 CB THR A 44 37.512 16.599 15.535 1.00 1.00 C ATOM 646 OG1 THR A 44 38.908 16.409 15.717 1.00 1.00 O ATOM 647 CG2 THR A 44 37.124 18.010 15.978 1.00 1.00 C ATOM 0 H THR A 44 37.223 14.272 14.790 1.00 1.00 H new ATOM 0 HA THR A 44 37.239 15.445 17.334 1.00 1.00 H new ATOM 0 HB THR A 44 37.262 16.471 14.482 1.00 1.00 H new ATOM 0 HG1 THR A 44 39.400 17.066 15.182 1.00 1.00 H new ATOM 0 HG21 THR A 44 37.670 18.741 15.382 1.00 1.00 H new ATOM 0 HG22 THR A 44 36.053 18.154 15.837 1.00 1.00 H new ATOM 0 HG23 THR A 44 37.372 18.142 17.031 1.00 1.00 H new ATOM 655 N GLY A 45 34.404 15.628 15.750 1.00 1.00 N ATOM 656 CA GLY A 45 33.008 16.028 15.873 1.00 1.00 C ATOM 657 C GLY A 45 32.201 14.968 16.612 1.00 1.00 C ATOM 658 O GLY A 45 31.072 14.656 16.231 1.00 1.00 O ATOM 0 H GLY A 45 34.599 15.003 14.968 1.00 1.00 H new ATOM 0 HA2 GLY A 45 32.943 16.977 16.406 1.00 1.00 H new ATOM 0 HA3 GLY A 45 32.583 16.189 14.882 1.00 1.00 H new ATOM 662 N ASN A 46 32.788 14.415 17.667 1.00 1.00 N ATOM 663 CA ASN A 46 32.112 13.386 18.449 1.00 1.00 C ATOM 664 C ASN A 46 32.411 13.554 19.935 1.00 1.00 C ATOM 665 O ASN A 46 31.554 13.297 20.781 1.00 1.00 O ATOM 666 CB ASN A 46 32.568 12.002 17.987 1.00 1.00 C ATOM 667 CG ASN A 46 33.370 11.322 19.091 1.00 1.00 C ATOM 668 OD1 ASN A 46 32.826 10.520 19.849 1.00 1.00 O ATOM 669 ND2 ASN A 46 34.637 11.599 19.230 1.00 1.00 N ATOM 0 H ASN A 46 33.721 14.658 17.999 1.00 1.00 H new ATOM 0 HA ASN A 46 31.037 13.487 18.296 1.00 1.00 H new ATOM 0 HB2 ASN A 46 31.702 11.393 17.727 1.00 1.00 H new ATOM 0 HB3 ASN A 46 33.176 12.092 17.087 1.00 1.00 H new ATOM 0 HD21 ASN A 46 35.179 11.150 19.968 1.00 1.00 H new ATOM 0 HD22 ASN A 46 35.086 12.264 18.600 1.00 1.00 H new ATOM 676 N GLY A 47 33.629 13.986 20.246 1.00 1.00 N ATOM 677 CA GLY A 47 34.029 14.188 21.634 1.00 1.00 C ATOM 678 C GLY A 47 34.765 15.512 21.795 1.00 1.00 C ATOM 679 O GLY A 47 34.424 16.500 21.149 1.00 1.00 O ATOM 0 H GLY A 47 34.352 14.202 19.560 1.00 1.00 H new ATOM 0 HA2 GLY A 47 33.149 14.175 22.277 1.00 1.00 H new ATOM 0 HA3 GLY A 47 34.671 13.368 21.956 1.00 1.00 H new ATOM 683 N LEU A 48 35.776 15.518 22.659 1.00 1.00 N ATOM 684 CA LEU A 48 36.569 16.721 22.907 1.00 1.00 C ATOM 685 C LEU A 48 35.701 17.848 23.465 1.00 1.00 C ATOM 686 O LEU A 48 35.857 18.244 24.620 1.00 1.00 O ATOM 687 CB LEU A 48 37.250 17.184 21.615 1.00 1.00 C ATOM 688 CG LEU A 48 38.029 16.020 21.001 1.00 