USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.887 K(o=-0.89,f=-2.1!) 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= -1.66! K(o=-1.7!,f=-1) USER MOD Single : A 16 GLN : amide:sc= -13.7! C(o=-14!,f=-20!) USER MOD Single : A 17 SER OG : rot 100:sc= -0.528! 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 -67:sc= 0.292 USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 0.0102 (180deg=-2.46!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 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 -178:sc= 0 (180deg=-0.0033) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.302! USER MOD Single : A 44 THR OG1 : rot -60:sc= 1.15 USER MOD Single : A 46 ASN : amide:sc= -4.31! K(o=-4.3!,f=-1.6) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.044) USER MOD Single : A 61 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-2.5) USER MOD Single : A 62 HIS : no HE2:sc= -0.875 K(o=-0.88,f=-2.5!) USER MOD Single : A 63 HIS : no HD1:sc= -1.31! C(o=-1.3!,f=-2.2!) USER MOD Single : A 64 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 39.276 -38.958 -33.292 1.00 1.00 N ATOM 2 CA MET A 1 39.169 -37.896 -32.252 1.00 1.00 C ATOM 3 C MET A 1 40.445 -37.060 -32.249 1.00 1.00 C ATOM 4 O MET A 1 41.542 -37.586 -32.068 1.00 1.00 O ATOM 5 CB MET A 1 38.970 -38.549 -30.882 1.00 1.00 C ATOM 6 CG MET A 1 37.478 -38.800 -30.648 1.00 1.00 C ATOM 7 SD MET A 1 36.723 -37.319 -29.932 1.00 1.00 S ATOM 8 CE MET A 1 37.004 -37.739 -28.194 1.00 1.00 C ATOM 0 H1 MET A 1 38.407 -39.529 -33.296 1.00 1.00 H new ATOM 0 H2 MET A 1 39.405 -38.518 -34.225 1.00 1.00 H new ATOM 0 H3 MET A 1 40.091 -39.569 -33.082 1.00 1.00 H new ATOM 0 HA MET A 1 38.319 -37.250 -32.470 1.00 1.00 H new ATOM 0 HB2 MET A 1 39.520 -39.489 -30.832 1.00 1.00 H new ATOM 0 HB3 MET A 1 39.368 -37.904 -30.099 1.00 1.00 H new ATOM 0 HG2 MET A 1 36.989 -39.052 -31.589 1.00 1.00 H new ATOM 0 HG3 MET A 1 37.342 -39.650 -29.980 1.00 1.00 H new ATOM 0 HE1 MET A 1 36.608 -36.946 -27.559 1.00 1.00 H new ATOM 0 HE2 MET A 1 36.500 -38.677 -27.960 1.00 1.00 H new ATOM 0 HE3 MET A 1 38.074 -37.848 -28.014 1.00 1.00 H new ATOM 20 N GLU A 2 40.291 -35.756 -32.452 1.00 1.00 N ATOM 21 CA GLU A 2 41.437 -34.856 -32.471 1.00 1.00 C ATOM 22 C GLU A 2 41.929 -34.584 -31.053 1.00 1.00 C ATOM 23 O GLU A 2 41.212 -34.007 -30.237 1.00 1.00 O ATOM 24 CB GLU A 2 41.055 -33.536 -33.142 1.00 1.00 C ATOM 25 CG GLU A 2 40.552 -33.811 -34.560 1.00 1.00 C ATOM 26 CD GLU A 2 39.082 -33.422 -34.677 1.00 1.00 C ATOM 27 OE1 GLU A 2 38.252 -34.170 -34.187 1.00 1.00 O ATOM 28 OE2 GLU A 2 38.807 -32.384 -35.255 1.00 1.00 O ATOM 0 H GLU A 2 39.391 -35.302 -32.605 1.00 1.00 H new ATOM 0 HA GLU A 2 42.238 -35.332 -33.037 1.00 1.00 H new ATOM 0 HB2 GLU A 2 40.282 -33.031 -32.562 1.00 1.00 H new ATOM 0 HB3 GLU A 2 41.917 -32.869 -33.173 1.00 1.00 H new ATOM 0 HG2 GLU A 2 41.144 -33.247 -35.281 1.00 1.00 H new ATOM 0 HG3 GLU A 2 40.678 -34.867 -34.801 1.00 1.00 H new ATOM 35 N GLU A 3 43.157 -35.005 -30.767 1.00 1.00 N ATOM 36 CA GLU A 3 43.735 -34.801 -29.443 1.00 1.00 C ATOM 37 C GLU A 3 44.593 -33.541 -29.421 1.00 1.00 C ATOM 38 O GLU A 3 45.436 -33.368 -28.541 1.00 1.00 O ATOM 39 CB GLU A 3 44.588 -36.009 -29.055 1.00 1.00 C ATOM 40 CG GLU A 3 43.683 -37.216 -28.806 1.00 1.00 C ATOM 41 CD GLU A 3 44.512 -38.496 -28.787 1.00 1.00 C ATOM 42 OE1 GLU A 3 45.727 -38.392 -28.839 1.00 1.00 O ATOM 43 OE2 GLU A 3 43.921 -39.561 -28.719 1.00 1.00 O ATOM 0 H GLU A 3 43.767 -35.486 -31.428 1.00 1.00 H new ATOM 0 HA GLU A 3 42.922 -34.685 -28.726 1.00 1.00 H new ATOM 0 HB2 GLU A 3 45.301 -36.234 -29.848 1.00 1.00 H new ATOM 0 HB3 GLU A 3 45.168 -35.785 -28.159 1.00 1.00 H new ATOM 0 HG2 GLU A 3 43.159 -37.098 -27.857 1.00 1.00 H new ATOM 0 HG3 GLU A 3 42.923 -37.277 -29.585 1.00 1.00 H new ATOM 50 N GLY A 4 44.373 -32.663 -30.395 1.00 1.00 N ATOM 51 CA GLY A 4 45.133 -31.422 -30.478 1.00 1.00 C ATOM 52 C GLY A 4 45.524 -31.116 -31.920 1.00 1.00 C ATOM 53 O GLY A 4 44.915 -30.269 -32.571 1.00 1.00 O ATOM 0 H GLY A 4 43.680 -32.787 -31.133 1.00 1.00 H new ATOM 0 HA2 GLY A 4 44.540 -30.601 -30.076 1.00 1.00 H new ATOM 0 HA3 GLY A 4 46.030 -31.499 -29.863 1.00 1.00 H new ATOM 57 N GLY A 5 46.543 -31.814 -32.411 1.00 1.00 N ATOM 58 CA GLY A 5 47.007 -31.609 -33.778 1.00 1.00 C ATOM 59 C GLY A 5 48.439 -32.106 -33.948 1.00 1.00 C ATOM 60 O GLY A 5 48.673 -33.297 -34.146 1.00 1.00 O ATOM 0 H GLY A 5 47.059 -32.521 -31.888 1.00 1.00 H new ATOM 0 HA2 GLY A 5 46.351 -32.135 -34.472 1.00 1.00 H new ATOM 0 HA3 GLY A 5 46.953 -30.550 -34.029 1.00 1.00 H new ATOM 64 N ASP A 6 49.393 -31.184 -33.867 1.00 1.00 N ATOM 65 CA ASP A 6 50.799 -31.540 -34.015 1.00 1.00 C ATOM 66 C ASP A 6 51.418 -31.850 -32.655 1.00 1.00 C ATOM 67 O ASP A 6 52.481 -32.464 -32.572 1.00 1.00 O ATOM 68 CB ASP A 6 51.562 -30.390 -34.674 1.00 1.00 C ATOM 69 CG ASP A 6 51.129 -30.243 -36.128 1.00 1.00 C ATOM 70 OD1 ASP A 6 50.000 -30.594 -36.428 1.00 1.00 O ATOM 71 OD2 ASP A 6 51.933 -29.781 -36.921 1.00 1.00 O ATOM 0 H ASP A 6 49.220 -30.193 -33.701 1.00 1.00 H new ATOM 0 HA ASP A 6 50.866 -32.428 -34.644 1.00 1.00 H new ATOM 0 HB2 ASP A 6 51.374 -29.462 -34.134 1.00 1.00 H new ATOM 0 HB3 ASP A 6 52.635 -30.577 -34.622 1.00 1.00 H new ATOM 76 N PHE A 7 50.744 -31.421 -31.593 1.00 1.00 N ATOM 77 CA PHE A 7 51.238 -31.659 -30.241 1.00 1.00 C ATOM 78 C PHE A 7 52.577 -30.960 -30.029 1.00 1.00 C ATOM 79 O PHE A 7 53.494 -31.524 -29.432 1.00 1.00 O ATOM 80 CB PHE A 7 51.401 -33.161 -30.001 1.00 1.00 C ATOM 81 CG PHE A 7 50.301 -33.908 -30.718 1.00 1.00 C ATOM 82 CD1 PHE A 7 48.993 -33.876 -30.219 1.00 1.00 C ATOM 83 CD2 PHE A 7 50.589 -34.632 -31.882 1.00 1.00 C ATOM 84 CE1 PHE A 7 47.974 -34.568 -30.883 1.00 1.00 C ATOM 85 CE2 PHE A 7 49.569 -35.323 -32.545 1.00 1.00 C ATOM 86 CZ PHE A 7 48.262 -35.293 -32.047 1.00 1.00 C ATOM 0 H PHE A 7 49.862 -30.911 -31.641 1.00 1.00 H new ATOM 0 HA PHE A 7 50.514 -31.255 -29.534 1.00 1.00 H new ATOM 0 HB2 PHE A 7 52.375 -33.494 -30.360 1.00 1.00 H new ATOM 0 HB3 PHE A 7 51.365 -33.376 -28.933 1.00 1.00 H new ATOM 0 HD1 PHE A 7 48.771 -33.317 -29.322 1.00 1.00 H new ATOM 0 HD2 PHE A 7 51.598 -34.657 -32.267 1.00 1.00 H new ATOM 0 HE1 PHE A 7 46.965 -34.543 -30.498 1.00 1.00 H new ATOM 0 HE2 PHE A 7 49.791 -35.881 -33.443 1.00 1.00 H new ATOM 0 HZ PHE A 7 47.476 -35.828 -32.559 1.00 1.00 H new ATOM 96 N ASP A 8 52.681 -29.730 -30.519 1.00 1.00 N ATOM 97 CA ASP A 8 53.913 -28.962 -30.377 1.00 1.00 C ATOM 98 C ASP A 8 53.619 -27.466 -30.407 1.00 1.00 C ATOM 99 O ASP A 8 54.139 -26.738 -31.252 1.00 1.00 O ATOM 100 CB ASP A 8 54.882 -29.317 -31.507 1.00 1.00 C ATOM 101 CG ASP A 8 55.380 -30.748 -31.337 1.00 1.00 C ATOM 102 OD1 ASP A 8 56.245 -30.958 -30.502 1.00 1.00 O ATOM 103 OD2 ASP A 8 54.889 -31.612 -32.044 1.00 1.00 O ATOM 0 H ASP A 8 51.933 -29.245 -31.015 1.00 1.00 H new ATOM 0 HA ASP A 8 54.366 -29.212 -29.418 1.00 1.00 H new ATOM 0 HB2 ASP A 8 54.385 -29.208 -32.471 1.00 1.00 H new ATOM 0 HB3 ASP A 8 55.726 -28.627 -31.504 1.00 1.00 H new ATOM 108 N ASN A 9 52.782 -27.014 -29.479 1.00 1.00 N ATOM 109 CA ASN A 9 52.426 -25.602 -29.408 1.00 1.00 C ATOM 110 C ASN A 9 51.990 -25.229 -27.994 