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 Set 1.1: A 25 LYS NZ :NH3+ -162:sc= 0.432 (180deg=-1.35!) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0.531 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -159:sc=-0.00247 (180deg=-0.294) USER MOD Single : A 9 ASN : amide:sc= -0.574 X(o=-0.57,f=-1.1) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.034) USER MOD Single : A 17 SER OG : rot -63:sc= 0.251 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 26 SER OG : rot 27:sc= 0.656 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.696! USER MOD Single : A 44 THR OG1 : rot -62:sc= 1.18 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.225 F(o=-0.93,f=-0.23) USER MOD Single : A 60 HIS : no HE2:sc= -5.34! C(o=-5.3!,f=-7.3!) USER MOD Single : A 61 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -1.59! C(o=-3!,f=-1.6!) USER MOD Single : A 64 HIS : no HD1:sc=-0.000624 X(o=-0.00062,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 66.450 -7.150 -46.605 1.00 1.00 N ATOM 2 CA MET A 1 65.361 -7.594 -45.690 1.00 1.00 C ATOM 3 C MET A 1 64.420 -6.426 -45.418 1.00 1.00 C ATOM 4 O MET A 1 64.749 -5.514 -44.658 1.00 1.00 O ATOM 5 CB MET A 1 65.972 -8.088 -44.377 1.00 1.00 C ATOM 6 CG MET A 1 66.958 -9.221 -44.667 1.00 1.00 C ATOM 7 SD MET A 1 66.757 -10.526 -43.430 1.00 1.00 S ATOM 8 CE MET A 1 66.280 -11.848 -44.569 1.00 1.00 C ATOM 0 H1 MET A 1 66.872 -7.979 -47.070 1.00 1.00 H new ATOM 0 H2 MET A 1 66.059 -6.510 -47.325 1.00 1.00 H new ATOM 0 H3 MET A 1 67.181 -6.651 -46.059 1.00 1.00 H new ATOM 0 HA MET A 1 64.799 -8.406 -46.153 1.00 1.00 H new ATOM 0 HB2 MET A 1 66.482 -7.269 -43.870 1.00 1.00 H new ATOM 0 HB3 MET A 1 65.187 -8.438 -43.707 1.00 1.00 H new ATOM 0 HG2 MET A 1 66.785 -9.622 -45.666 1.00 1.00 H new ATOM 0 HG3 MET A 1 67.980 -8.842 -44.649 1.00 1.00 H new ATOM 0 HE1 MET A 1 66.103 -12.766 -44.008 1.00 1.00 H new ATOM 0 HE2 MET A 1 65.369 -11.564 -45.095 1.00 1.00 H new ATOM 0 HE3 MET A 1 67.080 -12.012 -45.291 1.00 1.00 H new ATOM 20 N GLU A 2 63.248 -6.458 -46.044 1.00 1.00 N ATOM 21 CA GLU A 2 62.266 -5.395 -45.863 1.00 1.00 C ATOM 22 C GLU A 2 61.417 -5.657 -44.622 1.00 1.00 C ATOM 23 O GLU A 2 60.369 -5.039 -44.435 1.00 1.00 O ATOM 24 CB GLU A 2 61.361 -5.304 -47.093 1.00 1.00 C ATOM 25 CG GLU A 2 60.481 -6.553 -47.173 1.00 1.00 C ATOM 26 CD GLU A 2 60.074 -6.811 -48.620 1.00 1.00 C ATOM 27 OE1 GLU A 2 59.058 -6.277 -49.034 1.00 1.00 O ATOM 28 OE2 GLU A 2 60.783 -7.540 -49.292 1.00 1.00 O ATOM 0 H GLU A 2 62.956 -7.203 -46.677 1.00 1.00 H new ATOM 0 HA GLU A 2 62.798 -4.452 -45.734 1.00 1.00 H new ATOM 0 HB2 GLU A 2 60.739 -4.411 -47.034 1.00 1.00 H new ATOM 0 HB3 GLU A 2 61.965 -5.213 -47.996 1.00 1.00 H new ATOM 0 HG2 GLU A 2 61.021 -7.414 -46.779 1.00 1.00 H new ATOM 0 HG3 GLU A 2 59.593 -6.423 -46.554 1.00 1.00 H new ATOM 35 N GLU A 3 61.876 -6.577 -43.781 1.00 1.00 N ATOM 36 CA GLU A 3 61.150 -6.912 -42.561 1.00 1.00 C ATOM 37 C GLU A 3 59.653 -7.011 -42.839 1.00 1.00 C ATOM 38 O GLU A 3 58.864 -6.214 -42.331 1.00 1.00 O ATOM 39 CB GLU A 3 61.404 -5.847 -41.493 1.00 1.00 C ATOM 40 CG GLU A 3 62.861 -5.922 -41.033 1.00 1.00 C ATOM 41 CD GLU A 3 63.146 -4.814 -40.024 1.00 1.00 C ATOM 42 OE1 GLU A 3 62.340 -4.635 -39.126 1.00 1.00 O ATOM 43 OE2 GLU A 3 64.166 -4.160 -40.165 1.00 1.00 O ATOM 0 H GLU A 3 62.740 -7.101 -43.919 1.00 1.00 H new ATOM 0 HA GLU A 3 61.506 -7.878 -42.202 1.00 1.00 H new ATOM 0 HB2 GLU A 3 61.189 -4.856 -41.894 1.00 1.00 H new ATOM 0 HB3 GLU A 3 60.736 -6.000 -40.646 1.00 1.00 H new ATOM 0 HG2 GLU A 3 63.060 -6.895 -40.583 1.00 1.00 H new ATOM 0 HG3 GLU A 3 63.527 -5.825 -41.890 1.00 1.00 H new ATOM 50 N GLY A 4 59.270 -7.994 -43.647 1.00 1.00 N ATOM 51 CA GLY A 4 57.865 -8.187 -43.986 1.00 1.00 C ATOM 52 C GLY A 4 57.504 -9.669 -43.989 1.00 1.00 C ATOM 53 O GLY A 4 57.648 -10.350 -45.004 1.00 1.00 O ATOM 0 H GLY A 4 59.907 -8.665 -44.076 1.00 1.00 H new ATOM 0 HA2 GLY A 4 57.238 -7.657 -43.269 1.00 1.00 H new ATOM 0 HA3 GLY A 4 57.661 -7.757 -44.967 1.00 1.00 H new ATOM 57 N GLY A 5 57.035 -10.160 -42.848 1.00 1.00 N ATOM 58 CA GLY A 5 56.657 -11.564 -42.731 1.00 1.00 C ATOM 59 C GLY A 5 57.887 -12.447 -42.553 1.00 1.00 C ATOM 60 O GLY A 5 58.537 -12.824 -43.529 1.00 1.00 O ATOM 0 H GLY A 5 56.908 -9.612 -41.997 1.00 1.00 H new ATOM 0 HA2 GLY A 5 55.985 -11.694 -41.882 1.00 1.00 H new ATOM 0 HA3 GLY A 5 56.109 -11.872 -43.621 1.00 1.00 H new ATOM 64 N ASP A 6 58.200 -12.774 -41.305 1.00 1.00 N ATOM 65 CA ASP A 6 59.356 -13.613 -41.012 1.00 1.00 C ATOM 66 C ASP A 6 58.927 -15.064 -40.808 1.00 1.00 C ATOM 67 O ASP A 6 59.655 -15.991 -41.160 1.00 1.00 O ATOM 68 CB ASP A 6 60.064 -13.108 -39.753 1.00 1.00 C ATOM 69 CG ASP A 6 60.110 -11.583 -39.759 1.00 1.00 C ATOM 70 OD1 ASP A 6 60.976 -11.038 -40.422 1.00 1.00 O ATOM 71 OD2 ASP A 6 59.277 -10.983 -39.099 1.00 1.00 O ATOM 0 H ASP A 6 57.674 -12.474 -40.485 1.00 1.00 H new ATOM 0 HA ASP A 6 60.041 -13.563 -41.859 1.00 1.00 H new ATOM 0 HB2 ASP A 6 59.541 -13.461 -38.865 1.00 1.00 H new ATOM 0 HB3 ASP A 6 61.076 -13.511 -39.708 1.00 1.00 H new ATOM 76 N PHE A 7 57.741 -15.250 -40.237 1.00 1.00 N ATOM 77 CA PHE A 7 57.225 -16.591 -39.991 1.00 1.00 C ATOM 78 C PHE A 7 58.224 -17.409 -39.178 1.00 1.00 C ATOM 79 O PHE A 7 58.482 -18.573 -39.484 1.00 1.00 O ATOM 80 CB PHE A 7 56.948 -17.296 -41.320 1.00 1.00 C ATOM 81 CG PHE A 7 55.879 -16.543 -42.075 1.00 1.00 C ATOM 82 CD1 PHE A 7 56.236 -15.515 -42.957 1.00 1.00 C ATOM 83 CD2 PHE A 7 54.530 -16.872 -41.894 1.00 1.00 C ATOM 84 CE1 PHE A 7 55.246 -14.817 -43.656 1.00 1.00 C ATOM 85 CE2 PHE A 7 53.539 -16.173 -42.595 1.00 1.00 C ATOM 86 CZ PHE A 7 53.897 -15.146 -43.476 1.00 1.00 C ATOM 0 H PHE A 7 57.124 -14.495 -39.938 1.00 1.00 H new ATOM 0 HA PHE A 7 56.297 -16.505 -39.425 1.00 1.00 H new ATOM 0 HB2 PHE A 7 57.860 -17.347 -41.914 1.00 1.00 H new ATOM 0 HB3 PHE A 7 56.627 -18.322 -41.140 1.00 1.00 H new ATOM 0 HD1 PHE A 7 57.276 -15.261 -43.097 1.00 1.00 H new ATOM 0 HD2 PHE A 7 54.254 -17.664 -41.214 1.00 1.00 H new ATOM 0 HE1 PHE A 7 55.522 -14.024 -44.335 1.00 1.00 H new ATOM 0 HE2 PHE A 7 52.498 -16.427 -42.456 1.00 1.00 H new ATOM 0 HZ PHE A 7 53.133 -14.607 -44.017 1.00 1.00 H new ATOM 96 N ASP A 8 58.784 -16.792 -38.142 1.00 1.00 N ATOM 97 CA ASP A 8 59.754 -17.473 -37.293 1.00 1.00 C ATOM 98 C ASP A 8 59.599 -17.029 -35.841 1.00 1.00 C ATOM 99 O ASP A 8 60.577 -16.668 -35.186 1.00 1.00 O ATOM 100 CB ASP A 8 61.173 -17.168 -37.774 1.00 1.00 C ATOM 101 CG ASP A 8 62.119 -18.287 -37.349 1.00 1.00 C ATOM 102 OD1 ASP A 8 61.778 -19.438 -37.567 1.00 1.00 O ATOM 103 OD2 ASP A 8 63.169 -17.976 -36.812 1.00 1.00 O ATOM 0 H ASP A 8 58.584 -15.829 -37.872 1.00 1.00 H new ATOM 0 HA ASP A 8 59.573 -18.546 -37.354 1.00 1.00 H new ATOM 0 HB2 ASP A 8 61.184 -17.064 -38.859 1.00 1.00 H new ATOM 0 HB3 ASP A 8 61.510 -16.218 -37.359 1.00 1.00 H new ATOM 108 N ASN A 9 58.367 -17.057 -35.347 1.00 1.00 N ATOM 109 CA ASN A 9 58.097 -16.656 -33.971 1.00 1.00 C ATOM 110 C ASN A 9 57.052 -17.572 -33.341 1.00 1.00 C ATOM 111 O ASN A 9 56.075 -17.105 -32.755 1.00 1.00 O ATOM 112 CB ASN A 9 57.597 -15.211 -33.938 1.00 1.00 C ATOM 113 CG ASN A 9 58.545 -14.314 -34.728 1.00 1.00 C ATOM 114 OD1 ASN A 9 59.725 -14.210 -34.395 1.00 1.00 O ATOM 115 ND2 ASN A 9 58.095 -13.655 -35.762 1.00 1.00 N ATOM 0 H ASN A 9 57.544 -17.351 -35.874 1.00 1.00 H new ATOM 0 HA ASN A 9 59.023 -16.734 -33.401 1.00 1.00 H new ATOM 0 HB2 ASN A 9 56.594 -15.155 -34.360 1.00 1.00 H new ATOM 0 HB3 ASN A 9 57.529 -14.864 -32.907 1.00 1.00 H new ATOM 0 HD21 ASN A 9 58.722 -13.053 -36.295 1.00 1.00 H new ATOM 0 HD22 ASN A 9 57.116 -13.743 -36.036 1.00 1.00 H new ATOM 122 N TYR A 10 57.264 -18.877 -33.466 1.00 1.00 N ATOM 123 CA TYR A 10 56.334 -19.850 -32.905 1.00 1.00 C ATOM 124 C TYR A 10 54.892 -19.434 -33.179 1.00 1.00 C ATOM 125 O TYR A 10 53.989 -19.738 -32.400 1.00 1.00 O ATOM 126 CB TYR A 10 56.553 -19.972 -31.396 1.00 1.00 C ATOM 127 CG TYR A 10 56.145 -21.351 -30.936 1.00 1.00 C ATOM 128 CD1 TYR A 10 57.020 -22.431 -31.098 1.00 1.00 C ATOM 129 CD2 TYR A 10 54.889 -21.550 -30.349 1.00 1.00 C ATOM 130 CE1 TYR A 10 56.641 -23.710 -30.673 1.00 1.00 C ATOM 131 CE2 TYR A 10 54.510 -22.828 -29.924 1.00 1.00 C ATOM 132 CZ TYR A 10 55.385 -23.908 -30.085 1.00 1.00 C ATOM 133 OH TYR A 10 55.011 -25.168 -29.666 1.00 1.00 O ATOM 0 H TYR A 10 58.066 -19.284 -33.947 1.00 1.00 H new ATOM 0 HA TYR A 10 56.518 -20.814 -33.378 1.00 1.00 H new ATOM 0 HB2 TYR A 10 57.601 -19.792 -31.154 1.00 1.00 H new ATOM 0 HB3 TYR A 10 55.970 -19.215 -30.871 1.00 1.00 H new ATOM 0 HD1 TYR A 10 57.988 -22.278 -31.551 1.00 1.00 H new ATOM 0 HD2 TYR A 10 54.213 -20.717 -30.224 1.00 1.00 H new ATOM 0 HE1 TYR A 10 57.316 -24.543 -30.798 1.00 1.00 H new ATOM 0 HE2 TYR A 10 53.541 -22.981 -29.471 1.00 1.00 H new ATOM 0 HH TYR A 10 54.111 -25.131 -29.280 1.00 1.00 H new ATOM 143 N TYR A 11 54.686 -18.736 -34.291 1.00 1.00 N ATOM 144 CA TYR A 11 53.349 -18.282 -34.658 1.00 1.00 C ATOM 145 C TYR A 11 52.673 -17.593 -33.477 1.00 1.00 C ATOM 146 O TYR A 11 51.490 -17.810 -33.214 1.00 1.00 O ATOM 147 CB TYR A 11 52.500 -19.472 -35.111 1.00 1.00 C ATOM 148 CG TYR A 11 53.397 -20.540 -35.689 1.00 1.00 C ATOM 149 CD1 TYR A 11 53.760 -20.494 -37.041 1.00 1.00 C ATOM 150 CD2 TYR A 11 53.867 -21.576 -34.873 1.00 1.00 C ATOM 151 CE1 TYR A 11 54.592 -21.484 -37.576 1.00 1.00 C ATOM 152 CE2 TYR A 11 54.699 -22.566 -35.409 1.00 1.00 C ATOM 153 CZ TYR A 11 55.061 -22.520 -36.761 1.00 1.00 C ATOM 154 OH TYR A 11 55.881 -23.496 -37.289 1.00 1.00 O ATOM 0 H TYR A 11 55.420 -18.474 -34.949 1.00 1.00 H new ATOM 0 HA TYR A 11 53.440 -17.568 -35.476 1.00 1.00 H new ATOM 0 HB2 TYR A 11 51.937 -19.872 -34.268 1.00 1.00 H new ATOM 0 HB3 TYR A 11 51.773 -19.151 -35.856 1.00 1.00 H new ATOM 0 HD1 TYR A 11 53.398 -19.695 -37.671 1.00 1.00 H new ATOM 0 HD2 TYR A 11 53.588 -21.611 -33.830 1.00 1.00 H new ATOM 0 HE1 TYR A 11 54.872 -21.448 -38.618 1.00 1.00 H new ATOM 0 HE2 TYR A 11 55.062 -23.365 -34.780 1.00 1.00 H new ATOM 0 HH TYR A 11 56.117 -24.139 -36.588 1.00 1.00 H new ATOM 164 N GLY A 12 53.432 -16.764 -32.769 1.00 1.00 N ATOM 165 CA GLY A 12 52.895 -16.048 -31.617 1.00 1.00 C ATOM 166 C GLY A 12 54.019 -15.460 -30.770 1.00 1.00 C ATOM 167 O GLY A 12 54.140 -14.241 -30.642 1.00 1.00 O ATOM 0 H GLY A 12 54.413 -16.572 -32.970 1.00 1.00 H new ATOM 0 HA2 GLY A 12 52.234 -15.250 -31.955 1.00 1.00 H new ATOM 0 HA3 GLY A 12 52.293 -16.725 -31.011 1.00 1.00 H new ATOM 171 N ALA A 13 54.839 -16.333 -30.194 1.00 1.00 N ATOM 172 CA ALA A 13 55.949 -15.887 -29.360 1.00 1.00 C ATOM 173 C ALA A 13 56.476 -17.039 -28.509 1.00 1.00 C ATOM 174 O ALA A 13 57.684 -17.182 -28.320 1.00 1.00 O ATOM 175 CB ALA A 13 55.495 -14.745 -28.451 1.00 1.00 C ATOM 0 H ALA A 13 54.757 -17.345 -30.288 1.00 1.00 H new ATOM 0 HA ALA A 13 56.749 -15.535 -30.011 1.00 1.00 H new ATOM 0 HB1 ALA A 13 56.331 -14.419 -27.832 1.00 1.00 H new ATOM 0 HB2 ALA A 13 55.147 -13.911 -29.061 1.00 1.00 H new ATOM 0 HB3 ALA A 13 54.683 -15.090 -27.811 1.00 1.00 H new ATOM 181 N ASP A 14 55.561 -17.857 -27.998 1.00 1.00 N ATOM 182 CA ASP A 14 55.945 -18.993 -27.169 1.00 1.00 C ATOM 183 C ASP A 14 56.317 -18.529 -25.764 1.00 1.00 C ATOM 184 O ASP A 14 56.407 -19.335 -24.837 1.00 1.00 O ATOM 185 CB ASP A 14 57.133 -19.722 -27.799 1.00 1.00 C ATOM 186 CG ASP A 14 57.030 -21.219 -27.529 1.00 1.00 C ATOM 187 OD1 ASP A 14 56.082 -21.822 -28.005 1.00 1.00 O ATOM 188 OD2 ASP A 14 57.898 -21.741 -26.849 1.00 1.00 O ATOM 0 H ASP A 14 54.556 -17.756 -28.142 1.00 1.00 H new ATOM 0 HA ASP A 14 55.096 -19.673 -27.102 1.00 1.00 H new ATOM 0 HB2 ASP A 14 57.154 -19.539 -28.873 1.00 1.00 H new ATOM 0 HB3 ASP A 14 58.066 -19.334 -27.391 1.00 1.00 H new ATOM 193 N ASN A 15 56.532 -17.226 -25.614 1.00 1.00 N ATOM 194 CA ASN A 15 56.894 -16.666 -24.316 1.00 1.00 C ATOM 195 C ASN A 15 55.648 -16.210 -23.564 1.00 1.00 C ATOM 196 O ASN A 15 55.370 -15.014 -23.472 1.00 1.00 O ATOM 197 CB ASN A 15 57.842 -15.481 -24.506 1.00 1.00 C ATOM 198 CG ASN A 15 59.270 -15.981 -24.696 1.00 1.00 C ATOM 199 OD1 ASN A 15 59.680 -16.281 -25.817 1.00 1.00 O ATOM 200 ND2 ASN A 15 60.058 -16.088 -23.661 1.00 1.00 N ATOM 0 H ASN A 15 56.463 -16.543 -26.368 1.00 1.00 H new ATOM 0 HA ASN A 15 57.393 -17.440 -23.732 1.00 1.00 H new ATOM 0 HB2 ASN A 15 57.535 -14.894 -25.372 1.00 1.00 H new ATOM 0 HB3 ASN A 15 57.791 -14.821 -23.640 1.00 1.00 H new ATOM 0 HD21 ASN A 15 61.015 -16.421 -23.781 1.00 1.00 H new ATOM 0 HD22 ASN A 15 59.717 -15.839 -22.732 1.00 1.00 H new ATOM 207 N GLN A 16 54.902 -17.168 -23.027 1.00 1.00 N ATOM 208 CA GLN A 16 53.688 -16.853 -22.285 1.00 1.00 C ATOM 209 C GLN A 16 53.947 -16.911 -20.783 1.00 1.00 C ATOM 210 O GLN A 16 53.493 -16.049 -20.031 1.00 1.00 O ATOM 211 CB GLN A 16 52.578 -17.842 -22.652 1.00 1.00 C ATOM 212 CG GLN A 16 52.337 -17.799 -24.162 1.00 1.00 C ATOM 213 CD GLN A 16 52.410 -19.209 -24.741 1.00 1.00 C ATOM 214 OE1 GLN A 16 51.507 -19.632 -25.462 1.00 1.00 O ATOM 215 NE2 GLN A 16 53.438 -19.964 -24.466 1.00 1.00 N ATOM 0 H GLN A 16 55.115 -18.164 -23.091 1.00 1.00 H new ATOM 0 HA GLN A 16 53.376 -15.843 -22.550 1.00 1.00 H new ATOM 0 HB2 GLN A 16 52.858 -18.850 -22.346 1.00 1.00 H new ATOM 0 HB3 GLN A 16 51.661 -17.590 -22.119 1.00 1.00 H new ATOM 0 HG2 GLN A 16 51.361 -17.361 -24.371 1.00 1.00 H new ATOM 0 HG3 GLN A 16 53.081 -17.162 -24.640 1.00 1.00 H new ATOM 0 HE21 GLN A 16 54.185 -19.611 -23.868 1.00 1.00 H new ATOM 0 HE22 GLN A 16 53.495 -20.908 -24.849 1.00 1.00 H new ATOM 224 N SER A 17 54.679 -17.934 -20.353 1.00 1.00 N ATOM 225 CA SER A 17 54.994 -18.094 -18.938 1.00 1.00 C ATOM 226 C SER A 17 56.246 -18.947 -18.760 1.00 1.00 C ATOM 227 O SER A 17 56.229 -19.948 -18.044 1.00 1.00 O ATOM 228 CB SER A 17 53.819 -18.754 -18.215 1.00 1.00 C ATOM 229 OG SER A 17 54.052 -18.719 -16.813 1.00 1.00 O ATOM 0 H SER A 17 55.063 -18.659 -20.959 1.00 1.00 H new ATOM 0 HA SER A 17 55.177 -17.108 -18.512 1.00 1.00 H new ATOM 0 HB2 SER A 17 52.891 -18.234 -18.454 1.00 1.00 H new ATOM 0 HB3 SER A 17 53.703 -19.785 -18.551 1.00 1.00 H new ATOM 0 HG SER A 17 54.852 -19.245 -16.601 1.00 1.00 H new ATOM 235 N GLU A 18 57.328 -18.544 -19.416 1.00 1.00 N ATOM 236 CA GLU A 18 58.585 -19.278 -19.323 1.00 1.00 C ATOM 237 C GLU A 18 59.549 -18.572 -18.376 1.00 1.00 C ATOM 238 O GLU A 18 60.473 -19.186 -17.843 1.00 1.00 O ATOM 239 CB GLU A 18 59.224 -19.399 -20.708 1.00 1.00 C ATOM 240 CG GLU A 18 60.501 -20.234 -20.610 1.00 1.00 C ATOM 241 CD GLU A 18 61.036 -20.536 -22.006 1.00 1.00 C ATOM 242 OE1 GLU A 18 61.037 -19.632 -22.826 1.00 1.00 O ATOM 243 OE2 GLU A 18 61.436 -21.666 -22.235 1.00 1.00 O ATOM 0 H GLU A 18 57.361 -17.719 -20.014 1.00 1.00 H new ATOM 0 HA GLU A 18 58.374 -20.274 -18.933 1.00 1.00 H new ATOM 0 HB2 GLU A 18 58.525 -19.864 -21.403 1.00 1.00 H new ATOM 0 HB3 GLU A 18 59.454 -18.409 -21.102 1.00 1.00 H new ATOM 0 HG2 GLU A 18 61.253 -19.697 -20.032 1.00 1.00 H new ATOM 0 HG3 GLU A 18 60.297 -21.165 -20.081 1.00 1.00 H new ATOM 250 N CYS A 19 59.326 -17.277 -18.171 1.00 1.00 N ATOM 251 CA CYS A 19 60.181 -16.495 -17.286 1.00 1.00 C ATOM 252 C CYS A 19 59.518 -15.166 -16.943 1.00 1.00 