1.00 C ATOM 689 CD1 LEU A 48 38.666 16.469 19.685 1.00 1.00 C ATOM 690 CD2 LEU A 48 39.129 15.568 21.968 1.00 1.00 C ATOM 0 H LEU A 48 36.067 14.704 23.200 1.00 1.00 H new ATOM 0 HA LEU A 48 37.330 16.473 23.647 1.00 1.00 H new ATOM 0 HB2 LEU A 48 36.504 17.548 20.909 1.00 1.00 H new ATOM 0 HB3 LEU A 48 37.923 18.015 21.824 1.00 1.00 H new ATOM 0 HG LEU A 48 37.347 15.191 20.813 1.00 1.00 H new ATOM 0 HD11 LEU A 48 39.221 15.639 19.248 1.00 1.00 H new ATOM 0 HD12 LEU A 48 37.886 16.788 18.994 1.00 1.00 H new ATOM 0 HD13 LEU A 48 39.345 17.300 19.875 1.00 1.00 H new ATOM 0 HD21 LEU A 48 39.682 14.738 21.528 1.00 1.00 H new ATOM 0 HD22 LEU A 48 39.810 16.398 22.158 1.00 1.00 H new ATOM 0 HD23 LEU A 48 38.678 15.246 22.907 1.00 1.00 H new ATOM 702 N VAL A 49 34.795 18.367 22.642 1.00 1.00 N ATOM 703 CA VAL A 49 33.919 19.454 23.070 1.00 1.00 C ATOM 704 C VAL A 49 32.880 18.958 24.076 1.00 1.00 C ATOM 705 O VAL A 49 31.781 19.505 24.165 1.00 1.00 O ATOM 706 CB VAL A 49 33.210 20.061 21.855 1.00 1.00 C ATOM 707 CG1 VAL A 49 32.221 19.045 21.280 1.00 1.00 C ATOM 708 CG2 VAL A 49 32.450 21.326 22.272 1.00 1.00 C ATOM 0 H VAL A 49 34.648 18.056 21.682 1.00 1.00 H new ATOM 0 HA VAL A 49 34.532 20.214 23.554 1.00 1.00 H new ATOM 0 HB VAL A 49 33.953 20.319 21.101 1.00 1.00 H new ATOM 0 HG11 VAL A 49 31.717 19.477 20.416 1.00 1.00 H new ATOM 0 HG12 VAL A 49 32.758 18.147 20.975 1.00 1.00 H new ATOM 0 HG13 VAL A 49 31.483 18.786 22.039 1.00 1.00 H new ATOM 0 HG21 VAL A 49 31.948 21.752 21.403 1.00 1.00 H new ATOM 0 HG22 VAL A 49 31.709 21.072 23.030 1.00 1.00 H new ATOM 0 HG23 VAL A 49 33.151 22.054 22.679 1.00 1.00 H new ATOM 718 N LEU A 50 33.237 17.926 24.836 1.00 1.00 N ATOM 719 CA LEU A 50 32.327 17.371 25.834 1.00 1.00 C ATOM 720 C LEU A 50 33.026 16.287 26.650 1.00 1.00 C ATOM 721 O LEU A 50 32.728 16.096 27.829 1.00 1.00 O ATOM 722 CB LEU A 50 31.089 16.779 25.156 1.00 1.00 C ATOM 723 CG LEU A 50 31.511 15.697 24.162 1.00 1.00 C ATOM 724 CD1 LEU A 50 31.232 14.316 24.759 1.00 1.00 C ATOM 725 CD2 LEU A 50 30.715 15.860 22.866 1.00 1.00 C ATOM 0 H LEU A 50 34.143 17.460 24.781 1.00 1.00 H new ATOM 0 HA LEU A 50 32.021 18.178 26.500 1.00 1.00 H new ATOM 0 HB2 LEU A 50 30.420 16.356 25.905 1.00 1.00 H new ATOM 0 HB3 LEU A 50 30.535 17.564 24.640 1.00 1.00 H new ATOM 0 HG LEU A 50 32.576 15.793 23.952 1.00 1.00 H new ATOM 0 HD11 LEU A 50 31.533 13.545 24.050 1.00 1.00 H new