1.00 1.00 C ATOM 111 O ASN A 9 51.937 -24.051 -27.642 1.00 1.00 O ATOM 112 CB ASN A 9 51.292 -25.299 -30.390 1.00 1.00 C ATOM 113 CG ASN A 9 50.103 -24.702 -29.646 1.00 1.00 C ATOM 114 OD1 ASN A 9 50.136 -23.536 -29.255 1.00 1.00 O ATOM 115 ND2 ASN A 9 49.048 -25.439 -29.424 1.00 1.00 N ATOM 0 H ASN A 9 52.340 -27.600 -28.771 1.00 1.00 H new ATOM 0 HA ASN A 9 53.303 -25.012 -29.673 1.00 1.00 H new ATOM 0 HB2 ASN A 9 51.639 -24.604 -31.155 1.00 1.00 H new ATOM 0 HB3 ASN A 9 50.990 -26.212 -30.902 1.00 1.00 H new ATOM 0 HD21 ASN A 9 48.249 -25.048 -28.925 1.00 1.00 H new ATOM 0 HD22 ASN A 9 49.023 -26.405 -29.749 1.00 1.00 H new ATOM 122 N TYR A 10 51.679 -26.240 -27.190 1.00 1.00 N ATOM 123 CA TYR A 10 51.248 -26.007 -25.816 1.00 1.00 C ATOM 124 C TYR A 10 51.733 -27.130 -24.905 1.00 1.00 C ATOM 125 O TYR A 10 51.627 -27.038 -23.683 1.00 1.00 O ATOM 126 CB TYR A 10 49.722 -25.919 -25.755 1.00 1.00 C ATOM 127 CG TYR A 10 49.296 -25.528 -24.361 1.00 1.00 C ATOM 128 CD1 TYR A 10 49.471 -24.210 -23.919 1.00 1.00 C ATOM 129 CD2 TYR A 10 48.726 -26.481 -23.509 1.00 1.00 C ATOM 130 CE1 TYR A 10 49.075 -23.847 -22.627 1.00 1.00 C ATOM 131 CE2 TYR A 10 48.331 -26.118 -22.217 1.00 1.00 C ATOM 132 CZ TYR A 10 48.505 -24.800 -21.775 1.00 1.00 C ATOM 133 OH TYR A 10 48.116 -24.442 -20.501 1.00 1.00 O ATOM 0 H TYR A 10 51.717 -27.222 -27.463 1.00 1.00 H new ATOM 0 HA TYR A 10 51.679 -25.066 -25.474 1.00 1.00 H new ATOM 0 HB2 TYR A 10 49.360 -25.186 -26.476 1.00 1.00 H new ATOM 0 HB3 TYR A 10 49.281 -26.878 -26.026 1.00 1.00 H new ATOM 0 HD1 TYR A 10 49.912 -23.474 -24.576 1.00 1.00 H new ATOM 0 HD2 TYR A 10 48.591 -27.497 -23.849 1.00 1.00 H new ATOM 0 HE1 TYR A 10 49.209 -22.831 -22.287 1.00 1.00 H new ATOM 0 HE2 TYR A 10 47.892 -26.854 -21.560 1.00 1.00 H new ATOM 0 HH TYR A 10 47.739 -25.222 -20.043 1.00 1.00 H new ATOM 143 N TYR A 11 52.264 -28.188 -25.510 1.00 1.00 N ATOM 144 CA TYR A 11 52.761 -29.324 -24.741 1.00 1.00 C ATOM 145 C TYR A 11 54.164 -29.040 -24.212 1.00 1.00 C ATOM 146 O TYR A 11 55.152 -29.548 -24.741 1.00 1.00 O ATOM 147 CB TYR A 11 52.789 -30.576 -25.620 1.00 1.00 C ATOM 148 CG TYR A 11 51.464 -31.294 -25.515 1.00 1.00 C ATOM 149 CD1 TYR A 11 50.340 -30.788 -26.179 1.00 1.00 C ATOM 150 CD2 TYR A 11 51.361 -32.465 -24.756 1.00 1.00 C ATOM 151 CE1 TYR A 11 49.112 -31.453 -26.082 1.00 1.00 C ATOM 152 CE2 TYR A 11 50.133 -33.131 -24.659 1.00 1.00 C ATOM 153 CZ TYR A 11 49.009 -32.625 -25.323 1.00 1.00 C ATOM 154 OH TYR A 11 47.798 -33.280 -25.227 1.00 1.00 O ATOM 0 H TYR A 11 52.361 -28.283 -26.521 1.00 1.00 H new ATOM 0 HA TYR A 11 52.093 -29.488 -23.896 1.00 1.00 H new ATOM 0 HB2 TYR A 11 52.985 -30.301 -26.656 1.00 1.00 H new ATOM 0 HB3 TYR A 11 53.598 -31.236 -25.306 1.00 1.00 H new ATOM 0 HD1 TYR A 11 50.420 -29.885 -26.766 1.00 1.00 H new ATOM 0 HD2 TYR A 11 52.229 -32.855 -24.245 1.00 1.00 H new ATOM 0 HE1 TYR A 11 48.244 -31.062 -26.593 1.00 1.00 H new ATOM 0 HE2 TYR A 11 50.053 -34.034 -24.072 1.00 1.00 H new ATOM 0 HH TYR A 11 47.900 -34.076 -24.664 1.00 1.00 H new ATOM 164 N GLY A 12 54.242 -28.224 -23.166 1.00 1.00 N ATOM 165 CA GLY A 12 55.529 -27.879 -22.574 1.00 1.00 C ATOM 166 C GLY A 12 55.591 -26.395 -22.231 1.00 1.00 C ATOM 167 O GLY A 12 55.414 -26.006 -21.077 1.00 1.00 O ATOM 0 H GLY A 12 53.436 -27.792 -22.714 1.00 1.00 H new ATOM 0 HA2 GLY A 12 55.690 -28.471 -21.673 1.00 1.00 H new ATOM 0 HA3 GLY A 12 56.332 -28.130 -23.268 1.00 1.00 H new ATOM 171 N ALA A 13 55.844 -25.570 -23.242 1.00 1.00 N ATOM 172 CA ALA A 13 55.927 -24.129 -23.036 1.00 1.00 C ATOM 173 C ALA A 13 56.355 -23.427 -24.321 1.00 1.00 C ATOM 174 O ALA A 13 57.482 -22.943 -24.429 1.00 1.00 O ATOM 175 CB ALA A 13 56.929 -23.818 -21.923 1.00 1.00 C ATOM 0 H ALA A 13 55.994 -25.872 -24.205 1.00 1.00 H new ATOM 0 HA ALA A 13 54.941 -23.764 -22.749 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.985 -22.740 -21.775 1.00 1.00 H new ATOM 0 HB2 ALA A 13 56.605 -24.295 -20.998 1.00 1.00 H new ATOM 0 HB3 ALA A 13 57.912 -24.198 -22.202 1.00 1.00 H new ATOM 181 N ASP A 14 55.450 -23.376 -25.292 1.00 1.00 N ATOM 182 CA ASP A 14 55.746 -22.731 -26.566 1.00 1.00 C ATOM 183 C ASP A 14 55.783 -21.214 -26.402 1.00 1.00 C ATOM 184 O ASP A 14 56.750 -20.562 -26.796 1.00 1.00 O ATOM 185 CB ASP A 14 54.685 -23.108 -27.601 1.00 1.00 C ATOM 186 CG ASP A 14 55.281 -23.047 -29.004 1.00 1.00 C ATOM 187 OD1 ASP A 14 55.387 -21.954 -29.535 1.00 1.00 O ATOM 188 OD2 ASP A 14 55.623 -24.095 -29.527 1.00 1.00 O ATOM 0 H ASP A 14 54.512 -23.770 -25.223 1.00 1.00 H new ATOM 0 HA ASP A 14 56.723 -23.073 -26.907 1.00 1.00 H new ATOM 0 HB2 ASP A 14 54.309 -24.111 -27.400 1.00 1.00 H new ATOM 0 HB3 ASP A 14 53.836 -22.429 -27.528 1.00 1.00 H new ATOM 193 N ASN A 15 54.725 -20.661 -25.820 1.00 1.00 N ATOM 194 CA ASN A 15 54.648 -19.220 -25.609 1.00 1.00 C ATOM 195 C ASN A 15 53.434 -18.868 -24.755 1.00 1.00 C ATOM 196 O ASN A 15 52.605 -18.047 -25.146 1.00 1.00 O ATOM 197 CB ASN A 15 54.554 -18.500 -26.955 1.00 1.00 C ATOM 198 CG ASN A 15 53.591 -19.240 -27.876 1.00 1.00 C ATOM 199 OD1 ASN A 15 52.377 -19.060 -27.782 1.00 1.00 O ATOM 200 ND2 ASN A 15 54.063 -20.067 -28.768 1.00 1.00 N ATOM 0 H ASN A 15 53.914 -21.184 -25.488 1.00 1.00 H new ATOM 0 HA ASN A 15 55.550 -18.899 -25.088 1.00 1.00 H new ATOM 0 HB2 ASN A 15 54.213 -17.476 -26.806 1.00 1.00 H new ATOM 0 HB3 ASN A 15 55.540 -18.443 -27.416 1.00 1.00 H new ATOM 0 HD21 ASN A 15 53.426 -20.566 -29.389 1.00 1.00 H new ATOM 0 HD22 ASN A 15 55.069 -20.215 -28.844 1.00 1.00 H new ATOM 207 N GLN A 16 53.337 -19.494 -23.588 1.00 1.00 N ATOM 208 CA GLN A 16 52.220 -19.240 -22.686 1.00 1.00 C ATOM 209 C GLN A 16 52.287 -17.818 -22.136 1.00 1.00 C ATOM 210 O GLN A 16 51.505 -17.444 -21.261 1.00 1.00 O ATOM 211 CB GLN A 16 52.245 -20.239 -21.527 1.00 1.00 C ATOM 212 CG GLN A 16 53.691 -20.631 -21.216 1.00 1.00 C ATOM 213 CD GLN A 16 54.579 -19.392 -21.216 1.00 1.00 C ATOM 214 OE1 GLN A 16 54.544 -18.602 -20.273 1.00 1.00 O ATOM 215 NE2 GLN A 16 55.379 -19.176 -22.223 1.00 1.00 N ATOM 0 H GLN A 16 54.013 -20.177 -23.246 1.00 1.00 H new ATOM 0 HA GLN A 16 51.292 -19.358 -23.246 1.00 1.00 H new ATOM 0 HB2 GLN A 16 51.779 -19.799 -20.645 1.00 1.00 H new ATOM 0 HB3 GLN A 16 51.665 -21.125 -21.785 1.00 1.00 H new ATOM 0 HG2 GLN A 16 53.742 -21.125 -20.246 1.00 1.00 H new ATOM 0 HG3 GLN A 16 54.050 -21.346 -21.957 1.00 1.00 H new ATOM 0 HE21 GLN A 16 55.406 -19.833 -23.003 1.00 1.00 H new ATOM 0 HE22 GLN A 16 55.978 -18.350 -22.231 1.00 1.00 H new ATOM 224 N SER A 17 53.226 -17.031 -22.656 1.00 1.00 N ATOM 225 CA SER A 17 53.389 -15.649 -22.213 1.00 1.00 C ATOM 226 C SER A 17 54.178 -15.596 -20.909 1.00 1.00 C ATOM 227 O SER A 17 53.812 -14.880 -19.978 1.00 1.00 O ATOM 228 CB SER A 17 52.022 -14.992 -22.017 1.00 1.00 C ATOM 229 OG SER A 17 51.075 -15.611 -22.879 1.00 1.00 O ATOM 0 H SER A 17 53.882 -17.324 -23.380 1.00 1.00 H new ATOM 0 HA SER A 17 53.940 -15.105 -22.980 1.00 1.00 H new ATOM 0 HB2 SER A 17 51.704 -15.090 -20.979 1.00 1.00 H new ATOM 0 HB3 SER A 17 52.084 -13.925 -22.232 1.00 1.00 H new ATOM 0 HG SER A 17 50.542 -16.257 -22.370 1.00 1.00 H new ATOM 235 N GLU A 18 55.262 -16.361 -20.852 