C ATOM 253 O CYS A 19 60.014 -14.101 -17.311 1.00 1.00 O ATOM 254 CB CYS A 19 61.531 -16.238 -17.956 1.00 1.00 C ATOM 255 SG CYS A 19 62.760 -15.817 -16.696 1.00 1.00 S ATOM 0 H CYS A 19 58.566 -16.751 -18.602 1.00 1.00 H new ATOM 0 HA CYS A 19 60.336 -17.060 -16.367 1.00 1.00 H new ATOM 0 HB2 CYS A 19 61.849 -17.122 -18.508 1.00 1.00 H new ATOM 0 HB3 CYS A 19 61.442 -15.426 -18.678 1.00 1.00 H new ATOM 0 HG CYS A 19 63.908 -15.600 -17.265 1.00 1.00 H new ATOM 261 N GLU A 20 58.397 -15.238 -16.234 1.00 1.00 N ATOM 262 CA GLU A 20 57.674 -14.033 -15.844 1.00 1.00 C ATOM 263 C GLU A 20 58.441 -13.277 -14.766 1.00 1.00 C ATOM 264 O GLU A 20 57.851 -12.765 -13.814 1.00 1.00 O ATOM 265 CB GLU A 20 56.285 -14.404 -15.321 1.00 1.00 C ATOM 266 CG GLU A 20 55.521 -15.179 -16.398 1.00 1.00 C ATOM 267 CD GLU A 20 54.024 -14.929 -16.256 1.00 1.00 C ATOM 268 OE1 GLU A 20 53.567 -14.812 -15.131 1.00 1.00 O ATOM 269 OE2 GLU A 20 53.356 -14.857 -17.274 1.00 1.00 O ATOM 0 H GLU A 20 57.972 -16.110 -15.920 1.00 1.00 H new ATOM 0 HA GLU A 20 57.572 -13.392 -16.720 1.00 1.00 H new ATOM 0 HB2 GLU A 20 56.375 -15.008 -14.418 1.00 1.00 H new ATOM 0 HB3 GLU A 20 55.735 -13.503 -15.048 1.00 1.00 H new ATOM 0 HG2 GLU A 20 55.857 -14.870 -17.388 1.00 1.00 H new ATOM 0 HG3 GLU A 20 55.730 -16.245 -16.308 1.00 1.00 H new ATOM 276 N TYR A 21 59.760 -13.210 -14.923 1.00 1.00 N ATOM 277 CA TYR A 21 60.604 -12.514 -13.957 1.00 1.00 C ATOM 278 C TYR A 21 60.648 -13.274 -12.635 1.00 1.00 C ATOM 279 O TYR A 21 61.707 -13.728 -12.205 1.00 1.00 O ATOM 280 CB TYR A 21 60.075 -11.097 -13.718 1.00 1.00 C ATOM 281 CG TYR A 21 59.403 -10.584 -14.970 1.00 1.00 C ATOM 282 CD1 TYR A 21 59.989 -10.805 -16.222 1.00 1.00 C ATOM 283 CD2 TYR A 21 58.194 -9.886 -14.877 1.00 1.00 C ATOM 284 CE1 TYR A 21 59.364 -10.328 -17.382 1.00 1.00 C ATOM 285 CE2 TYR A 21 57.569 -9.408 -16.035 1.00 1.00 C ATOM 286 CZ TYR A 21 58.154 -9.630 -17.288 1.00 1.00 C ATOM 287 OH TYR A 21 57.539 -9.160 -18.430 1.00 1.00 O ATOM 0 H TYR A 21 60.265 -13.627 -15.705 1.00 1.00 H new ATOM 0 HA TYR A 21 61.614 -12.458 -14.364 1.00 1.00 H new ATOM 0 HB2 TYR A 21 59.367 -11.098 -12.889 1.00 1.00 H new ATOM 0 HB3 TYR A 21 60.894 -10.436 -13.437 1.00 1.00 H new ATOM 0 HD1 TYR A 21 60.923 -11.343 -16.294 1.00 1.00 H new ATOM 0 HD2 TYR A 21 57.742 -9.716 -13.911 1.00 1.00 H new ATOM 0 HE1 TYR A 21 59.816 -10.499 -18.348 1.00 1.00 H new ATOM 0 HE2 TYR A 21 56.636 -8.868 -15.962 1.00 1.00 H new ATOM 0 HH TYR A 21 56.708 -8.699 -18.188 1.00 1.00 H new ATOM 297 N THR A 22 59.490 -13.407 -11.995 1.00 1.00 N ATOM 298 CA THR A 22 59.410 -14.114 -10.722 1.00 1.00 C ATOM 299 C THR A 22 58.012 -14.689 -10.518 1.00 1.00 C ATOM 300 O THR A 22 57.505 -14.732 -9.397 1.00 1.00 O ATOM 301 CB THR A 22 59.748 -13.156 -9.575 1.00 1.00 C ATOM 302 OG1 THR A 22 60.456 -12.038 -10.091 1.00 1.00 O ATOM 303 CG2 THR A 22 60.614 -13.878 -8.542 1.00 1.00 C ATOM 0 H THR A 22 58.601 -13.038 -12.334 1.00 1.00 H new ATOM 0 HA THR A 22 60.127 -14.934 -10.733 1.00 1.00 H new ATOM 0 HB THR A 22 58.828 -12.818 -9.099 1.00 1.00 H new ATOM 0 HG1 THR A 22 60.673 -11.422 -9.360 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.853 -13.195 -7.727 1.00 1.00 H new ATOM 0 HG22 THR A 22 60.071 -14.737 -8.148 1.00 1.00 H new ATOM 0 HG23 THR A 22 61.536 -14.217 -9.014 1.00 1.00 H new ATOM 311 N ASP A 23 57.394 -15.131 -11.612 1.00 1.00 N ATOM 312 CA ASP A 23 56.053 -15.703 -11.548 1.00 1.00 C ATOM 313 C ASP A 23 56.006 -17.045 -12.273 1.00 1.00 C ATOM 314 O ASP A 23 54.992 -17.741 -12.244 1.00 1.00 O ATOM 315 CB ASP A 23 55.046 -14.744 -12.184 1.00 1.00 C ATOM 316 CG ASP A 23 54.016 -14.307 -11.148 1.00 1.00 C ATOM 317 OD1 ASP A 23 53.425 -15.175 -10.526 1.00 1.00 O ATOM 318 OD2 ASP A 23 53.834 -13.111 -10.990 1.00 1.00 O ATOM 0 H ASP A 23 57.799 -15.104 -12.548 1.00 1.00 H new ATOM 0 HA ASP A 23 55.796 -15.860 -10.500 1.00 1.00 H new ATOM 0 HB2 ASP A 23 55.564 -13.872 -12.584 1.00 1.00 H new ATOM 0 HB3 ASP A 23 54.547 -15.231 -13.022 1.00 1.00 H new ATOM 323 N TRP A 24 57.111 -17.403 -12.919 1.00 1.00 N ATOM 324 CA TRP A 24 57.181 -18.667 -13.644 1.00 1.00 C ATOM 325 C TRP A 24 57.083 -19.842 -12.678 1.00 1.00 C ATOM 326 O TRP A 24 56.950 -20.991 -13.095 1.00 1.00 O ATOM 327 CB TRP A 24 58.494 -18.751 -14.425 1.00 1.00 C ATOM 328 CG TRP A 24 59.643 -18.789 -13.470 1.00 1.00 C ATOM 329 CD1 TRP A 24 60.103 -17.729 -12.764 1.00 1.00 C ATOM 330 CD2 TRP A 24 60.484 -19.921 -13.103 1.00 1.00 C ATOM 331 NE1 TRP A 24 61.173 -18.139 -11.989 1.00 1.00 N ATOM 332 CE2 TRP A 24 61.446 -19.482 -12.163 1.00 1.00 C ATOM 333 CE3 TRP A 24 60.506 -21.272 -13.491 1.00 1.00 C ATOM 334 CZ2 TRP A 24 62.395 -20.352 -11.627 1.00 1.00 C ATOM 335 CZ3 TRP A 24 61.460 -22.152 -12.953 1.00 1.00 C ATOM 336 CH2 TRP A 24 62.403 -21.693 -12.023 1.00 1.00 C ATOM 0 H TRP A 24 57.962 -16.842 -12.956 1.00 1.00 H new ATOM 0 HA TRP A 24 56.344 -18.713 -14.340 1.00 1.00 H new ATOM 0 HB2 TRP A 24 58.500 -19.642 -15.052 1.00 1.00 H new ATOM 0 HB3 TRP A 24 58.589 -17.893 -15.090 1.00 1.00 H new ATOM 