ATOM 0 HD12 LEU A 50 31.797 14.199 25.684 1.00 1.00 H new ATOM 0 HD13 LEU A 50 30.167 14.219 24.970 1.00 1.00 H new ATOM 0 HD21 LEU A 50 31.014 15.089 22.156 1.00 1.00 H new ATOM 0 HD22 LEU A 50 29.650 15.764 23.078 1.00 1.00 H new ATOM 0 HD23 LEU A 50 30.912 16.843 22.439 1.00 1.00 H new ATOM 737 N TRP A 51 33.952 15.580 26.013 1.00 1.00 N ATOM 738 CA TRP A 51 34.685 14.515 26.688 1.00 1.00 C ATOM 739 C TRP A 51 35.905 15.079 27.413 1.00 1.00 C ATOM 740 O TRP A 51 35.869 15.300 28.624 1.00 1.00 O ATOM 741 CB TRP A 51 35.123 13.458 25.667 1.00 1.00 C ATOM 742 CG TRP A 51 36.355 12.759 26.150 1.00 1.00 C ATOM 743 CD1 TRP A 51 36.548 12.299 27.407 1.00 1.00 C ATOM 744 CD2 TRP A 51 37.565 12.437 25.405 1.00 1.00 C ATOM 745 NE1 TRP A 51 37.800 11.714 27.482 1.00 1.00 N ATOM 746 CE2 TRP A 51 38.465 11.775 26.273 1.00 1.00 C ATOM 747 CE3 TRP A 51 37.965 12.653 24.074 1.00 1.00 C ATOM 748 CZ2 TRP A 51 39.717 11.342 25.835 1.00 1.00 C ATOM 749 CZ3 TRP A 51 39.225 12.219 23.631 1.00 1.00 C ATOM 750 CH2 TRP A 51 40.099 11.565 24.510 1.00 1.00 C ATOM 0 H TRP A 51 34.212 15.723 25.037 1.00 1.00 H new ATOM 0 HA TRP A 51 34.029 14.052 27.425 1.00 1.00 H new ATOM 0 HB2 TRP A 51 34.322 12.735 25.513 1.00 1.00 H new ATOM 0 HB3 TRP A 51 35.317 13.929 24.703 1.00 1.00 H new ATOM 0 HD1 TRP A 51 35.841 12.376 28.220 1.00 1.00 H new ATOM 0 HE1 TRP A 51 38.184 11.290 28.326 1.00 1.00 H new ATOM 0 HE3 TRP A 51 37.299 13.156 23.388 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 40.386 10.838 26.516 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 39.522 12.390 22.607 1.00 1.00 H new ATOM 0 HH2 TRP A 51 41.067 11.234 24.163 1.00 1.00 H new ATOM 761 N THR A 52 36.983 15.305 26.671 1.00 1.00 N ATOM 762 CA THR A 52 38.207 15.837 27.262 1.00 1.00 C ATOM 763 C THR A 52 37.923 17.133 28.015 1.00 1.00 C ATOM 764 O THR A 52 38.769 17.628 28.759 1.00 1.00 O ATOM 765 CB THR A 52 39.251 16.087 26.169 1.00 1.00 C ATOM 766 OG1 THR A 52 40.552 15.946 26.722 1.00 1.00 O ATOM 767 CG2 THR A 52 39.085 17.498 25.601 1.00 1.00 C ATOM 0 H THR A 52 37.036 15.130 25.667 1.00 1.00 H new ATOM 0 HA THR A 52 38.595 15.104 27.969 1.00 1.00 H new ATOM 0 HB THR A 52 39.113 15.363 25.366 1.00 1.00 H new ATOM 0 HG1 THR A 52 41.223 16.104 26.025 1.00 1.00 H new ATOM 0 HG21 THR A 52 39.831 17.668 24.825 1.00 1.00 H new ATOM 0 HG22 THR A 52 38.087 17.604 25.175 1.00 1.00 H new ATOM 0 HG23 THR A 52 39.218 18.229 