1.00 1.00 N ATOM 236 CA GLU A 18 56.100 -16.396 -19.659 1.00 1.00 C ATOM 237 C GLU A 18 56.848 -15.078 -19.489 1.00 1.00 C ATOM 238 O GLU A 18 56.519 -14.079 -20.128 1.00 1.00 O ATOM 239 CB GLU A 18 57.103 -17.545 -19.765 1.00 1.00 C ATOM 240 CG GLU A 18 57.016 -18.416 -18.509 1.00 1.00 C ATOM 241 CD GLU A 18 58.075 -19.511 -18.560 1.00 1.00 C ATOM 242 OE1 GLU A 18 58.459 -19.888 -19.655 1.00 1.00 O ATOM 243 OE2 GLU A 18 58.489 -19.957 -17.501 1.00 1.00 O ATOM 0 H GLU A 18 55.580 -16.962 -21.612 1.00 1.00 H new ATOM 0 HA GLU A 18 55.460 -16.549 -18.790 1.00 1.00 H new ATOM 0 HB2 GLU A 18 56.894 -18.144 -20.651 1.00 1.00 H new ATOM 0 HB3 GLU A 18 58.113 -17.151 -19.878 1.00 1.00 H new ATOM 0 HG2 GLU A 18 57.159 -17.802 -17.620 1.00 1.00 H new ATOM 0 HG3 GLU A 18 56.024 -18.861 -18.433 1.00 1.00 H new ATOM 250 N CYS A 19 57.856 -15.083 -18.623 1.00 1.00 N ATOM 251 CA CYS A 19 58.644 -13.881 -18.377 1.00 1.00 C ATOM 252 C CYS A 19 57.745 -12.734 -17.926 1.00 1.00 C ATOM 253 O CYS A 19 57.897 -11.599 -18.378 1.00 1.00 O ATOM 254 CB CYS A 19 59.392 -13.476 -19.649 1.00 1.00 C ATOM 255 SG CYS A 19 60.233 -14.922 -20.340 1.00 1.00 S ATOM 0 H CYS A 19 58.145 -15.899 -18.084 1.00 1.00 H new ATOM 0 HA CYS A 19 59.363 -14.097 -17.587 1.00 1.00 H new ATOM 0 HB2 CYS A 19 58.694 -13.064 -20.379 1.00 1.00 H new ATOM 0 HB3 CYS A 19 60.117 -12.693 -19.424 1.00 1.00 H new ATOM 0 HG CYS A 19 60.867 -14.579 -21.422 1.00 1.00 H new ATOM 261 N GLU A 20 56.808 -13.039 -17.034 1.00 1.00 N ATOM 262 CA GLU A 20 55.889 -12.025 -16.529 1.00 1.00 C ATOM 263 C GLU A 20 56.508 -11.282 -15.351 1.00 1.00 C ATOM 264 O GLU A 20 55.829 -10.521 -14.659 1.00 1.00 O ATOM 265 CB GLU A 20 54.579 -12.681 -16.090 1.00 1.00 C ATOM 266 CG GLU A 20 53.953 -13.416 -17.278 1.00 1.00 C ATOM 267 CD GLU A 20 52.676 -12.708 -17.716 1.00 1.00 C ATOM 268 OE1 GLU A 20 51.854 -12.427 -16.860 1.00 1.00 O ATOM 269 OE2 GLU A 20 52.540 -12.456 -18.902 1.00 1.00 O ATOM 0 H GLU A 20 56.665 -13.972 -16.648 1.00 1.00 H new ATOM 0 HA GLU A 20 55.688 -11.312 -17.328 1.00 1.00 H new ATOM 0 HB2 GLU A 20 54.765 -13.379 -15.274 1.00 1.00 H new ATOM 0 HB3 GLU A 20 53.890 -11.925 -15.712 1.00 1.00 H new ATOM 0 HG2 GLU A 20 54.660 -13.453 -18.107 1.00 1.00 H new ATOM 0 HG3 GLU A 20 53.731 -14.447 -17.002 1.00 1.00 H new ATOM 276 N TYR A 21 57.798 -11.506 -15.126 1.00 1.00 N ATOM 277 CA TYR A 21 58.496 -10.851 -14.026 1.00 1.00 C ATOM 278 C TYR A 21 57.870 -11.235 -12.690 1.00 1.00 C ATOM 279 O TYR A 21 58.302 -10.772 -11.634 1.00 1.00 O ATOM 280 CB TYR A 21 58.439 -9.333 -14.202 1.00 1.00 C ATOM 281 CG TYR A 21 58.384 -8.998 -15.673 1.00 1.00 C ATOM 282 CD1 TYR A 21 59.263 -9.623 -16.566 1.00 1.00 C ATOM 283 CD2 TYR A 21 57.454 -8.064 -16.144 1.00 1.00 C ATOM 284 CE1 TYR A 21 59.210 -9.313 -17.931 1.00 1.00 C ATOM 285 CE2 TYR A 21 57.402 -7.754 -17.508 1.00 1.00 C ATOM 286 CZ TYR A 21 58.280 -8.378 -18.402 1.00 1.00 C ATOM 287 OH TYR A 21 58.229 -8.073 -19.746 1.00 1.00 O ATOM 0 H TYR A 21 58.378 -12.131 -15.686 1.00 1.00 H new ATOM 0 HA TYR A 21 59.536 -11.178 -14.034 1.00 1.00 H new ATOM 0 HB2 TYR A 21 57.563 -8.930 -13.693 1.00 1.00 H new ATOM 0 HB3 TYR A 21 59.314 -8.870 -13.745 1.00 1.00 H new ATOM 0 HD1 TYR A 21 59.981 -10.343 -16.203 1.00 1.00 H new ATOM 0 HD2 TYR A 21 56.776 -7.582 -15.455 1.00 1.00 H new ATOM 0 HE1 TYR A 21 59.887 -9.795 -18.621 1.00 1.00 H new ATOM 0 HE2 TYR A 21 56.684 -7.033 -17.871 1.00 1.00 H new ATOM 0 HH TYR A 21 57.527 -7.407 -19.904 1.00 1.00 H new ATOM 297 N THR A 22 56.850 -12.086 -12.744 1.00 1.00 N ATOM 298 CA THR A 22 56.171 -12.527 -11.531 1.00 1.00 C ATOM 299 C THR A 22 55.597 -13.927 -11.719 1.00 1.00 C ATOM 300 O THR A 22 54.762 -14.377 -10.933 1.00 1.00 O ATOM 301 CB THR A 22 55.043 -11.554 -11.180 1.00 1.00 C ATOM 302 OG1 THR A 22 54.147 -11.456 -12.279 1.00 1.00 O ATOM 303 CG2 THR A 22 55.631 -10.175 -10.874 1.00 1.00 C ATOM 0 H THR A 22 56.478 -12.481 -13.608 1.00 1.00 H new ATOM 0 HA THR A 22 56.897 -12.549 -10.718 1.00 1.00 H new ATOM 0 HB THR A 22 54.507 -11.919 -10.304 1.00 1.00 H new ATOM 0 HG1 THR A 22 54.600 -11.023 -13.032 1.00 1.00 H new ATOM 0 HG21 THR A 22 54.826 -9.484 -10.624 1.00 1.00 H new ATOM 0 HG22 THR A 22 56.318 -10.251 -10.031 1.00 1.00 H new ATOM 0 HG23 THR A 22 56.168 -9.806 -11.748 1.00 1.00 H new ATOM 311 N ASP A 23 56.050 -14.611 -12.766 1.00 1.00 N ATOM 312 CA ASP A 23 55.575 -15.961 -13.051 1.00 1.00 C ATOM 313 C ASP A 23 56.747 -16.882 -13.375 1.00 1.00 C ATOM 314 O ASP A 23 56.766 -18.044 -12.967 1.00 1.00 O ATOM 315 CB ASP A 23 54.603 -15.934 -14.231 1.00 1.00 C ATOM 316 CG ASP A 23 53.910 -17.286 -14.366 1.00 1.00 C ATOM 317 OD1 ASP A 23 53.979 -18.062 -13.428 1.00 1.00 O ATOM 318 OD2 ASP A 23 53.319 -17.525 -15.407 1.00 1.00 O ATOM 0 H ASP A 23 56.741 -14.255 -13.427 1.00 1.00 H new ATOM 0 HA ASP A 23 55.062 -16.341 -12.167 1.00 1.00 H new ATOM 0 HB2 ASP A 23 53.861 -15.149 -14.084 1.00 1.00 H new ATOM 0 HB3 ASP A 23 55.140 -15.698 -15.150 1.00 1.00 H new ATOM 323 N TRP A 24 57.724 -16.359 -14.110 1.00 1.00 N ATOM 324 CA TRP A 24 58.893 -17.151 -14.476 1.00 1.00 C ATOM 325 C TRP A 24 59.446 -17.876 -13.255 1.00 1.00 C ATOM 326 O TRP A 24 60.237 -18.811 -13.380 1.00 1.00 O ATOM 327 CB TRP A 24 59.973 -16.251 -15.081 1.00 1.00 C ATOM 328 CG TRP A 24 60.425 -15.250 -14.067 1.00 1.00 C ATOM 329 CD1 TRP A 24 59.673 -14.232 -13.590 1.00 1.00 C ATOM 330 CD2 TRP A 24 61.718 -15.153 -13.400 1.00 1.00 C ATOM 331 NE1 TRP A 24 60.421 -13.515 -12.672 1.00 1.00 N ATOM 332 CE2 TRP A 24 61.688 -14.043 -12.521 1.00 1.00 C ATOM 333 CE3 TRP A 24 62.900 -15.910 -13.471 1.00 1.00 C ATOM 334 CZ2 TRP A 24 62.792 -13.698 -11.741 1.00 1.00 C ATOM 335 CZ3 TRP A 24 64.014 -15.566 -12.687 1.00 1.00 C ATOM 336 CH2 TRP A 24 63.960 -14.462 -11.825 1.00 1.00 C ATOM 0 H TRP A 24 57.730 -15.401 -14.460 1.00 1.00 H new ATOM 0 HA TRP A 24 58.591 -17.891 -15.218 1.00 1.00 H new ATOM 0 HB2 TRP A 24 60.818 -16.854 -15.412 1.00 1.00 H new ATOM 0 HB3 TRP A 24 59.582 -15.740 -15.961 1.00 1.00 H new ATOM 0 HD1 TRP A 24 58.655 -14.014 -13.878 1.00 1.00 H new ATOM 0 HE1 TRP A 24 60.078 -12.697 -12.169 1.00 1.00 H new ATOM 0 HE3 TRP A 24 62.952 -16.762 -14.133 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 62.745 -12.847 -11.077 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 64.917 -16.155 -12.749 1.00 1.00 H new ATOM 0 HH2 TRP A 24 64.820 -14.202 -11.226 1.00 1.00 H new ATOM 347 N LYS A 25 59.018 -17.438 -12.074 1.00 1.00 N ATOM 348 CA LYS A 25 59.467 -18.052 -10.829 1.00 1.00 C ATOM 349 C LYS A 25 58.282 -18.299 -9.901 1.00 1.00 C ATOM 350 O LYS A 25 58.447 -18.805 -8.790 1.00 1.00 O ATOM 351 CB LYS A 25 60.498 -17.154 -10.130 1.00 1.00 C ATOM 352 CG LYS A 25 60.056 -15.685 -10.189 1.00 1.00 C ATOM 353 CD LYS A 25 58.767 -15.488 -9.387 1.00 1.00 C ATOM 354 CE LYS A 25 58.677 -14.034 -8.920 1.00 1.00 C ATOM 355 NZ LYS A 25 59.543 -13.843 -7.722 1.00 1.00 N ATOM 0 H LYS A 25 58.364 -16.664 -11.954 1.00 1.00 H new ATOM 0 HA LYS A 25 59.935 -19.007 -11.067 1.00 1.00 H new ATOM 0 HB2 LYS A 25 60.615 -17.464 -9.091 1.00 1.00 H new ATOM 0 HB3 LYS A 25 61.471 -17.267 -10.608 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.843 -15.045 -9.790 1.00 1.00 H new ATOM 0 HG3 LYS A 25 59.897 -15.387 -11.225 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.902 -15.739 -10.001 1.00 1.00 H new ATOM 0 HD3 LYS A 25 58.754 -16.159 -8.528 1.00 1.00 H new ATOM 0 HE2 LYS A 25 58.991 -13.364 -9.720 1.00 1.00 H new ATOM 0 HE3 LYS A 25 57.644 -13.781 -8.680 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 58.950 -13.628 -6.