0 HD1 TRP A 24 59.700 -16.727 -12.800 1.00 1.00 H new ATOM 0 HE1 TRP A 24 61.696 -17.525 -11.365 1.00 1.00 H new ATOM 0 HE3 TRP A 24 59.785 -21.636 -14.208 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 63.119 -19.992 -10.911 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 61.467 -23.188 -13.258 1.00 1.00 H new ATOM 0 HH2 TRP A 24 63.134 -22.374 -11.613 1.00 1.00 H new ATOM 347 N LYS A 25 57.149 -19.540 -11.383 1.00 1.00 N ATOM 348 CA LYS A 25 57.065 -20.574 -10.357 1.00 1.00 C ATOM 349 C LYS A 25 56.046 -20.187 -9.289 1.00 1.00 C ATOM 350 O LYS A 25 55.775 -20.959 -8.370 1.00 1.00 O ATOM 351 CB LYS A 25 58.437 -20.791 -9.706 1.00 1.00 C ATOM 352 CG LYS A 25 59.209 -19.468 -9.637 1.00 1.00 C ATOM 353 CD LYS A 25 58.414 -18.448 -8.820 1.00 1.00 C ATOM 354 CE LYS A 25 59.363 -17.375 -8.282 1.00 1.00 C ATOM 355 NZ LYS A 25 60.380 -18.010 -7.398 1.00 1.00 N ATOM 0 H LYS A 25 57.260 -18.593 -11.022 1.00 1.00 H new ATOM 0 HA LYS A 25 56.744 -21.501 -10.832 1.00 1.00 H new ATOM 0 HB2 LYS A 25 58.311 -21.199 -8.703 1.00 1.00 H new ATOM 0 HB3 LYS A 25 59.007 -21.523 -10.278 1.00 1.00 H new ATOM 0 HG2 LYS A 25 60.186 -19.630 -9.183 1.00 1.00 H new ATOM 0 HG3 LYS A 25 59.384 -19.085 -10.642 1.00 1.00 H new ATOM 0 HD2 LYS A 25 57.644 -17.990 -9.441 1.00 1.00 H new ATOM 0 HD3 LYS A 25 57.904 -18.945 -7.995 1.00 1.00 H new ATOM 0 HE2 LYS A 25 59.854 -16.861 -9.108 1.00 1.00 H new ATOM 0 HE3 LYS A 25 58.802 -16.623 -7.727 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.823 -17.283 -6.801 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 59.920 -18.721 -6.794 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 61.108 -18.470 -7.981 1.00 1.00 H new ATOM 369 N SER A 26 55.485 -18.988 -9.420 1.00 1.00 N ATOM 370 CA SER A 26 54.495 -18.505 -8.463 1.00 1.00 C ATOM 371 C SER A 26 54.891 -18.887 -7.040 1.00 1.00 C ATOM 372 O SER A 26 54.282 -19.767 -6.432 1.00 1.00 O ATOM 373 CB SER A 26 53.123 -19.092 -8.791 1.00 1.00 C ATOM 374 OG SER A 26 53.207 -20.512 -8.787 1.00 1.00 O ATOM 0 H SER A 26 55.698 -18.336 -10.175 1.00 1.00 H new ATOM 0 HA SER A 26 54.450 -17.418 -8.533 1.00 1.00 H new ATOM 0 HB2 SER A 26 52.387 -18.758 -8.060 1.00 1.00 H new ATOM 0 HB3 SER A 26 52.787 -18.739 -9.766 1.00 1.00 H new ATOM 0 HG SER A 26 53.927 -20.795 -8.185 1.00 1.00 H new ATOM 380 N SER A 27 55.912 -18.218 -6.515 1.00 1.00 N ATOM 381 CA SER A 27 56.380 -18.495 -5.162 1.00 1.00 C ATOM 382 C SER A 27 57.162 -17.308 -4.611 1.00 1.00 C ATOM 383 O SER A 27 58.009 -17.464 -3.731 1.00 1.00 O ATOM 384 CB SER A 27 57.270 -19.739 -5.161 1.00 1.00 C ATOM 385 OG SER A 27 58.536 -19.410 -5.717 1.00 1.00 O ATOM 0 H SER A 27 56.428 -17.485 -7.002 1.00 1.00 H new ATOM 0 HA SER A 27 55.511 -18.669 -4.527 1.00 1.00 H new ATOM 0 HB2 SER A 27 57.392 -20.112 -4.144 1.00 1.00 H new ATOM 0 HB3 SER A 27 56.802 -20.536 -5.739 1.00 1.00 H new ATOM 0 HG SER A 27 59.110 -20.204 -5.717 1.00 1.00 H new ATOM 391 N GLY A 28 56.873 -16.121 -5.136 1.00 1.00 N ATOM 392 CA GLY A 28 57.557 -14.912 -4.689 1.00 1.00 C ATOM 393 C GLY A 28 56.928 -13.670 -5.309 1.00 1.00 C ATOM 394 O GLY A 28 57.624 -12.715 -5.652 1.00 1.00 O ATOM 0 H GLY A 28 56.176 -15.971 -5.865 1.00 1.00 H new ATOM 0 HA2 GLY A 28 57.511 -14.844 -3.602 1.00 1.00 H new ATOM 0 HA3 GLY A 28 58.611 -14.965 -4.960 1.00 1.00 H new ATOM 398 N ALA A 29 55.606 -13.690 -5.450 1.00 1.00 N ATOM 399 CA ALA A 29 54.893 -12.558 -6.030 1.00 1.00 C ATOM 400 C ALA A 29 53.457 -12.510 -5.517 1.00 1.00 C ATOM 401 O ALA A 29 52.651 -11.700 -5.974 1.00 1.00 O ATOM 402 CB ALA A 29 54.887 -12.671 -7.556 1.00 1.00 C ATOM 0 H ALA A 29 55.011 -14.471 -5.173 1.00 1.00 H new ATOM 0 HA ALA A 29 55.404 -11.641 -5.735 1.00 1.00 H new ATOM 0 HB1 ALA A 29 54.353 -11.822 -7.982 1.00 1.00 H new ATOM 0 HB2 ALA A 29 55.913 -12.676 -7.925 1.00 1.00 H new ATOM 0 HB3 ALA A 29 54.391 -13.596 -7.850 1.00 1.00 H new ATOM 408 N LEU A 30 53.145 -13.382 -4.564 1.00 1.00 N ATOM 409 CA LEU A 30 51.802 -13.429 -3.995 1.00 1.00 C ATOM 410 C LEU A 30 51.866 -13.612 -2.483 1.00 1.00 C ATOM 411 O LEU A 30 50.962 -13.195 -1.759 1.00 1.00 O ATOM 412 CB LEU A 30 51.012 -14.581 -4.619 1.00 1.00 C ATOM 413 CG LEU A 30 51.898 -15.825 -4.701 1.00 1.00 C ATOM 414 CD1 LEU A 30 51.095 -17.054 -4.274 1.00 1.00 C ATOM 415 CD2 LEU A 30 52.383 -16.009 -6.141 1.00 1.00 C ATOM 0 H LEU A 30 53.797 -14.061 -4.172 1.00 1.00 H new ATOM 0 HA LEU A 30 51.302 -12.485 -4.213 1.00 1.00 H new ATOM 0 HB2 LEU A 30 50.125 -14.793 -4.022 1.00 1.00 H new ATOM 0 HB3 LEU A 30 50.667 -14.302 -5.614 1.00 1.00 H new ATOM 0 HG LEU A 30 52.756 -15.704 -4.039 1.00 1.00 H new ATOM 0 HD11 LEU A 30 51.727 -17.940 -4.333 1.00 1.00 H new ATOM 0 HD12 LEU A 30 50.747 -16.923 -3.249 1.00 1.00 H new ATOM 0 HD13 LEU A 30 50.237 -17.176 -4.935 1.00 1.00 H new ATOM 0 HD21 LEU A 30 53.015 -16.895 -6.202 1.00 1.00 H new ATOM 0 HD22 LEU A 30 51.524 -16.130 -6.802 1.00 1.00 H new ATOM 0 HD23 LEU A 30 52.956 -15.133 -6.447 1.00 1.00 H new ATOM 427 N ILE A 31 52.940 -14.238 -2.012 1.00 1.00 N ATOM 428 CA ILE A 31 53.111 -14.471 -0.584 1.00 1.00 C ATOM 429 C ILE A 31 53.384 -13.156 0.155 1.00 1.00 C ATOM 430 O ILE A 31 52.855 -12.933 1.244 1.00 1.00 O ATOM 431 CB ILE A 31 54.247 -15.487 -0.353 1.00 1.00 C ATOM 432 CG1 ILE A 31 53.637 -16.832 0.052 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.201 -15.020 0.757 1.00 1.00 C ATOM 434 CD1 ILE A 31 52.684 -17.313 -1.044 1.00 1.00 C ATOM 0 H ILE A 31 53.700 -14.591 -2.594 1.00 1.00 H new ATOM 0 HA ILE A 31 52.187 -14.886 -0.181 1.00 1.00 H new ATOM 0 HB ILE A 31 54.815 -15.581 -1.278 1.00 1.00 H new ATOM 0 HG12 ILE A 31 54.426 -17.567 0.211 1.00 1.00 H new ATOM 0 HG13 ILE A 31 53.101 -16.730 0.996 1.00 1.00 H new ATOM 0 HG21 ILE A 31 55.990 -15.760 0.894 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.644 -14.064 0.478 1.00 1.00 H new ATOM 0 HG23 ILE A 31 54.647 -14.904 1.688 1.00 1.00 H new ATOM 0 HD11 ILE A 31 52.250 -18.270 -0.755 1.00 1.00 H new ATOM 0 HD12 ILE A 31 51.888 -16.581 -1.181 1.00 1.00 H new ATOM 0 HD13 ILE A 31 53.233 -17.431 -1.978 1.00 1.00 H new ATOM 446 N PRO A 32 54.192 -12.287 -0.404 1.00 1.00 N ATOM 447 CA PRO A 32 54.527 -10.985 0.227 1.00 1.00 C ATOM 448 C PRO A 32 53.521 -9.894 -0.131 1.00 1.00 C ATOM 449 O PRO A 32 53.831 -8.705 -0.057 1.00 1.00 O ATOM 450 CB PRO A 32 55.906 -10.669 -0.345 1.00 1.00 C ATOM 451 CG PRO A 32 55.958 -11.345 -1.681 1.00 1.00 C ATOM 452 CD PRO A 32 54.881 -12.440 -1.694 1.00 1.00 C ATOM 0 HA PRO A 32 54.507 -11.032 1.316 1.00 1.00 H new ATOM 0 HB2 PRO A 32 56.051 -9.593 -0.445 1.00 1.00 H new ATOM 0 HB3 PRO A 32 56.695 -11.037 0.311 1.00 1.00 H new ATOM 0 HG2 PRO A 32 55.781 -10.626 -2.481 1.00 1.00 H new ATOM 0 HG3 PRO A 32 56.944 -11.777 -1.853 1.00 1.00 H new ATOM 0 HD2 PRO A 32 54.193 -12.312 -2.530 1.00 1.00 H new ATOM 0 HD3 PRO A 32 55.323 -13.431 -1.794 1.00 1.00 H new ATOM 460 N ALA A 33 52.318 -10.309 -0.520 1.00 1.00 N ATOM 461 CA ALA A 33 51.270 -9.362 -0.890 1.00 1.00 C ATOM 462 C ALA A 33 49.980 -9.664 -0.132 1.00 1.00 C ATOM 463 O ALA A 33 49.021 -8.895 -0.192 1.00 1.00 O ATOM 464 CB ALA A 33 51.007 -9.437 -2.395 1.00 1.00 C ATOM 0 H ALA A 33 52.046 -11.290 -0.587 1.00 1.00 H new ATOM 0 HA ALA A 33 51.605 -8.359 -0.628 1.00 1.00 H new ATOM 0 HB1 ALA A 33 50.224 -8.728 -2.663 1.00 1.00 H new ATOM 0 HB2 ALA A 33 51.920 -9.191 -2.937 1.00 1.00 H new ATOM 0 HB3 ALA A 33 50.689 -10.446 -2.659 1.00 1.00 H new ATOM 470 N ILE A 34 49.966 -10.787 0.580 1.00 1.00 N ATOM 471 CA ILE A 34 48.789 -11.181 1.348 1.00 1.00 C ATOM 472 C ILE A 34 49.011 -10.934 2.836 1.00 1.00 C ATOM 473 O ILE A 34 48.143 -10.397 3.522 1.00 1.00 O ATOM 474 CB ILE A 34 48.487 -12.661 1.113 1.00 1.00 C ATOM 475 CG1 ILE A 34 48.193 -12.893 -0.370 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.268 -13.071 1.943 1.00 1.00 C ATOM 477 CD1 ILE A 34 48.453 -14.359 -0.720 1.00 1.00 C ATOM 0 H ILE A 34 50.750 -11.436 0.641 1.00 1.00 H new ATOM 0 HA ILE A 34 47.943 -10.580 1.016 1.00 1.00 H new ATOM 0 HB ILE A 34 49.349 -13.259 1.411 1.00 1.00 H new ATOM 0 HG12 ILE A 34 47.158 -12.634 -0.591 1.00 1.00 H new ATOM 0 HG13 ILE A 34 48.821 -12.245 -0.982 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.052 -14.126 1.776 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.476 -12.906 3.000 1.00 1.00 H new ATOM 0 HG23 ILE A 34 46.407 -12.473 1.645 1.00 1.00 H new ATOM 0 HD11 ILE A 34 48.243 -14.523 -1.777 1.00 1.00 H new ATOM 0 HD12 ILE A 34 49.495 -14.603 -0.515 1.00 1.00 H new ATOM 0 HD13 ILE A 34 47.806 -14.997 -0.118 1.00 1.00 H new ATOM 489 N TYR A 35 50.181 -11.330 3.328 1.00 1.00 N ATOM 490 CA TYR A 35 50.507 -11.147 4.738 1.00 1.00 C ATOM 491 C TYR A 35 50.728 -9.670 5.049 1.00 1.00 C ATOM 492 O TYR A 35 51.175 -9.316 6.140 1.00 1.00 O ATOM 493 CB TYR A 35 51.768 -11.938 5.089 1.00 1.00 C ATOM 494 CG TYR A 35 51.386 -13.178 5.861 1.00 1.00 C ATOM 495 CD1 TYR A 35 51.000 -13.076 7.203 1.00 1.00 C ATOM 496 CD2 TYR A 35 51.417 -14.431 5.234 1.00 1.00 C ATOM 497 CE1 TYR A 35 50.647 -14.226 7.919 1.00 1.00 C ATOM 498 CE2 TYR A 35 51.063 -15.580 5.950 1.00 1.00 C ATOM 499 CZ TYR A 35 50.678 -15.478 7.292 1.00 1.00 C ATOM 500 OH TYR A 35 50.329 -16.612 7.998 1.00 1.00 O ATOM 0 H TYR A 35 50.914 -11.776 2.776 1.00 1.00 H new ATOM 0 HA TYR A 35 49.671 -11.512 5.335 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.302 -12.213 4.180 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.444 -11.321 5.682 1.00 1.00 H new ATOM 0 HD1 TYR A 35 50.975 -12.110 7.686 1.00 1.00 H new ATOM 0 HD2 TYR A 35 51.714 -14.510 4.199 1.00 1.00 H new ATOM 0 HE1 TYR A 35 50.351 -14.148 8.955 1.00 1.00 H new ATOM 0 HE2 TYR A 35 51.087 -16.546 5.467 1.00 1.00 H new ATOM 0 HH TYR A 35 50.404 -17.396 7.415 1.00 1.00 H new ATOM 510 N MET A 36 50.410 -8.813 4.085 1.00 1.00 N ATOM 511 CA MET A 36 50.580 -7.376 4.267 1.00 1.00 C ATOM 512 C MET A 36 49.261 -6.731 4.682 1.00 1.00 C ATOM 513 O MET A 36 49.149 -6.169 5.772 1.00 1.00 O ATOM 514 CB MET A 36 51.075 -6.738 2.969 1.00 1.00 C ATOM 515 CG MET A 36 52.490 -7.232 2.666 1.00 1.00 C ATOM 516 SD MET A 36 53.671 -6.376 3.739 1.00 1.00 S ATOM 517 