26.398 1.00 1.00 H new ATOM 775 N VAL A 53 36.727 17.678 27.815 1.00 1.00 N ATOM 776 CA VAL A 53 36.343 18.918 28.480 1.00 1.00 C ATOM 777 C VAL A 53 35.638 18.622 29.801 1.00 1.00 C ATOM 778 O VAL A 53 35.759 19.379 30.763 1.00 1.00 O ATOM 779 CB VAL A 53 35.415 19.731 27.577 1.00 1.00 C ATOM 780 CG1 VAL A 53 34.624 20.731 28.422 1.00 1.00 C ATOM 781 CG2 VAL A 53 36.250 20.488 26.541 1.00 1.00 C ATOM 0 H VAL A 53 36.012 17.284 27.203 1.00 1.00 H new ATOM 0 HA VAL A 53 37.247 19.493 28.683 1.00 1.00 H new ATOM 0 HB VAL A 53 34.723 19.059 27.069 1.00 1.00 H new ATOM 0 HG11 VAL A 53 33.963 21.310 27.777 1.00 1.00 H new ATOM 0 HG12 VAL A 53 34.030 20.193 29.161 1.00 1.00 H new ATOM 0 HG13 VAL A 53 35.314 21.404 28.931 1.00 1.00 H new ATOM 0 HG21 VAL A 53 35.590 21.068 25.896 1.00 1.00 H new ATOM 0 HG22 VAL A 53 36.941 21.159 27.051 1.00 1.00 H new ATOM 0 HG23 VAL A 53 36.814 19.776 25.938 1.00 1.00 H new ATOM 791 N PHE A 54 34.901 17.516 29.838 1.00 1.00 N ATOM 792 CA PHE A 54 34.181 17.130 31.047 1.00 1.00 C ATOM 793 C PHE A 54 35.157 16.712 32.142 1.00 1.00 C ATOM 794 O PHE A 54 34.757 16.457 33.279 1.00 1.00 O ATOM 795 CB PHE A 54 33.228 15.974 30.740 1.00 1.00 C ATOM 796 CG PHE A 54 32.708 15.391 32.033 1.00 1.00 C ATOM 797 CD1 PHE A 54 31.747 16.086 32.777 1.00 1.00 C ATOM 798 CD2 PHE A 54 33.186 14.156 32.486 1.00 1.00 C ATOM 799 CE1 PHE A 54 31.264 15.546 33.975 1.00 1.00 C ATOM 800 CE2 PHE A 54 32.703 13.616 33.684 1.00 1.00 C ATOM 801 CZ PHE A 54 31.743 14.310 34.429 1.00 1.00 C ATOM 0 H PHE A 54 34.787 16.876 29.052 1.00 1.00 H new ATOM 0 HA PHE A 54 33.608 17.989 31.397 1.00 1.00 H new ATOM 0 HB2 PHE A 54 32.398 16.326 30.128 1.00 1.00 H new ATOM 0 HB3 PHE A 54 33.745 15.206 30.165 1.00 1.00 H new ATOM 0 HD1 PHE A 54 31.378 17.039 32.427 1.00 1.00 H new ATOM 0 HD2 PHE A 54 33.927 13.620 31.912 1.00 1.00 H new ATOM 0 HE1 PHE A 54 30.523 16.082 34.549 1.00 1.00 H new ATOM 0 HE2 PHE A 54 33.072 12.663 34.034 1.00 1.00 H new ATOM 0 HZ PHE A 54 31.371 13.893 35.353 1.00 1.00 H new ATOM 811 N ARG A 55 36.438 16.645 31.794 1.00 1.00 N ATOM 812 CA ARG A 55 37.462 16.256 32.756 1.00 1.00 C ATOM 813 C ARG A 55 38.071 17.489 33.415 1.00 1.00 C ATOM 814 O ARG A 55 38.456 17.454 34.584 1.00 1.00 O ATOM 815 CB ARG A 55 38.564 15.451 32.062 1.00 1.00 C ATOM 816 CG ARG A 55 38.010 14.792 30.795 1.00 1.00 C ATOM 817 CD ARG A 55 36.797 13.931 31.149 1.00 1.00 C ATOM 818 NE