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 60.084 -14.713 -7.543 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 60.200 -13.055 -7.891 1.00 1.00 H new ATOM 369 N SER A 26 57.088 -17.942 -10.368 1.00 1.00 N ATOM 370 CA SER A 26 55.872 -18.127 -9.582 1.00 1.00 C ATOM 371 C SER A 26 56.126 -17.831 -8.107 1.00 1.00 C ATOM 372 O SER A 26 55.975 -18.703 -7.251 1.00 1.00 O ATOM 373 CB SER A 26 55.364 -19.561 -9.741 1.00 1.00 C ATOM 374 OG SER A 26 55.610 -20.000 -11.071 1.00 1.00 O ATOM 0 H SER A 26 56.937 -17.523 -11.286 1.00 1.00 H new ATOM 0 HA SER A 26 55.118 -17.430 -9.948 1.00 1.00 H new ATOM 0 HB2 SER A 26 55.865 -20.218 -9.030 1.00 1.00 H new ATOM 0 HB3 SER A 26 54.297 -19.608 -9.521 1.00 1.00 H new ATOM 0 HG SER A 26 55.287 -20.919 -11.177 1.00 1.00 H new ATOM 380 N SER A 27 56.511 -16.592 -7.816 1.00 1.00 N ATOM 381 CA SER A 27 56.782 -16.190 -6.441 1.00 1.00 C ATOM 382 C SER A 27 56.666 -14.676 -6.294 1.00 1.00 C ATOM 383 O SER A 27 57.397 -14.060 -5.519 1.00 1.00 O ATOM 384 CB SER A 27 58.184 -16.639 -6.031 1.00 1.00 C ATOM 385 OG SER A 27 58.178 -17.007 -4.658 1.00 1.00 O ATOM 0 H SER A 27 56.641 -15.854 -8.508 1.00 1.00 H new ATOM 0 HA SER A 27 56.046 -16.665 -5.792 1.00 1.00 H new ATOM 0 HB2 SER A 27 58.502 -17.483 -6.644 1.00 1.00 H new ATOM 0 HB3 SER A 27 58.900 -15.835 -6.200 1.00 1.00 H new ATOM 0 HG SER A 27 59.076 -17.297 -4.393 1.00 1.00 H new ATOM 391 N GLY A 28 55.743 -14.085 -7.044 1.00 1.00 N ATOM 392 CA GLY A 28 55.538 -12.642 -6.991 1.00 1.00 C ATOM 393 C GLY A 28 54.121 -12.281 -7.425 1.00 1.00 C ATOM 394 O GLY A 28 53.867 -11.165 -7.878 1.00 1.00 O ATOM 0 H GLY A 28 55.129 -14.578 -7.692 1.00 1.00 H new ATOM 0 HA2 GLY A 28 55.716 -12.282 -5.978 1.00 1.00 H new ATOM 0 HA3 GLY A 28 56.260 -12.143 -7.638 1.00 1.00 H new ATOM 398 N ALA A 29 53.205 -13.234 -7.283 1.00 1.00 N ATOM 399 CA ALA A 29 51.814 -13.010 -7.662 1.00 1.00 C ATOM 400 C ALA A 29 50.874 -13.520 -6.574 1.00 1.00 C ATOM 401 O ALA A 29 49.681 -13.217 -6.581 1.00 1.00 O ATOM 402 CB ALA A 29 51.511 -13.727 -8.978 1.00 1.00 C ATOM 0 H ALA A 29 53.399 -14.164 -6.911 1.00 1.00 H new ATOM 0 HA ALA A 29 51.658 -11.939 -7.788 1.00 1.00 H new ATOM 0 HB1 ALA A 29 50.471 -13.555 -9.255 1.00 1.00 H new ATOM 0 HB2 ALA A 29 52.163 -13.341 -9.761 1.00 1.00 H new ATOM 0 HB3 ALA A 29 51.683 -14.797 -8.857 1.00 1.00 H new ATOM 408 N LEU A 30 51.424 -14.296 -5.642 1.00 1.00 N ATOM 409 CA LEU A 30 50.630 -14.848 -4.547 1.00 1.00 C ATOM 410 C LEU A 30 51.278 -14.527 -3.204 1.00 1.00 C ATOM 411 O LEU A 30 50.747 -14.873 -2.149 1.00 1.00 O ATOM 412 CB LEU A 30 50.504 -16.365 -4.705 1.00 1.00 C ATOM 413 CG LEU A 30 50.205 -16.704 -6.167 1.00 1.00 C ATOM 414 CD1 LEU A 30 51.513 -17.018 -6.897 1.00 1.00 C ATOM 415 CD2 LEU A 30 49.284 -17.925 -6.225 1.00 1.00 C ATOM 0 H LEU A 30 52.410 -14.555 -5.623 1.00 1.00 H new ATOM 0 HA LEU A 30 49.638 -14.397 -4.578 1.00 1.00 H new ATOM 0 HB2 LEU A 30 51.427 -16.852 -4.389 1.00 1.00 H new ATOM 0 HB3 LEU A 30 49.708 -16.743 -4.063 1.00 1.00 H new ATOM 0 HG LEU A 30 49.718 -15.855 -6.646 1.00 1.00 H new ATOM 0 HD11 LEU A 30 51.300 -17.259 -7.938 1.00 1.00 H new ATOM 0 HD12 LEU A 30 52.171 -16.150 -6.853 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.001 -17.868 -6.420 1.00 1.00 H new ATOM 0 HD21 LEU A 30 49.069 -18.169 -7.265 1.00 1.00 H new ATOM 0 HD22 LEU A 30 49.774 -18.773 -5.747 1.00 1.00 H new ATOM 0 HD23 LEU A 30 48.352 -17.703 -5.704 1.00 1.00 H new ATOM 427 N ILE A 31 52.429 -13.864 -3.252 1.00 1.00 N ATOM 428 CA ILE A 31 53.141 -13.501 -2.033 1.00 1.00 C ATOM 429 C ILE A 31 52.709 -12.121 -1.529 1.00 1.00 C ATOM 430 O ILE A 31 52.569 -11.917 -0.323 1.00 1.00 O ATOM 431 CB ILE A 31 54.654 -13.511 -2.277 1.00 1.00 C ATOM 432 CG1 ILE A 31 54.981 -14.357 -3.515 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.366 -14.097 -1.054 1.00 1.00 C ATOM 434 CD1 ILE A 31 54.382 -15.762 -3.373 1.00 1.00 C ATOM 0 H ILE A 31 52.885 -13.569 -4.115 1.00 1.00 H new ATOM 0 HA ILE A 31 52.893 -14.240 -1.271 1.00 1.00 H new ATOM 0 HB ILE A 31 54.995 -12.489 -2.443 1.00 1.00 H new ATOM 0 HG12 ILE A 31 54.585 -13.874 -4.409 1.00 1.00 H new ATOM 0 HG13 ILE A 31 56.061 -14.426 -3.642 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.442 -14.104 -1.228 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.144 -13.488 -0.177 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.019 -15.116 -0.885 1.00 1.00 H new ATOM 0 HD11 ILE A 31 54.622 -16.351 -4.258 1.00 1.00 H new ATOM 0 HD12 ILE A 31 54.798 -16.248 -2.490 1.00 1.00 H new ATOM 0 HD13 ILE A 31 53.300 -15.687 -3.269 1.00 1.00 H new ATOM 446 N PRO A 32 52.502 -11.173 -2.413 1.00 1.00 N ATOM 447 CA PRO A 32 52.085 -9.801 -2.027 1.00 1.00 C ATOM 448 C PRO A 32 50.569 -9.673 -1.905 1.00 1.00 C ATOM 449 O PRO A 32 50.042 -8.574 -1.734 1.00 1.00 O ATOM 450 CB PRO A 32 52.619 -8.943 -3.173 1.00 1.00 C ATOM 451 CG PRO A 32 52.664 -9.841 -4.372 1.00 1.00 C ATOM 452 CD PRO A 32 52.637 -11.293 -3.872 1.00 1.00 C ATOM 0 HA PRO A 32 52.467 -9.508 -1.049 1.00 1.00 H new ATOM 0 HB2 PRO A 32 51.972 -8.084 -3.352 1.00 1.00 H new ATOM 0 HB3 PRO A 32 53.610 -8.553 -2.940 1.00 1.00 H new ATOM 0 HG2 PRO A 32 51.815 -9.647 -5.027 1.00 1.00 H new ATOM 0 HG3 PRO A 32 53.566 -9.655 -4.955 1.00 1.00 H new ATOM 0 HD2 PRO A 32 51.804 -11.847 -4.304 1.00 1.00 H new ATOM 0 HD3 PRO A 32 53.549 -11.825 -4.145 1.00 1.00 H new ATOM 460 N ALA A 33 49.876 -10.803 -1.992 1.00 1.00 N ATOM 461 CA ALA A 33 48.420 -10.806 -1.888 1.00 1.00 C ATOM 462 C ALA A 33 47.984 -11.255 -0.497 1.00 1.00 C ATOM 463 O ALA A 33 46.792 -11.401 -0.227 1.00 1.00 O ATOM 464 CB ALA A 33 47.824 -11.742 -2.939 1.00 1.00 C ATOM 0 H ALA A 33 50.294 -11.723 -2.133 1.00 1.00 H new ATOM 0 HA ALA A 33 48.059 -9.792 -2.060 1.00 1.00 H new ATOM 0 HB1 ALA A 33 46.737 -11.739 -2.855 1.00 1.00 H new ATOM 0 HB2 ALA A 33 48.112 -11.402 -3.934 1.00 1.00 H new ATOM 0 HB3 ALA A 33 48.197 -12.754 -2.779 1.00 1.00 H new ATOM 470 N ILE A 34 48.959 -11.471 0.382 1.00 1.00 N ATOM 471 CA ILE A 34 48.664 -11.903 1.743 1.00 1.00 C ATOM 472 C ILE A 34 49.609 -11.231 2.734 1.00 1.00 C ATOM 473 O ILE A 34 49.201 -10.841 3.828 1.00 1.00 O ATOM 474 CB ILE A 34 48.803 -13.422 1.853 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.293 -13.987 0.516 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.445 -14.037 2.199 1.00 1.00 C ATOM 477 CD1 ILE A 34 49.508 -15.496 0.648 1.00 1.00 C ATOM 0 H ILE A 34 49.952 -11.355 0.178 1.00 1.00 H new ATOM 0 HA ILE A 34 47.640 -11.615 1.981 1.00 1.00 H new ATOM 0 HB ILE A 34 49.521 -13.665 2.636 1.00 1.00 H new ATOM 0 HG12 ILE A 34 48.564 -13.780 -0.268 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.223 -13.501 0.223 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.545 -15.120 