CE MET A 36 54.954 -7.653 3.728 1.00 1.00 C ATOM 0 H MET A 36 50.036 -9.085 3.176 1.00 1.00 H new ATOM 0 HA MET A 36 51.317 -7.213 5.054 1.00 1.00 H new ATOM 0 HB2 MET A 36 50.406 -6.993 2.147 1.00 1.00 H new ATOM 0 HB3 MET A 36 51.069 -5.652 3.060 1.00 1.00 H new ATOM 0 HG2 MET A 36 52.553 -8.309 2.824 1.00 1.00 H new ATOM 0 HG3 MET A 36 52.734 -7.049 1.620 1.00 1.00 H new ATOM 0 HE1 MET A 36 55.795 -7.329 4.340 1.00 1.00 H new ATOM 0 HE2 MET A 36 54.548 -8.580 4.132 1.00 1.00 H new ATOM 0 HE3 MET A 36 55.292 -7.820 2.705 1.00 1.00 H new ATOM 527 N LEU A 37 48.265 -6.814 3.806 1.00 1.00 N ATOM 528 CA LEU A 37 46.958 -6.235 4.092 1.00 1.00 C ATOM 529 C LEU A 37 46.338 -6.891 5.321 1.00 1.00 C ATOM 530 O LEU A 37 45.312 -6.435 5.828 1.00 1.00 O ATOM 531 CB LEU A 37 46.030 -6.419 2.889 1.00 1.00 C ATOM 532 CG LEU A 37 46.749 -5.972 1.616 1.00 1.00 C ATOM 533 CD1 LEU A 37 45.815 -6.136 0.417 1.00 1.00 C ATOM 534 CD2 LEU A 37 47.154 -4.501 1.749 1.00 1.00 C ATOM 0 H LEU A 37 48.337 -7.273 2.898 1.00 1.00 H new ATOM 0 HA LEU A 37 47.089 -5.171 4.290 1.00 1.00 H new ATOM 0 HB2 LEU A 37 45.732 -7.464 2.803 1.00 1.00 H new ATOM 0 HB3 LEU A 37 45.118 -5.838 3.027 1.00 1.00 H new ATOM 0 HG LEU A 37 47.639 -6.583 1.469 1.00 1.00 H new ATOM 0 HD11 LEU A 37 46.328 -5.817 -0.490 1.00 1.00 H new ATOM 0 HD12 LEU A 37 45.526 -7.183 0.322 1.00 1.00 H new ATOM 0 HD13 LEU A 37 44.924 -5.525 0.564 1.00 1.00 H new ATOM 0 HD21 LEU A 37 47.667 -4.181 0.842 1.00 1.00 H new ATOM 0 HD22 LEU A 37 46.263 -3.890 1.897 1.00 1.00 H new ATOM 0 HD23 LEU A 37 47.821 -4.383 2.603 1.00 1.00 H new ATOM 546 N VAL A 38 46.966 -7.963 5.794 1.00 1.00 N ATOM 547 CA VAL A 38 46.465 -8.673 6.965 1.00 1.00 C ATOM 548 C VAL A 38 47.220 -8.239 8.218 1.00 1.00 C ATOM 549 O VAL A 38 46.618 -7.998 9.265 1.00 1.00 O ATOM 550 CB VAL A 38 46.624 -10.182 6.769 1.00 1.00 C ATOM 551 CG1 VAL A 38 46.142 -10.914 8.021 1.00 1.00 C ATOM 552 CG2 VAL A 38 45.791 -10.628 5.566 1.00 1.00 C ATOM 0 H VAL A 38 47.815 -8.356 5.388 1.00 1.00 H new ATOM 0 HA VAL A 38 45.409 -8.432 7.088 1.00 1.00 H new ATOM 0 HB VAL A 38 47.674 -10.417 6.594 1.00 1.00 H new ATOM 0 HG11 VAL A 38 46.256 -11.989 7.880 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.734 -10.596 8.879 1.00 1.00 H new ATOM 0 HG13 VAL A 38 45.092 -10.680 8.198 1.00 1.00 H new ATOM 0 HG21 VAL A 38 45.903 -11.703 5.424 1.00 1.00 H new ATOM 0 HG22 VAL A 38 44.742 -10.392 5.743 1.00 1.00 H new ATOM 0 HG23 VAL A 38 46.134 -10.107 4.672 1.00 1.00 H new ATOM 562 N PHE A 39 48.540 -8.141 8.103 1.00 1.00 N ATOM 563 CA PHE A 39 49.368 -7.734 9.233 1.00 1.00 C ATOM 564 C PHE A 39 49.316 -6.222 9.419 1.00 1.00 C ATOM 565 O PHE A 39 50.280 -5.610 9.880 1.00 1.00 O ATOM 566 CB PHE A 39 50.815 -8.173 9.006 1.00 1.00 C ATOM 567 CG PHE A 39 51.515 -8.309 10.337 1.00 1.00 C ATOM 568 CD1 PHE A 39 51.336 -9.464 11.107 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.344 -7.280 10.800 1.00 1.00 C ATOM 570 CE1 PHE A 39 51.985 -9.590 12.341 1.00 1.00 C ATOM 571 CE2 PHE A 39 52.993 -7.406 12.034 1.00 1.00 C ATOM 572 CZ PHE A 39 52.814 -8.561 12.805 1.00 1.00 C ATOM 0 H PHE A 39 49.057 -8.336 7.246 1.00 1.00 H new ATOM 0 HA PHE A 39 48.981 -8.212 10.133 1.00 1.00 H new ATOM 0 HB2 PHE A 39 50.838 -9.123 8.472 1.00 1.00 H new ATOM 0 HB3 PHE A 39 51.334 -7.444 8.383 1.00 1.00 H new ATOM 0 HD1 PHE A 39 50.697 -10.258 10.749 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.483 -6.389 10.205 1.00 1.00 H new ATOM 0 HE1 PHE A 39 51.846 -10.481 12.935 1.00 1.00 H new ATOM 0 HE2 PHE A 39 53.632 -6.612 12.391 1.00 1.00 H new ATOM 0 HZ PHE A 39 53.315 -8.658 13.757 1.00 1.00 H new ATOM 582 N LEU A 40 48.185 -5.624 9.057 1.00 1.00 N ATOM 583 CA LEU A 40 48.021 -4.181 9.188 1.00 1.00 C ATOM 584 C LEU A 40 46.625 -3.845 9.703 1.00 1.00 C ATOM 585 O LEU A 40 46.244 -2.677 9.775 1.00 1.00 O ATOM 586 CB LEU A 40 48.243 -3.505 7.834 1.00 1.00 C ATOM 587 CG LEU A 40 49.726 -3.165 7.670 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.074 -3.101 6.182 1.00 1.00 C ATOM 589 CD2 LEU A 40 50.011 -1.809 8.318 1.00 1.00 C ATOM 0 H LEU A 40 47.375 -6.112 8.674 1.00 1.00 H new ATOM 0 HA LEU A 40 48.758 -3.814 9.902 1.00 1.00 H new ATOM 0 HB2 LEU A 40 47.919 -4.165 7.029 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.641 -2.599 7.765 1.00 1.00 H new ATOM 0 HG LEU A 40 50.331 -3.934 8.151 1.00 1.00 H new ATOM 0 HD11 LEU A 40 51.130 -2.859 6.065 1.00 1.00 H new ATOM 0 HD12 LEU A 40 49.870 -4.066 5.719 1.00 1.00 H new ATOM 0 HD13 LEU A 40 49.470 -2.332 5.700 1.00 1.00 H new ATOM 0 HD21 LEU A 40 51.067 -1.565 8.202 1.00 1.00 H new ATOM 0 HD22 LEU A 40 49.406 -1.041 7.836 1.00 1.00 H new ATOM 0 HD23 LEU A 40 49.763 -1.853 9.379 1.00 1.00 H new ATOM 601 N LEU A 41 45.868 -4.880 10.061 1.00 1.00 N ATOM 602 CA LEU A 41 44.513 -4.692 10.571 1.00 1.00 C ATOM 603 C LEU A 41 44.436 -5.083 12.043 1.00 1.00 C ATOM 604 O LEU A 41 43.780 -4.412 12.840 1.00 1.00 O ATOM 605 CB LEU A 41 43.530 -5.542 9.764 1.00 1.00 C ATOM 606 CG LEU A 41 43.818 -5.378 8.271 1.00 1.00 C ATOM 607 CD1 LEU