ARG A 55 36.830 12.681 30.400 1.00 1.00 N ATOM 819 CZ ARG A 55 36.146 11.617 30.805 1.00 1.00 C ATOM 820 NH1 ARG A 55 35.429 11.679 31.894 1.00 1.00 N ATOM 821 NH2 ARG A 55 36.192 10.509 30.117 1.00 1.00 N ATOM 0 H ARG A 55 36.790 16.853 30.860 1.00 1.00 H new ATOM 0 HA ARG A 55 36.993 15.638 33.522 1.00 1.00 H new ATOM 0 HB2 ARG A 55 39.398 16.105 31.807 1.00 1.00 H new ATOM 0 HB3 ARG A 55 38.951 14.689 32.739 1.00 1.00 H new ATOM 0 HG2 ARG A 55 37.727 15.556 30.071 1.00 1.00 H new ATOM 0 HG3 ARG A 55 38.779 14.178 30.327 1.00 1.00 H new ATOM 0 HD2 ARG A 55 36.790 13.722 32.219 1.00 1.00 H new ATOM 0 HD3 ARG A 55 35.879 14.474 30.924 1.00 1.00 H new ATOM 0 HE ARG A 55 37.389 12.622 29.549 1.00 1.00 H new ATOM 0 HH11 ARG A 55 35.394 12.544 32.433 1.00 1.00 H new ATOM 0 HH12 ARG A 55 34.903 10.862 32.206 1.00 1.00 H new ATOM 0 HH21 ARG A 55 36.754 10.459 29.267 1.00 1.00 H new ATOM 0 HH22 ARG A 55 35.666 9.693 30.429 1.00 1.00 H new ATOM 835 N LYS A 56 38.155 18.578 32.659 1.00 1.00 N ATOM 836 CA LYS A 56 38.720 19.817 33.181 1.00 1.00 C ATOM 837 C LYS A 56 37.692 20.558 34.028 1.00 1.00 C ATOM 838 O LYS A 56 37.830 20.651 35.248 1.00 1.00 O ATOM 839 CB LYS A 56 39.173 20.712 32.025 1.00 1.00 C ATOM 840 CG LYS A 56 40.004 19.890 31.038 1.00 1.00 C ATOM 841 CD LYS A 56 40.820 20.831 30.150 1.00 1.00 C ATOM 842 CE LYS A 56 41.693 20.009 29.201 1.00 1.00 C ATOM 843 NZ LYS A 56 43.061 19.873 29.776 1.00 1.00 N ATOM 0 H LYS A 56 37.842 18.629 31.690 1.00 1.00 H new ATOM 0 HA LYS A 56 39.578 19.569 33.806 1.00 1.00 H new ATOM 0 HB2 LYS A 56 38.306 21.138 31.520 1.00 1.00 H new ATOM 0 HB3 LYS A 56 39.762 21.546 32.406 1.00 1.00 H new ATOM 0 HG2 LYS A 56 40.668 19.216 31.579 1.00 1.00 H new ATOM 0 HG3 LYS A 56 39.351 19.269 30.425 1.00 1.00 H new ATOM 0 HD2 LYS A 56 40.154 21.478 29.579 1.00 1.00 H new ATOM 0 HD3 LYS A 56 41.444 21.479 30.766 1.00 1.00 H new ATOM 0 HE2 LYS A 56 41.253 19.024 29.046 1.00 1.00 H new ATOM 0 HE3 LYS A 56 41.743 20.493 28.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 43.655 19.314 29.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 43.480 20.816 29.902 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 43.004 19.393 30.697 1.00 1.00 H new ATOM 857 N LYS A 57 36.661 21.082 33.374 1.00 1.00 N ATOM 858 CA LYS A 57 35.612 21.813 34.075 1.00 1.00 C ATOM 859 C LYS A 57 36.210 22.705 35.158 1.00 1.00 C ATOM 860 O LYS A 57 35.539 23.052 