2.277 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.095 -13.635 3.150 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.726 -13.795 1.417 1.00 1.00 H new ATOM 0 HD11 ILE A 34 49.857 -15.898 -0.303 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.253 -15.691 1.420 1.00 1.00 H new ATOM 0 HD13 ILE A 34 48.568 -15.975 0.922 1.00 1.00 H new ATOM 489 N TYR A 35 50.872 -11.099 2.342 1.00 1.00 N ATOM 490 CA TYR A 35 51.867 -10.471 3.203 1.00 1.00 C ATOM 491 C TYR A 35 51.743 -8.952 3.146 1.00 1.00 C ATOM 492 O TYR A 35 52.731 -8.232 3.297 1.00 1.00 O ATOM 493 CB TYR A 35 53.272 -10.890 2.767 1.00 1.00 C ATOM 494 CG TYR A 35 53.553 -12.291 3.255 1.00 1.00 C ATOM 495 CD1 TYR A 35 52.946 -13.386 2.628 1.00 1.00 C ATOM 496 CD2 TYR A 35 54.425 -12.495 4.332 1.00 1.00 C ATOM 497 CE1 TYR A 35 53.208 -14.685 3.081 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.686 -13.795 4.783 1.00 1.00 C ATOM 499 CZ TYR A 35 54.078 -14.890 4.158 1.00 1.00 C ATOM 500 OH TYR A 35 54.336 -16.169 4.603 1.00 1.00 O ATOM 0 H TYR A 35 51.229 -11.416 1.441 1.00 1.00 H new ATOM 0 HA TYR A 35 51.693 -10.798 4.228 1.00 1.00 H new ATOM 0 HB2 TYR A 35 53.355 -10.848 1.681 1.00 1.00 H new ATOM 0 HB3 TYR A 35 54.011 -10.198 3.170 1.00 1.00 H new ATOM 0 HD1 TYR A 35 52.276 -13.229 1.796 1.00 1.00 H new ATOM 0 HD2 TYR A 35 54.896 -11.651 4.814 1.00 1.00 H new ATOM 0 HE1 TYR A 35 52.738 -15.529 2.599 1.00 1.00 H new ATOM 0 HE2 TYR A 35 55.357 -13.953 5.614 1.00 1.00 H new ATOM 0 HH TYR A 35 54.961 -16.133 5.357 1.00 1.00 H new ATOM 510 N MET A 36 50.523 -8.471 2.926 1.00 1.00 N ATOM 511 CA MET A 36 50.278 -7.034 2.849 1.00 1.00 C ATOM 512 C MET A 36 49.052 -6.655 3.674 1.00 1.00 C ATOM 513 O MET A 36 49.137 -5.840 4.592 1.00 1.00 O ATOM 514 CB MET A 36 50.064 -6.617 1.393 1.00 1.00 C ATOM 515 CG MET A 36 51.251 -7.085 0.548 1.00 1.00 C ATOM 516 SD MET A 36 52.756 -6.245 1.102 1.00 1.00 S ATOM 517 CE MET A 36 53.939 -7.470 0.491 1.00 1.00 C ATOM 0 H MET A 36 49.693 -9.051 2.799 1.00 1.00 H new ATOM 0 HA MET A 36 51.148 -6.514 3.251 1.00 1.00 H new ATOM 0 HB2 MET A 36 49.139 -7.050 1.012 1.00 1.00 H new ATOM 0 HB3 MET A 36 49.960 -5.534 1.325 1.00 1.00 H new ATOM 0 HG2 MET A 36 51.371 -8.165 0.637 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.069 -6.870 -0.505 1.00 1.00 H new ATOM 0 HE1 MET A 36 54.950 -7.165 0.760 1.00 1.00 H new ATOM 0 HE2 MET A 36 53.721 -8.440 0.938 1.00 1.00 H new ATOM 0 HE3 MET A 36 53.859 -7.544 -0.594 1.00 1.00 H new ATOM 527 N LEU A 37 47.912 -7.253 3.341 1.00 1.00 N ATOM 528 CA LEU A 37 46.675 -6.970 4.059 1.00 1.00 C ATOM 529 C LEU A 37 46.594 -7.802 5.334 1.00 1.00 C ATOM 530 O LEU A 37 45.513 -8.001 5.891 1.00 1.00 O ATOM 531 CB LEU A 37 45.469 -7.279 3.168 1.00 1.00 C ATOM 532 CG LEU A 37 45.706 -8.595 2.426 1.00 1.00 C ATOM 533 CD1 LEU A 37 44.416 -9.419 2.424 1.00 1.00 C ATOM 534 CD2 LEU A 37 46.121 -8.298 0.984 1.00 1.00 C ATOM 0 H LEU A 37 47.820 -7.931 2.585 1.00 1.00 H new ATOM 0 HA LEU A 37 46.667 -5.913 4.326 1.00 1.00 H new ATOM 0 HB2 LEU A 37 44.565 -7.348 3.773 1.00 1.00 H new ATOM 0 HB3 LEU A 37 45.314 -6.470 2.454 1.00 1.00 H new ATOM 0 HG LEU A 37 46.496 -9.157 2.925 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.584 -10.357 1.895 1.00 1.00 H new ATOM 0 HD12 LEU A 37 44.117 -9.630 3.451 1.00 1.00 H new ATOM 0 HD13 LEU A 37 43.626 -8.858 1.924 1.00 1.00 H new ATOM 0 HD21 LEU A 37 46.290 -9.235 0.454 1.00 1.00 H new ATOM 0 HD22 LEU A 37 45.330 -7.737 0.486 1.00 1.00 H new ATOM 0 HD23 LEU A 37 47.039 -7.710 0.983 1.00 1.00 H new ATOM 546 N VAL A 38 47.743 -8.286 5.794 1.00 1.00 N ATOM 547 CA VAL A 38 47.791 -9.096 7.006 1.00 1.00 C ATOM 548 C VAL A 38 49.002 -8.720 7.854 1.00 1.00 C ATOM 549 O VAL A 38 48.884 -8.506 9.060 1.00 1.00 O ATOM 550 CB VAL A 38 47.862 -10.579 6.641 1.00 1.00 C ATOM 551 CG1 VAL A 38 47.724 -11.424 7.907 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.725 -10.920 5.675 1.00 1.00 C ATOM 0 H VAL A 38 48.648 -8.133 5.349 1.00 1.00 H new ATOM 0 HA VAL A 38 46.885 -8.907 7.582 1.00 1.00 H new ATOM 0 HB VAL A 38 48.820 -10.791 6.166 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.775 -12.481 7.646 1.00 1.00 H new ATOM 0 HG12 VAL A 38 48.533 -11.181 8.596 1.00 1.00 H new ATOM 0 HG13 VAL A 38 46.766 -11.213 8.383 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.774 -11.977 5.414 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.767 -10.708 6.151 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.822 -10.318 4.771 1.00 1.00 H new ATOM 562 N PHE A 39 50.164 -8.642 7.215 1.00 1.00 N ATOM 563 CA PHE A 39 51.390 -8.292 7.921 1.00 1.00 C ATOM 564 C PHE A 39 51.178 -7.044 8.774 1.00 1.00 C ATOM 565 O PHE A 39 51.580 -7.000 9.936 1.00 1.00 O ATOM 566 CB PHE A 39 52.518 -8.042 6.919 1.00 1.00 C ATOM 567 CG PHE A 39 53.848 -8.318 7.577 1.00 1.00 C ATOM 568 CD1 PHE A 39 54.277 -9.639 7.760 1.00 1.00 C ATOM 569 CD2 PHE A 39 54.652 -7.255 8.004 1.00 1.00 C ATOM 570 CE1 PHE A 39 55.511 -9.895 8.371 1.00 1.00 C ATOM 571 CE2 PHE A 39 55.886 -7.512 8.614 1.00 1.00 C ATOM 572 CZ PHE A 39 56.315 -8.831 8.798 1.00 1.00 C ATOM 0 H PHE A 39 50.282 -8.815 6.217 1.00 1.00 H new ATOM 0 HA PHE A 39 51.662 -9.123 8.572 1.00 1.00 H new ATOM 0 HB2 PHE A 39 52.392 -8.683 6.047 1.00 1.00 H new ATOM 0 HB3 PHE A 39 52.482 -7.012 6.565 1.00 1.00 H new ATOM 0 HD1 PHE A 39 53.657 -10.459 7.430 1.00 1.00 H new ATOM 0 HD2 PHE A 39 54.321 -6.237 7.863 1.00 1.00 H new ATOM 0 HE1 PHE A 39 55.842 -10.913 8.513 1.00 1.00 H new ATOM 0 HE2 PHE A 39 56.507 -6.692 8.943 1.00 1.00 H new ATOM 0 HZ PHE A 39 57.266 -9.029 9.269 1.00 1.00 H new ATOM 582 N LEU A 40 50.543 -6.035 8.187 1.00 1.00 N ATOM 583 CA LEU A 40 50.281 -4.791 8.901 1.00 1.00 C ATOM 584 C LEU A 40 48.825 -4.730 9.353 1.00 1.00 C ATOM 585 O LEU A 40 48.069 -3.857 8.927 1.00 1.00 O ATOM 586 CB LEU A 40 50.586 -3.595 7.996 1.00 1.00 C ATOM 587 CG LEU A 40 51.939 -3.803 7.315 1.00 1.00 C ATOM 588 CD1 LEU A 40 51.721 -4.293 5.883 1.00 1.00 C ATOM 589 CD2 LEU A 40 52.704 -2.477 7.288 1.00 1.00 C ATOM 0 H LEU A 40 50.202 -6.053 7.226 1.00 1.00 H new ATOM 0 HA LEU A 40 50.925 -4.755 9.780 1.00 1.00 H new ATOM 0 HB2 LEU A 40 49.803 -3.484 7.246 1.00 1.00 H new ATOM 0 HB3 LEU A 40 50.599 -2.676 8.582 1.00 1.00 H new ATOM 0 HG LEU A 40 52.514 -4.545 7.869 1.00 1.00 H new ATOM 0 HD11 LEU A 40 52.686 -4.441 5.398 1.00 1.00 H new ATOM 0 HD12 LEU A 40 51.175 -5.236 5.900 1.00 1.00 H new ATOM 0 HD13 LEU A 40 51.146 -3.551 5.328 1.00 1.00 H new ATOM 0 HD21 LEU A 40 53.669 -2.623 6.803 1.00 1.00 H new ATOM 0 HD22 LEU A 40 52.128 -1.736 6.734 1.00 1.00 H new ATOM 0 HD23 LEU A 40 52.860 -2.126 8.308 1.00 1.00 H new ATOM 601 N LEU A 41 48.441 -5.663 10.218 1.00 1.00 N ATOM 602 CA LEU A 41 47.073 -5.707 10.722 1.00 1.00 C ATOM 603 C LEU A 41 47.064 -5.987 12.222 1.00 1.00 C ATOM 604 O LEU A 41 46.616 -5.158 13.015 1.00 1.00 O ATOM 605 CB LEU A 41 46.283 -6.797 9.994 1.00 1.00 C ATOM 606 CG LEU A 41 45.036 -6.184 9.353 1.00 1.00 C ATOM 607 CD1 LEU A 41 44.275 -7.264 8.583 1.00 1.00 C ATOM 608 CD2 LEU A 41 44.134 -5.609 10.448 1.00 1.00 C ATOM 0 H LEU A 41 49.052 -6.394 10.582 1.00 1.00 H new ATOM 0 HA LEU A 41 46.608 -4.738 10.541 