36.131 1.00 1.00 O ATOM 861 CB LYS A 57 34.626 20.828 34.708 1.00 1.00 C ATOM 862 CG LYS A 57 33.193 21.210 34.325 1.00 1.00 C ATOM 863 CD LYS A 57 32.943 20.861 32.856 1.00 1.00 C ATOM 864 CE LYS A 57 32.209 22.016 32.173 1.00 1.00 C ATOM 865 NZ LYS A 57 33.158 23.140 31.940 1.00 1.00 N ATOM 0 H LYS A 57 36.529 21.015 32.365 1.00 1.00 H new ATOM 0 HA LYS A 57 35.088 22.441 33.354 1.00 1.00 H new ATOM 0 HB2 LYS A 57 34.844 19.814 34.372 1.00 1.00 H new ATOM 0 HB3 LYS A 57 34.736 20.835 35.792 1.00 1.00 H new ATOM 0 HG2 LYS A 57 32.483 20.681 34.961 1.00 1.00 H new ATOM 0 HG3 LYS A 57 33.034 22.276 34.488 1.00 1.00 H new ATOM 0 HD2 LYS A 57 33.890 20.669 32.351 1.00 1.00 H new ATOM 0 HD3 LYS A 57 32.352 19.948 32.784 1.00 1.00 H new ATOM 0 HE2 LYS A 57 31.785 21.682 31.226 1.00 1.00 H new ATOM 0 HE3 LYS A 57 31.378 22.351 32.794 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 32.735 23.819 31.276 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 33.359 23.617 32.842 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 34.043 22.769 31.540 1.00 1.00 H new ATOM 879 N GLY A 58 37.475 23.074 34.983 1.00 1.00 N ATOM 880 CA GLY A 58 38.151 23.927 35.953 1.00 1.00 C ATOM 881 C GLY A 58 37.522 25.315 35.990 1.00 1.00 C ATOM 882 O GLY A 58 38.138 26.298 35.579 1.00 1.00 O ATOM 0 H GLY A 58 38.048 22.798 34.186 1.00 1.00 H new ATOM 0 HA2 GLY A 58 38.097 23.473 36.942 1.00 1.00 H new ATOM 0 HA3 GLY A 58 39.207 24.009 35.697 1.00 1.00 H new ATOM 886 N HIS A 59 36.289 25.387 36.483 1.00 1.00 N ATOM 887 CA HIS A 59 35.584 26.661 36.567 1.00 1.00 C ATOM 888 C HIS A 59 35.689 27.417 35.247 1.00 1.00 C ATOM 889 O HIS A 59 35.679 28.648 35.223 1.00 1.00 O ATOM 890 CB HIS A 59 36.174 27.510 37.695 1.00 1.00 C ATOM 891 CG HIS A 59 36.278 26.679 38.944 1.00 1.00 C ATOM 892 ND1 HIS A 59 35.800 25.431 39.258 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 36.950 27.120 40.072 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 36.167 25.101 40.559 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 36.859 26.154 41.004 1.00 1.00 N flip ATOM 0 H HIS A 59 35.761 24.585 36.828 1.00 1.00 H new ATOM 0 HA HIS A 59 34.533 26.462 36.776 1.00 1.00 H new ATOM 0 HB2 HIS A 59 37.158 27.881 37.409 1.00 1.00 H new ATOM 0 HB3 HIS A 59 35.545 28.382 37.876 1.00 1.00 H new ATOM 0 HD2 HIS A 59 37.456 28.068 40.183 1.00 1.00 H new ATOM 0 HE1 HIS A 59 35.941 24.190 41.094 1.00 1.00 H new ATOM 0 HE2 HIS A 59 37.268 26.218 41.936 1.00 1.00 H new ATOM 903 N HIS A 60 35.789 26.672 34.152 1.00 1.00 N ATOM 904 CA HIS A 60 35.896 27.281 32.831 1.00 1.00 C ATOM 905 C HIS A 60 35.958 26.206 31.750 1.00 1.00 C ATOM 906 O HIS A 60 36.063 25.017 32.050 1.00 1.00 O ATOM 907 CB HIS A 60 37.148 28.155 32.758 1.00 1.00 C ATOM 908 CG HIS A 60 36.752 29.604 32.802 1.00 1.00 C ATOM 909 ND1 HIS A 60 35.894 30.165 31.870 1.00 1.00 N ATOM 910 CD2 HIS A 60 37.090 30.622 33.661 1.00 1.00 C ATOM 911 CE1 HIS A 60 35.743 31.465 32.186 1.00 1.00 C ATOM 912 NE2 HIS A 60 36.452 31.795 33.270 1.00 1.00 N ATOM 0 H HIS A 60 35.798 25.652 34.152 1.00 1.00 H new ATOM 0 HA HIS A 60 35.014 27.899 32.663 1.00 1.00 H new ATOM 0 HB2 HIS A 60 37.814 27.924 33.589 1.00 1.00 H new ATOM 0 HB3 HIS A 60 37.698 27.945 31.841 1.00 1.00 H new ATOM 0 HD2 HIS A 60 37.750 30.526 34.510 1.00 1.00 H new ATOM 0 HE1 HIS A 60 35.125 32.156 31.632 1.00 1.00 H new ATOM 0 HE2 HIS A 60 36.512 32.711 33.715 1.00 1.00 H new ATOM 920 N HIS A 61 35.893 26.632 30.494 1.00 1.00 N ATOM 921 CA HIS A 61 35.943 25.697 29.377 1.00 1.00 C ATOM 922 C HIS A 61 37.368 25.196 29.160 1.00 1.00 C ATOM 923 O HIS A 61 37.579 24.069 28.712 1.00 1.00 O ATOM 924 CB HIS A 61 35.441 26.378 28.102 1.00 1.00 C ATOM 925 CG HIS A 61 33.956 26.180 27.979 1.00 1.00 C ATOM 926 ND1 HIS A 61 33.082 27.240 27.787 1.00 1.00 N ATOM 927 CD2 HIS A 61 33.173 25.052 28.017 1.00 1.00 C ATOM 928 CE1 HIS A 61 31.838 26.732 27.718 1.00 1.00 C ATOM 929 NE2 HIS A 61 31.836 25.403 27.851 1.00 1.00 N ATOM 0 H HIS A 61 35.806 27.612 30.225 1.00 1.00 H new ATOM 0 HA HIS A 61 35.302 24.847 29.611 1.00 1.00 H new ATOM 0 HB2 HIS A 61 35.676 27.442 28.129 1.00 1.00 H new ATOM 0 HB3 HIS A 61 35.947 25.962 27.231 1.00 1.00 H new ATOM 0 HD2 HIS A 61 33.539 24.045 28.155 1.00 1.00 H new ATOM 0 HE1 HIS A 61 30.948 27.327 27.573 1.00 1.00 H new ATOM 0 HE2 HIS A 61 31.029 24.780 27.835 1.00 1.00 H new ATOM 937 N HIS A 62 38.341 26.042 29.482 1.00 1.00 N ATOM 938 CA HIS A 62 39.744 25.674 29.319 1.00 1.00 C ATOM 939 C HIS A 62 40.640 26.605 30.131 1.00 1.00 C ATOM 940 O HIS A 62 40.170 27.578 30.719 1.00 1.00 O ATOM 941 CB HIS A 62 40.134 25.748 27.841 1.00 1.00 C ATOM 942 CG HIS A 62 40.183 27.186 27.406 1.00 1.00 C ATOM 943 ND1 HIS A 62 39.165 28.082 27.696 1.00 1.00 N ATOM 944 CD2 HIS A 62 41.120 27.900 26.701 1.00 1.00 C ATOM 945 CE1 HIS A 62 39.510 29.272 27.173 