1.00 1.00 H new ATOM 0 HB2 LEU A 41 46.905 -7.263 9.230 1.00 1.00 H new ATOM 0 HB3 LEU A 41 45.996 -7.582 10.694 1.00 1.00 H new ATOM 0 HG LEU A 41 45.332 -5.390 8.668 1.00 1.00 H new ATOM 0 HD11 LEU A 41 43.387 -6.828 8.126 1.00 1.00 H new ATOM 0 HD12 LEU A 41 44.917 -7.677 7.805 1.00 1.00 H new ATOM 0 HD13 LEU A 41 43.978 -8.058 9.268 1.00 1.00 H new ATOM 0 HD21 LEU A 41 43.245 -5.172 9.994 1.00 1.00 H new ATOM 0 HD22 LEU A 41 43.839 -6.405 11.131 1.00 1.00 H new ATOM 0 HD23 LEU A 41 44.676 -4.840 10.999 1.00 1.00 H new ATOM 620 N GLY A 42 47.561 -7.159 12.603 1.00 1.00 N ATOM 621 CA GLY A 42 47.605 -7.537 14.011 1.00 1.00 C ATOM 622 C GLY A 42 48.291 -6.459 14.842 1.00 1.00 C ATOM 623 O GLY A 42 48.294 -6.519 16.072 1.00 1.00 O ATOM 0 H GLY A 42 47.936 -7.859 11.963 1.00 1.00 H new ATOM 0 HA2 GLY A 42 46.592 -7.697 14.381 1.00 1.00 H new ATOM 0 HA3 GLY A 42 48.138 -8.481 14.122 1.00 1.00 H new ATOM 627 N THR A 43 48.872 -5.476 14.162 1.00 1.00 N ATOM 628 CA THR A 43 49.561 -4.387 14.848 1.00 1.00 C ATOM 629 C THR A 43 49.198 -3.046 14.219 1.00 1.00 C ATOM 630 O THR A 43 48.075 -2.566 14.373 1.00 1.00 O ATOM 631 CB THR A 43 51.074 -4.596 14.771 1.00 1.00 C ATOM 632 OG1 THR A 43 51.735 -3.398 15.154 1.00 1.00 O ATOM 633 CG2 THR A 43 51.470 -4.964 13.340 1.00 1.00 C ATOM 0 H THR A 43 48.880 -5.410 13.144 1.00 1.00 H new ATOM 0 HA THR A 43 49.248 -4.383 15.892 1.00 1.00 H new ATOM 0 HB THR A 43 51.364 -5.403 15.443 1.00 1.00 H new ATOM 0 HG1 THR A 43 52.705 -3.530 15.107 1.00 1.00 H new ATOM 0 HG21 THR A 43 52.549 -5.112 13.288 1.00 1.00 H new ATOM 0 HG22 THR A 43 50.963 -5.883 13.047 1.00 1.00 H new ATOM 0 HG23 THR A 43 51.181 -4.159 12.664 1.00 1.00 H new ATOM 641 N THR A 44 50.160 -2.454 13.511 1.00 1.00 N ATOM 642 CA THR A 44 49.954 -1.164 12.850 1.00 1.00 C ATOM 643 C THR A 44 49.014 -0.273 13.658 1.00 1.00 C ATOM 644 O THR A 44 48.165 0.419 13.096 1.00 1.00 O ATOM 645 CB THR A 44 49.388 -1.372 11.440 1.00 1.00 C ATOM 646 OG1 THR A 44 49.098 -0.109 10.860 1.00 1.00 O ATOM 647 CG2 THR A 44 48.108 -2.209 11.505 1.00 1.00 C ATOM 0 H THR A 44 51.092 -2.848 13.380 1.00 1.00 H new ATOM 0 HA THR A 44 50.922 -0.667 12.780 1.00 1.00 H new ATOM 0 HB THR A 44 50.125 -1.897 10.833 1.00 1.00 H new ATOM 0 HG1 THR A 44 48.436 0.360 11.411 1.00 1.00 H new ATOM 0 HG21 THR A 44 47.714 -2.351 10.498 1.00 1.00 H new ATOM 0 HG22 THR A 44 48.330 -3.180 11.948 1.00 1.00 H new ATOM 0 HG23 THR A 44 47.367 -1.693 12.115 1.00 1.00 H new ATOM 655 N GLY A 45 49.174 -0.296 14.978 1.00 1.00 N ATOM 656 CA GLY A 45 48.335 0.514 15.856 1.00 1.00 C ATOM 657 C GLY A 45 47.310 -0.352 16.579 1.00 1.00 C ATOM 658 O GLY A 45 46.238 0.123 16.955 1.00 1.00 O ATOM 0 H GLY A 45 49.872 -0.862 15.461 1.00 1.00 H new ATOM 0 HA2 GLY A 45 48.958 1.032 16.585 1.00 1.00 H new ATOM 0 HA3 GLY A 45 47.824 1.279 15.272 1.00 1.00 H new ATOM 662 N ASN A 46 47.647 -1.624 16.772 1.00 1.00 N ATOM 663 CA ASN A 46 46.749 -2.552 17.452 1.00 1.00 C ATOM 664 C ASN A 46 47.508 -3.369 18.493 1.00 1.00 C ATOM 665 O ASN A 46 46.957 -3.732 19.533 1.00 1.00 O ATOM 666 CB ASN A 46 46.101 -3.493 16.436 1.00 1.00 C ATOM 667 CG ASN A 46 45.162 -2.710 15.524 1.00 1.00 C ATOM 668 OD1 ASN A 46 43.976 -3.026 15.434 1.00 1.00 O ATOM 669 ND2 ASN A 46 45.626 -1.702 14.837 1.00 1.00 N ATOM 0 H ASN A 46 48.530 -2.034 16.469 1.00 1.00 H new ATOM 0 HA ASN A 46 45.975 -1.973 17.955 1.00 1.00 H new ATOM 0 HB2 ASN A 46 46.871 -3.986 15.842 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.548 -4.276 16.955 1.00 1.00 H new ATOM 0 HD21 ASN A 46 45.005 -1.174 14.224 1.00 1.00 H new ATOM 0 HD22 ASN A 46 46.609 -1.442 14.913 1.00 1.00 H new ATOM 676 N GLY A 47 48.774 -3.654 18.207 1.00 1.00 N ATOM 677 CA GLY A 47 49.598 -4.429 19.127 1.00 1.00 C ATOM 678 C GLY A 47 50.347 -3.514 20.090 1.00 1.00 C ATOM 679 O GLY A 47 51.051 -3.981 20.985 1.00 1.00 O ATOM 0 H GLY A 47 49.249 -3.363 17.353 1.00 1.00 H new ATOM 0 HA2 GLY A 47 48.970 -5.120 19.690 1.00 1.00 H new ATOM 0 HA3 GLY A 47 50.310 -5.032 18.564 1.00 1.00 H new ATOM 683 N LEU A 48 50.189 -2.208 19.898 1.00 1.00 N ATOM 684 CA LEU A 48 50.856 -1.234 20.754 1.00 1.00 C ATOM 685 C LEU A 48 49.904 -0.096 21.111 1.00 1.00 C ATOM 686 O LEU A 48 50.320 1.056 21.236 1.00 1.00 O ATOM 687 CB LEU A 48 52.087 -0.669 20.044 1.00 1.00 C ATOM 688 CG LEU A 48 51.727 -0.315 18.601 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.441 0.977 18.199 1.00 1.00 C ATOM 690 CD2 LEU A 48 52.167 -1.449 17.673 1.00 1.00 C ATOM 0 H LEU A 48 49.610 -1.802 19.163 1.00 1.00 H new ATOM 0 HA LEU A 48 51.166 -1.736 21.671 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.447 0.216 20.568 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.896 -1.400 20.059 1.00 1.00 H new ATOM 0 HG LEU A 48 50.649 -0.175 18.520 1.00 1.00 H new ATOM 0 HD11 LEU A 48 52.184 1.230 17.170 1.00 1.00 H new ATOM 0 HD12 LEU A 48 52.129 1.786 18.860 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.519 0.837 18.280 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.911 -1.197 16.644 1.00 1.00 H new ATOM 0 HD22 LEU A 48 53.245 -1.588 17.755 1.00 1.00 H new ATOM 0 HD23 LEU A 48 51.659 -2.370 17.958 1.00 1.00 H new ATOM 702 N VAL A 49 48.628 -0.428 21.274 1.00 1.00 N ATOM 703 CA VAL A 49 47.627 0.575 21.617 1.00 1.00 C ATOM 704 C VAL A 49 46.621 0.010 22.615 1.00 1.00 C ATOM 705 O VAL A 49 46.385 0.595 23.672 1.00 1.00 O ATOM 706 CB VAL A 49 46.892 1.032 20.355 1.00 1.00 C ATOM 707 CG1 VAL A 49 46.071 2.285 20.667 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.913 1.353 19.260 1.00 1.00 C ATOM 0 H VAL A 49 48.265 -1.376 21.175 1.00 1.00 H new ATOM 0 HA VAL A 49 48.135 1.426 22.071 1.00 1.00 H new ATOM 0 HB VAL A 49 46.228 0.238 20.014 1.00 1.00 H new ATOM 0 HG11 VAL A 49 45.548 2.610 19.768 1.00 1.00 H new ATOM 0 HG12 VAL A 49 45.345 2.059 21.448 1.00 1.00 H new ATOM 0 HG13 VAL A 49 46.735 3.079 21.008 1.00 1.00 H new ATOM 0 HG21 VAL A 49 47.391 1.679 18.360 1.00 1.00 H new ATOM 0 HG22 VAL A 49 48.576 2.147 19.602 1.00 1.00 H new ATOM 0 HG23 VAL A 49 48.499 0.462 19.037 1.00 1.00 H new ATOM 718 N LEU A 50 46.033 -1.132 22.273 1.00 1.00 N ATOM 719 CA LEU A 50 45.055 -1.768 23.148 1.00 1.00 C ATOM 720 C LEU A 50 45.692 -2.920 23.917 1.00 1.00 C ATOM 721 O LEU A 50 45.240 -3.279 25.005 1.00 1.00 O ATOM 722 CB LEU A 50 43.878 -2.292 22.322 1.00 1.00 C ATOM 723 CG LEU A 50 44.377 -3.348 21.335 1.00 1.00 C ATOM 724 CD1 LEU A 50 43.895 -4.731 21.778 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.828 -3.041 19.940 1.00 1.00 C ATOM 0 H LEU A 50 46.215 -1.633 21.403 1.00 1.00 H new ATOM 0 HA LEU A 50 44.697 -1.025 23.861 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.122 -2.722 22.979 1.00 1.00 H new ATOM 0 HB3 LEU A 50 43.404 -1.471 21.784 1.00 1.00 H new ATOM 0 HG LEU A 50 45.467 -3.334 21.310 1.00 1.00 H new ATOM 0 HD11 LEU A 50 44.251 -5.483 21.074 1.00 1.00 H new ATOM 0 HD12 LEU A 50 44.285 -4.951 22.772 1.00 1.00 H new ATOM 0 HD13 LEU A 50 42.805 -4.745 21.804 1.00 1.00 H new ATOM 0 HD21 LEU A 50 44.183 -3.793 19.236 1.00 1.00 H new ATOM 0 HD22 LEU A 50 42.738 -3.055 19.967 1.00 1.00 H new ATOM 0 HD23 LEU A 50 44.171 -2.056 19.623 1.00 1.00 H new ATOM 737 N