1.00 1.00 C ATOM 946 NE2 HIS A 62 40.693 29.217 26.555 1.00 1.00 N ATOM 0 H HIS A 62 38.187 26.979 29.854 1.00 1.00 H new ATOM 0 HA HIS A 62 39.878 24.654 29.680 1.00 1.00 H new ATOM 0 HB2 HIS A 62 41.105 25.277 27.686 1.00 1.00 H new ATOM 0 HB3 HIS A 62 39.413 25.198 27.236 1.00 1.00 H new ATOM 0 HD2 HIS A 62 42.047 27.501 26.318 1.00 1.00 H new ATOM 0 HE1 HIS A 62 38.904 30.163 27.244 1.00 1.00 H new ATOM 0 HE2 HIS A 62 41.179 29.977 26.079 1.00 1.00 H new ATOM 954 N HIS A 63 41.932 26.297 30.157 1.00 1.00 N ATOM 955 CA HIS A 63 42.886 27.114 30.901 1.00 1.00 C ATOM 956 C HIS A 63 44.310 26.834 30.431 1.00 1.00 C ATOM 957 O HIS A 63 45.227 26.707 31.242 1.00 1.00 O ATOM 958 CB HIS A 63 42.773 26.817 32.397 1.00 1.00 C ATOM 959 CG HIS A 63 43.301 27.986 33.181 1.00 1.00 C ATOM 960 ND1 HIS A 63 44.165 28.918 32.629 1.00 1.00 N ATOM 961 CD2 HIS A 63 43.096 28.388 34.478 1.00 1.00 C ATOM 962 CE1 HIS A 63 44.448 29.826 33.581 1.00 1.00 C ATOM 963 NE2 HIS A 63 43.821 29.550 34.728 1.00 1.00 N ATOM 0 H HIS A 63 42.341 25.495 29.677 1.00 1.00 H new ATOM 0 HA HIS A 63 42.655 28.164 30.721 1.00 1.00 H new ATOM 0 HB2 HIS A 63 41.733 26.627 32.663 1.00 1.00 H new ATOM 0 HB3 HIS A 63 43.335 25.916 32.643 1.00 1.00 H new ATOM 0 HD2 HIS A 63 42.468 27.880 35.195 1.00 1.00 H new ATOM 0 HE1 HIS A 63 45.102 30.673 33.436 1.00 1.00 H new ATOM 0 HE2 HIS A 63 43.864 30.078 35.600 1.00 1.00 H new ATOM 971 N HIS A 64 44.487 26.740 29.117 1.00 1.00 N ATOM 972 CA HIS A 64 45.805 26.475 28.551 1.00 1.00 C ATOM 973 C HIS A 64 46.791 27.566 28.957 1.00 1.00 C ATOM 974 O HIS A 64 46.484 28.302 29.879 1.00 1.00 O ATOM 975 CB HIS A 64 45.715 26.409 27.026 1.00 1.00 C ATOM 976 CG HIS A 64 44.703 25.370 26.627 1.00 1.00 C ATOM 977 ND1 HIS A 64 44.502 24.214 27.364 1.00 1.00 N ATOM 978 CD2 HIS A 64 43.827 25.299 25.573 1.00 1.00 C ATOM 979 CE1 HIS A 64 43.541 23.501 26.749 1.00 1.00 C ATOM 980 NE2 HIS A 64 43.095 24.118 25.651 1.00 1.00 N ATOM 981 OXT HIS A 64 47.841 27.647 28.340 1.00 1.00 O ATOM 0 H HIS A 64 43.741 26.842 28.429 1.00 1.00 H new ATOM 0 HA HIS A 64 46.159 25.519 28.936 1.00 1.00 H new ATOM 0 HB2 HIS A 64 45.430 27.382 26.626 1.00 1.00 H new ATOM 0 HB3 HIS A 64 46.690 26.164 26.604 1.00 1.00 H new ATOM 0 HD2 HIS A 64 43.722 26.046 24.800 1.00 1.00 H new ATOM 0 HE1 HIS A 64 43.175 22.547 27.100 1.00 1.00 H new ATOM 0 HE2 HIS A 64 42.373 23.793 25.008 1.00 1.00 H new TER 989 HIS A 64