TRP A 51 46.746 -3.495 23.346 1.00 1.00 N ATOM 738 CA TRP A 51 47.438 -4.606 23.987 1.00 1.00 C ATOM 739 C TRP A 51 48.266 -4.110 25.169 1.00 1.00 C ATOM 740 O TRP A 51 48.538 -4.860 26.107 1.00 1.00 O ATOM 741 CB TRP A 51 48.352 -5.305 22.979 1.00 1.00 C ATOM 742 CG TRP A 51 49.679 -5.575 23.613 1.00 1.00 C ATOM 743 CD1 TRP A 51 50.689 -4.681 23.711 1.00 1.00 C ATOM 744 CD2 TRP A 51 50.156 -6.803 24.235 1.00 1.00 C ATOM 745 NE1 TRP A 51 51.757 -5.281 24.355 1.00 1.00 N ATOM 746 CE2 TRP A 51 51.477 -6.589 24.698 1.00 1.00 C ATOM 747 CE3 TRP A 51 49.579 -8.069 24.441 1.00 1.00 C ATOM 748 CZ2 TRP A 51 52.198 -7.595 25.341 1.00 1.00 C ATOM 749 CZ3 TRP A 51 50.302 -9.084 25.089 1.00 1.00 C ATOM 750 CH2 TRP A 51 51.608 -8.847 25.538 1.00 1.00 C ATOM 0 H TRP A 51 47.137 -3.212 22.447 1.00 1.00 H new ATOM 0 HA TRP A 51 46.692 -5.313 24.350 1.00 1.00 H new ATOM 0 HB2 TRP A 51 47.899 -6.239 22.648 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.480 -4.681 22.094 1.00 1.00 H new ATOM 0 HD1 TRP A 51 50.666 -3.665 23.346 1.00 1.00 H new ATOM 0 HE1 TRP A 51 52.642 -4.814 24.552 1.00 1.00 H new ATOM 0 HE3 TRP A 51 48.573 -8.262 24.099 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 53.205 -7.408 25.684 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 49.849 -10.052 25.242 1.00 1.00 H new ATOM 0 HH2 TRP A 51 52.159 -9.631 26.036 1.00 1.00 H new ATOM 761 N THR A 52 48.663 -2.843 25.116 1.00 1.00 N ATOM 762 CA THR A 52 49.461 -2.258 26.187 1.00 1.00 C ATOM 763 C THR A 52 48.637 -2.145 27.466 1.00 1.00 C ATOM 764 O THR A 52 49.149 -2.352 28.567 1.00 1.00 O ATOM 765 CB THR A 52 49.956 -0.871 25.773 1.00 1.00 C ATOM 766 OG1 THR A 52 50.870 -0.385 26.746 1.00 1.00 O ATOM 767 CG2 THR A 52 48.768 0.086 25.662 1.00 1.00 C ATOM 0 H THR A 52 48.447 -2.206 24.349 1.00 1.00 H new ATOM 0 HA THR A 52 50.316 -2.907 26.374 1.00 1.00 H new ATOM 0 HB THR A 52 50.456 -0.938 24.807 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.189 0.503 26.481 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.123 1.074 25.367 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.069 -0.287 24.913 1.00 1.00 H new ATOM 0 HG23 THR A 52 48.265 0.154 26.626 1.00 1.00 H new ATOM 775 N VAL A 53 47.359 -1.813 27.315 1.00 1.00 N ATOM 776 CA VAL A 53 46.474 -1.675 28.465 1.00 1.00 C ATOM 777 C VAL A 53 46.618 -2.871 29.399 1.00 1.00 C ATOM 778 O VAL A 53 47.010 -2.724 30.557 1.00 1.00 O ATOM 779 CB VAL A 53 45.023 -1.562 27.997 1.00 1.00 C ATOM 780 CG1 VAL A 53 44.108 -1.377 29.208 1.00 1.00 C ATOM 781 CG2 VAL A 53 44.881 -0.357 27.062 1.00 1.00 C ATOM 0 H VAL A 53 46.916 -1.636 26.414 1.00 1.00 H new ATOM 0 HA VAL A 53 46.752 -0.771 29.007 1.00 1.00 H new ATOM 0 HB VAL A 53 44.742 -2.471 27.465 1.00 1.00 H new ATOM 0 HG11 VAL A 53 43.074 -1.296 28.874 1.00 1.00 H new ATOM 0 HG12 VAL A 53 44.208 -2.234 29.874 1.00 1.00 H new ATOM 0 HG13 VAL A 53 44.389 -0.468 29.741 1.00 1.00 H new ATOM 0 HG21 VAL A 53 43.847 -0.276 26.728 1.00 1.00 H new ATOM 0 HG22 VAL A 53 45.163 0.552 27.594 1.00 1.00 H new ATOM 0 HG23 VAL A 53 45.532 -0.488 26.198 1.00 1.00 H new ATOM 791 N PHE A 54 46.298 -4.056 28.888 1.00 1.00 N ATOM 792 CA PHE A 54 46.396 -5.272 29.686 1.00 1.00 C ATOM 793 C PHE A 54 47.856 -5.661 29.894 1.00 1.00 C ATOM 794 O PHE A 54 48.260 -6.783 29.588 1.00 1.00 O ATOM 795 CB PHE A 54 45.656 -6.416 28.990 1.00 1.00 C ATOM 796 CG PHE A 54 44.170 -6.255 29.199 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.578 -6.703 30.386 1.00 1.00 C ATOM 798 CD2 PHE A 54 43.383 -5.659 28.206 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.199 -6.555 30.581 1.00 1.00 C ATOM 800 CE2 PHE A 54 42.005 -5.510 28.400 1.00 1.00 C ATOM 801 CZ PHE A 54 41.412 -5.958 29.587 1.00 1.00 C ATOM 0 H PHE A 54 45.971 -4.199 27.932 1.00 1.00 H new ATOM 0 HA PHE A 54 45.940 -5.083 30.658 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.886 -6.417 27.925 1.00 1.00 H new ATOM 0 HB3 PHE A 54 45.988 -7.374 29.389 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.185 -7.163 31.152 1.00 1.00 H new ATOM 0 HD2 PHE A 54 43.840 -5.314 27.290 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.743 -6.901 31.497 1.00 1.00 H new ATOM 0 HE2 PHE A 54 41.399 -5.049 27.634 1.00 1.00 H new ATOM 0 HZ PHE A 54 40.349 -5.843 29.736 1.00 1.00 H new ATOM 811 N ARG A 55 48.644 -4.727 30.418 1.00 1.00 N ATOM 812 CA ARG A 55 50.058 -4.982 30.663 1.00 1.00 C ATOM 813 C ARG A 55 50.632 -3.945 31.622 1.00 1.00 C ATOM 814 O ARG A 55 51.312 -4.289 32.588 1.00 1.00 O ATOM 815 CB ARG A 55 50.831 -4.946 29.343 1.00 1.00 C ATOM 816 CG ARG A 55 52.258 -5.447 29.573 1.00 1.00 C ATOM 817 CD ARG A 55 52.441 -6.800 28.881 1.00 1.00 C ATOM 818 NE ARG A 55 53.733 -7.376 29.235 1.00 1.00 N ATOM 819 CZ ARG A 55 54.053 -8.616 28.881 1.00 1.00 C ATOM 820 NH1 ARG A 55 53.203 -9.340 28.205 1.00 1.00 N ATOM 821 NH2 ARG A 55 55.215 -9.111 29.209 1.00 1.00 N ATOM 0 H ARG A 55 48.329 -3.793 30.679 1.00 1.00 H new ATOM 0 HA ARG A 55 50.157 -5.969 31.114 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.331 -5.568 28.600 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.850 -3.930 28.948 1.00 1.00 H new ATOM 0 HG2 ARG A 55 52.976 -4.726 29.181 1.00 1.00 H new ATOM 0 HG3 ARG A 55 52.453 -5.543 30.641 1.00 1.00 H new ATOM 0 HD2 ARG A 55 51.640 -7.478 29.174 1.00 1.00 H new ATOM 0 HD3 ARG A 55 52.374 -6.676 27.800 1.00 1.00 H new ATOM 0 HE ARG A 55 54.403 -6.817 29.764 1.00 1.00 H new ATOM 0 HH11 ARG A 55 52.294 -8.954 27.949 1.00 1.00 H new ATOM 0 HH12 ARG A 55 53.447 -10.292 27.933 1.00 1.00 H new ATOM 0 HH21 ARG A 55 55.879 -8.546 29.738 1.00 1.00 H new ATOM 0 HH22 ARG A 55 55.459 -10.063 28.936 1.00 1.00 H new ATOM 835 N LYS A 56 50.356 -2.675 31.346 1.00 1.00 N ATOM 836 CA LYS A 56 50.850 -1.594 32.191 1.00 1.00 C ATOM 837 C LYS A 56 50.274 -1.708 33.599 1.00 1.00 C ATOM 838 O LYS A 56 50.773 -1.087 34.537 1.00 1.00 O ATOM 839 CB LYS A 56 50.467 -0.241 31.588 1.00 1.00 C ATOM 840 CG LYS A 56 48.958 -0.205 31.335 1.00 1.00 C ATOM 841 CD LYS A 56 48.334 0.944 32.132 1.00 1.00 C ATOM 842 CE LYS A 56 46.829 0.993 31.862 1.00 1.00 C ATOM 843 NZ LYS A 56 46.230 2.138 32.603 1.00 1.00 N ATOM 0 H LYS A 56 49.797 -2.370 30.549 1.00 1.00 H new ATOM 0 HA LYS A 56 51.936 -1.671 32.248 1.00 1.00 H new ATOM 0 HB2 LYS A 56 50.753 0.565 32.264 1.00 1.00 H new ATOM 0 HB3 LYS A 56 51.007 -0.080 30.655 1.00 1.00 H new ATOM 0 HG2 LYS A 56 48.760 -0.074 30.271 1.00 1.00 H new ATOM 0 HG3 LYS A 56 48.507 -1.153 31.629 1.00 1.00 H new ATOM 0 HD2 LYS A 56 48.519 0.805 33.197 1.00 1.00 H new ATOM 0 HD3 LYS A 56 48.796 1.890 31.849 1.00 1.00 H new ATOM 0 HE2 LYS A 56 46.643 1.100 30.793 1.00 1.00 H new ATOM 0 HE3 LYS A 56 46.362 0.059 32.174 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 45.207 2.173 32.420 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 46.396 2.017 33.622 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 46.669 3.025 32.284 1.00 1.00 H new ATOM 857 N LYS A 57 49.220 -2.506 33.738 1.00 1.00 N ATOM 858 CA LYS A 57 48.583 -2.694 35.037 1.00 1.00 C ATOM 859 C LYS A 57 49.556 -3.331 36.023 1.00 1.00 C ATOM 860 O LYS A 57 49.535 -3.026 37.216 1.00 1.00 O ATOM 861 CB LYS A 57 47.347 -3.583 34.889 1.00 1.00 C ATOM 862 CG LYS A 57 46.461 -3.043 33.765 1.00 1.00 C ATOM 863 CD LYS A 57 44.993 -3.330 34.091 1.00 1.00 C ATOM 864 CE LYS A 57 44.450 -2.234 35.009 1.00 1.00 C ATOM 865 NZ LYS A 57 43.823 -1.161 34.187 1.00 1.00 N ATOM 0 H LYS A 57 48.792 -3.029 32.974 1.00 1.00 H new ATOM 0 HA LYS A 57 48.284 -1.718 35.419 1.00 1.00 H new ATOM 0 HB2 LYS A 57 47.647 -4.608 34.669 1.00 1.00 H new ATOM 0 HB3 LYS A 57 46.790 -3.608 35.825 1.00 1.00 H new ATOM 0 HG2 LYS A 57 46.616 -1.970 33.649 1.00 1.00 H new ATOM 0 HG3 LYS A 57 46.732 -3.509 32.818 1.00 1.00 H new ATOM 0 HD2 LYS A 57 44.407 -3.373 33.173 1.00 1.00 H new ATOM 0 HD3 LYS A 57 44.900 -4.303 34.574 1.00 1.00 H new ATOM 0 HE2 LYS A 57 43.717 -2.653 35.699 1.00 1.00 H new ATOM 0 HE3 LYS A 57 45.256 -1.819 35.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 43.454 -0.416 34.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 44.534 -0.755 33.546 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 43.043 -1.563 33.629 1.00 1.00 H new ATOM 879 N GLY A 58 50.409 -4.217 35.518 1.00 1.00 N ATOM 880 CA GLY A 58 51.386 -4.890 36.365 1.00 1.00 C ATOM 881 C GLY A 58 51.810 -6.221 35.754 1.00 1.00 C ATOM 882 O GLY A 58 51.651 -7.276 36.368 1.00 1.00 O ATOM 0 H GLY A 58 50.443 -4.484 34.534 1.00 1.00 H new ATOM 0 HA2 GLY A 58 52.259 -4.251 36.498 1.00 1.00 H new ATOM 0 HA3 GLY A 58 50.961 -5.058 37.354 1.00 1.00 H new ATOM 886 N HIS A 59 52.352 -6.163 34.541 1.00 1.00 N ATOM 887 CA HIS A 59 52.799 -7.367 33.850 1.00 1.00 C ATOM 888 C HIS A 59 51.659 -8.374 33.732 1.00 1.00 C ATOM 889 O HIS A 59 51.018 -8.483 32.687 1.00 1.00 O ATOM 890 CB HIS A 59 53.968 -8.002 34.605 1.00 1.00 C ATOM 891 CG HIS A 59 55.249 -7.312 34.218 1.00 1.00 C ATOM 892 ND1 HIS A 59 56.288 -7.980 33.591 1.00 1.00 N ATOM 893 CD2 HIS A 59 55.670 -6.013 34.362 1.00 1.00 C ATOM 894 CE1 HIS A 59 57.276 -7.091 33.383 1.00 1.00 C ATOM 895 NE2 HIS A 59 56.951 -5.876 33.835 1.00 1.00 N ATOM 0 H HIS A 59 52.492 -5.298 34.018 1.00 1.00 H new ATOM 0 HA HIS A 59 53.125 -7.086 32.848 1.00 1.00 H new ATOM 0 HB2 HIS A 59 53.808 -7.919 35.680 1.00 1.00 H new ATOM 0 HB3 HIS A 59 54.030 -9.065 34.373 1.00 1.00 H new ATOM 0 HD2 HIS A 59 55.095 -5.219 34.815 1.00 1.00 H new ATOM 0 HE1 HIS A 59 58.217 -7.330 32.909 1.00 1.00 H new ATOM 0 HE2 HIS A 59 57.520 -5.030 33.801 1.00 1.00 H new ATOM 903 N HIS A 60 51.411 -9.107 34.812 1.00 1.00 N ATOM 904 CA HIS A 60 50.345 -10.102 34.820 1.00 1.00 C ATOM 905 C HIS A 60 49.101 -9.550 35.507 1.00 1.00 C ATOM 906 O HIS A 60 48.117 -9.210 34.851 1.00 1.00 O ATOM 907 CB HIS A 60 50.815 -11.364 35.547 1.00 1.00 C ATOM 908 CG HIS A 60 52.190 -11.739 35.067 1.00 1.00 C ATOM 909 ND1 HIS A 60 53.106 -12.385 35.881 1.00 1.00 N ATOM 910 CD2 HIS A 60 52.819 -11.564 33.859 1.00 1.00 C ATOM 911 CE1 HIS A 60 54.226 -12.575 35.160 1.00 1.00 C ATOM 912 NE2 HIS A 60 54.105 -12.094 33.920 1.00 1.00 N ATOM 0 H HIS A 60 51.929 -9.032 35.687 1.00 1.00 H new ATOM 0 HA HIS A 60 50.096 -10.349 33.788 1.00 1.00 H new ATOM 0 HB2 HIS A 60 50.829 -11.192 36.623 1.00 1.00 H new ATOM 0 HB3 HIS A 60 50.119 -12.182 35.364 1.00 1.00 H new ATOM 0 HD2 HIS A 60 52.383 -11.088 32.993 1.00 1.00 H new ATOM 0 HE1 HIS A 60 55.115 -13.058 35.538 1.00 1.00 H new ATOM 0 HE2 HIS A 60 54.804 -12.111 33.178 1.00 1.00 H new ATOM 920 N HIS A 61 49.152 -9.463 36.832 1.00 1.00 N ATOM 921 CA HIS A 61 48.022 -8.950 37.599 1.00 1.00 C ATOM 922 C HIS A 61 48.487 -8.433 38.957 1.00 1.00 C ATOM 923 O HIS A 61 48.815 -9.215 39.850 1.00 1.00 O ATOM 924 CB HIS A 61 46.982 -10.053 37.798 1.00 1.00 C ATOM 925 CG HIS A 61 46.137 -10.176 36.560 1.00 1.00 C ATOM 926 ND1 HIS A 61 45.570 -9.073 35.940 1.00 1.00 N ATOM 927 CD2 HIS A 61 45.754 -11.263 35.815 1.00 1.00 C ATOM 928 CE1 HIS A 61 44.882 -9.517 34.872 1.00 1.00 C ATOM 929 NE2 HIS A 61 44.961 -10.845 34.749 1.00 1.00 N ATOM 0 H HIS A 61 49.957 -9.739 37.394 1.00 1.00 H new ATOM 0 HA HIS A 61 47.574 -8.126 37.044 1.00 1.00 H new ATOM 0 HB2 HIS A 61 47.477 -11.001 38.008 1.00 1.00 H new ATOM 0 HB3 HIS A 61 46.354 -9.824 38.659 1.00 1.00 H new ATOM 0 HD2 HIS A 61 46.026 -12.287 36.024 1.00 1.00 H new ATOM 0 HE1 HIS A 61 44.333 -8.878 34.197 1.00 1.00 H new ATOM 0 HE2 HIS A 61 44.533 -11.427 34.029 1.00 1.00 H new ATOM 937 N HIS A 62 48.511 -7.113 39.106 1.00 1.00 N ATOM 938 CA HIS A 62 48.937 -6.503 40.360 1.00 1.00 C ATOM 939 C HIS A 62 47.976 -6.868 41.487 1.00 1.00 C ATOM 940 O HIS A 62 48.316 -6.757 42.665 1.00 1.00 O ATOM 941 CB HIS A 62 48.994 -4.982 40.208 1.00 1.00 C ATOM 942 CG HIS A 62 49.768 -4.393 41.355 1.00 1.00 C ATOM 943 ND1 HIS A 62 49.226 -4.265 42.625 1.00 1.00 N ATOM 944 CD2 HIS A 62 51.043 -3.891 41.441 1.00 1.00 C ATOM 945 CE1 HIS A 62 50.163 -3.708 43.412 1.00 1.00 C ATOM 946 NE2 HIS A 62 51.290 -3.459 42.740 1.00 1.00 N ATOM 0 H HIS A 62 48.243 -6.449 38.380 1.00 1.00 H new ATOM 0 HA HIS A 62 49.929 -6.881 40.607 1.00 1.00 H new ATOM 0 HB2 HIS A 62 49.467 -4.718 39.262 1.00 1.00 H new ATOM 0 HB3 HIS A 62 47.985 -4.570 40.186 1.00 1.00 H new ATOM 0 HD1 HIS A 62 48.287 -4.543 42.910 1.00 1.00 H new ATOM 0 HD2 HIS A 62 51.747 -3.839 40.624 1.00 1.00 H new ATOM 0 HE1 HIS A 62 50.022 -3.489 44.460 1.00 1.00 H new ATOM 954 N HIS A 63 46.776 -7.303 41.116 1.00 1.00 N ATOM 955 CA HIS A 63 45.772 -7.682 42.099 1.00 1.00 C ATOM 956 C HIS A 63 45.120 -9.000 41.710 1.00 1.00 C ATOM 957 O HIS A 63 45.753 -9.872 41.118 1.00 1.00 O ATOM 958 CB HIS A 63 44.704 -6.592 42.199 1.00 1.00 C ATOM 959 CG HIS A 63 44.116 -6.589 43.583 1.00 1.00 C ATOM 960 ND1 HIS A 63 42.748 -6.591 43.806 1.00 1.00 N ATOM 961 CD2 HIS A 63 44.699 -6.585 44.826 1.00 1.00 C ATOM 962 CE1 HIS A 63 42.554 -6.588 45.138 1.00 1.00 C ATOM 963 NE2 HIS A 63 43.710 -6.584 45.807 1.00 1.00 N ATOM 0 H HIS A 63 46.478 -7.401 40.146 1.00 1.00 H new ATOM 0 HA HIS A 63 46.260 -7.801 43.066 1.00 1.00 H new ATOM 0 HB2 HIS A 63 45.141 -5.619 41.976 1.00 1.00 H new ATOM 0 HB3 HIS A 63 43.921 -6.766 41.461 1.00 1.00 H new ATOM 0 HD2 HIS A 63 45.762 -6.583 45.015 1.00 1.00 H new ATOM 0 HE1 HIS A 63 41.582 -6.589 45.609 1.00 1.00 H new ATOM 0 HE2 HIS A 63 43.841 -6.581 46.819 1.00 1.00 H new ATOM 971 N HIS A 64 43.849 -9.129 42.050 1.00 1.00 N ATOM 972 CA HIS A 64 43.099 -10.340 41.741 1.00 1.00 C ATOM 973 C HIS A 64 41.707 -9.991 41.223 1.00 1.00 C ATOM 974 O HIS A 64 41.251 -10.658 40.309 1.00 1.00 O ATOM 975 CB HIS A 64 42.976 -11.213 42.990 1.00 1.00 C ATOM 976 CG HIS A 64 44.229 -12.028 43.157 1.00 1.00 C ATOM 977 ND1 HIS A 64 44.835 -12.679 42.094 1.00 1.00 N ATOM 978 CD2 HIS A 64 45.003 -12.308 44.257 1.00 1.00 C ATOM 979 CE1 HIS A 64 45.922 -13.312 42.570 1.00 1.00 C ATOM 980 NE2 HIS A 64 46.072 -13.118 43.884 1.00 1.00 N ATOM 981 OXT HIS A 64 41.117 -9.061 41.748 1.00 1.00 O ATOM 0 H HIS A 64 43.313 -8.412 42.540 1.00 1.00 H new ATOM 0 HA HIS A 64 43.636 -10.888 40.967 1.00 1.00 H new ATOM 0 HB2 HIS A 64 42.816 -10.589 43.869 1.00 1.00 H new ATOM 0 HB3 HIS A 64 42.111 -11.870 42.904 1.00 1.00 H new ATOM 0 HD2 HIS A 64 44.811 -11.954 45.259 1.00 1.00 H new ATOM 0 HE1 HIS A 64 46.592 -13.905 41.965 1.00 1.00 H new ATOM 0 HE2 HIS A 64 46.811 -13.485 44.484 1.00 1.00 H new TER 989 HIS A 64