A 41 42.813 -6.200 7.463 1.00 1.00 C ATOM 608 CD2 LEU A 41 43.691 -3.902 7.887 1.00 1.00 C ATOM 0 H LEU A 41 46.169 -5.853 10.008 1.00 1.00 H new ATOM 0 HA LEU A 41 44.250 -3.639 10.472 1.00 1.00 H new ATOM 0 HB2 LEU A 41 43.620 -6.590 10.049 1.00 1.00 H new ATOM 0 HB3 LEU A 41 42.506 -5.239 9.983 1.00 1.00 H new ATOM 0 HG LEU A 41 44.828 -5.726 8.057 1.00 1.00 H new ATOM 0 HD11 LEU A 41 43.019 -6.083 6.399 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.900 -7.252 7.736 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.802 -5.852 7.678 1.00 1.00 H new ATOM 0 HD21 LEU A 41 43.896 -3.784 6.823 1.00 1.00 H new ATOM 0 HD22 LEU A 41 42.680 -3.556 8.102 1.00 1.00 H new ATOM 0 HD23 LEU A 41 44.406 -3.314 8.462 1.00 1.00 H new ATOM 620 N GLY A 42 45.111 -6.171 12.396 1.00 1.00 N ATOM 621 CA GLY A 42 45.112 -6.643 13.776 1.00 1.00 C ATOM 622 C GLY A 42 45.916 -5.706 14.672 1.00 1.00 C ATOM 623 O GLY A 42 45.981 -5.896 15.887 1.00 1.00 O ATOM 0 H GLY A 42 45.661 -6.739 11.752 1.00 1.00 H new ATOM 0 HA2 GLY A 42 44.087 -6.712 14.142 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.535 -7.647 13.821 1.00 1.00 H new ATOM 627 N THR A 43 46.526 -4.694 14.063 1.00 1.00 N ATOM 628 CA THR A 43 47.324 -3.732 14.815 1.00 1.00 C ATOM 629 C THR A 43 47.054 -2.314 14.326 1.00 1.00 C ATOM 630 O THR A 43 46.057 -1.700 14.704 1.00 1.00 O ATOM 631 CB THR A 43 48.812 -4.053 14.659 1.00 1.00 C ATOM 632 OG1 THR A 43 49.578 -2.901 14.981 1.00 1.00 O ATOM 633 CG2 THR A 43 49.097 -4.473 13.218 1.00 1.00 C ATOM 0 H THR A 43 46.484 -4.519 13.059 1.00 1.00 H new ATOM 0 HA THR A 43 47.046 -3.801 15.867 1.00 1.00 H new ATOM 0 HB THR A 43 49.081 -4.868 15.331 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.532 -3.105 14.884 1.00 1.00 H new ATOM 0 HG21 THR A 43 50.157 -4.701 13.108 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.508 -5.357 12.974 1.00 1.00 H new ATOM 0 HG23 THR A 43 48.829 -3.661 12.542 1.00 1.00 H new ATOM 641 N THR A 44 47.953 -1.806 13.482 1.00 1.00 N ATOM 642 CA THR A 44 47.826 -0.457 12.930 1.00 1.00 C ATOM 643 C THR A 44 47.177 0.493 13.932 1.00 1.00 C ATOM 644 O THR A 44 46.241 1.218 13.599 1.00 1.00 O ATOM 645 CB THR A 44 47.002 -0.488 11.637 1.00 1.00 C ATOM 646 OG1 THR A 44 46.795 0.842 11.180 1.00 1.00 O ATOM 647 CG2 THR A 44 45.648 -1.155 11.890 1.00 1.00 C ATOM 0 H THR A 44 48.780 -2.311 13.165 1.00 1.00 H new ATOM 0 HA THR A 44 48.829 -0.091 12.711 1.00 1.00 H new ATOM 0 HB THR A 44 47.543 -1.059 10.883 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.286 1.343 11.851 1.00 1.00 H new ATOM 0 HG21 THR A 44 45.072 -1.171 10.965 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.805 -2.176 12.238 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.102 -0.593 12.648 1.00 1.00 H new ATOM 655 N GLY A 45 47.684 0.483 15.161 1.00 1.00 N ATOM 656 CA GLY A 45 47.148 1.348 16.207 1.00 1.00 C ATOM 657 C GLY A 45 46.302 0.551 17.193 1.00 1.00 C ATOM 658 O GLY A 45 46.448 0.694 18.407 1.00 1.00 O ATOM 0 H GLY A 45 48.460 -0.110 15.456 1.00 1.00 H new ATOM 0 HA2 GLY A 45 47.967 1.836 16.736 1.00 1.00 H new ATOM 0 HA3 GLY A 45 46.544 2.136 15.758 1.00 1.00 H new ATOM 662 N ASN A 46 45.419 -0.289 16.665 1.00 1.00 N ATOM 663 CA ASN A 46 44.554 -1.104 17.510 1.00 1.00 C ATOM 664 C ASN A 46 45.339 -2.258 18.125 1.00 1.00 C ATOM 665 O ASN A 46 44.766 -3.279 18.504 1.00 1.00 O ATOM 666 CB ASN A 46 43.390 -1.658 16.688 1.00 1.00 C ATOM 667 CG ASN A 46 42.496 -0.516 16.215 1.00 1.00 C ATOM 668 OD1 ASN A 46 41.691 0.004 16.988 1.00 1.00 O ATOM 669 ND2 ASN A 46 42.591 -0.091 14.985 1.00 1.00 N ATOM 0 H ASN A 46 45.284 -0.423 15.663 1.00 1.00 H new ATOM 0 HA ASN A 46 44.165 -0.475 18.311 1.00 1.00 H new ATOM 0 HB2 ASN A 46 43.771 -2.212 15.830 1.00 1.00 H new ATOM 0 HB3 ASN A 46 42.811 -2.359 17.289 1.00 1.00 H new ATOM 0 HD21 ASN A 46 41.998 0.673 14.662 1.00 1.00 H new ATOM 0 HD22 ASN A 46 43.259 -0.523 14.346 1.00 1.00 H new ATOM 676 N GLY A 47 46.655 -2.087 18.220 1.00 1.00 N ATOM 677 CA GLY A 47 47.511 -3.121 18.791 1.00 1.00 C ATOM 678 C GLY A 47 48.541 -2.514 19.737 1.00 1.00 C ATOM 679 O GLY A 47 48.910 -3.123 20.741 1.00 1.00 O ATOM 0 H GLY A 47 47.148 -1.249 17.912 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.901 -3.847 19.328 1.00 1.00 H new ATOM 0 HA3 GLY A 47 48.019 -3.660 17.992 1.00 1.00 H new ATOM 683 N LEU A 48 49.002 -1.311 19.409 1.00 1.00 N ATOM 684 CA LEU A 48 49.990 -0.631 20.237 1.00 1.00 C ATOM 685 C LEU A 48 49.308 0.354 21.181 1.00 1.00 C ATOM 686 O LEU A 48 49.957 1.227 21.758 1.00 1.00 O ATOM 687 CB LEU A 48 50.995 0.117 19.357 1.00 1.00 C ATOM 688 CG LEU A 48 50.946 -0.429 17.927 1.00 1.00 C ATOM 689 CD1 LEU A 48 52.017 0.261 17.082 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.210 -1.937 17.945 1.00 1.00 C ATOM 0 H LEU A 48 48.709 -0.791 18.582 1.00 1.00 H new ATOM 0 HA LEU A 48 50.517 -1.382 20.826 1.00 1.00 H new ATOM 0 HB2 LEU A 48 50.768 1.183 19.356 1.00 1.00 H new ATOM 0 HB3 LEU A 48 52.000 0.006 19.763 1.00 1.00 H new ATOM 0 HG LEU A 48 49.962 -0.236 17.500 1.00 1.00 H new ATOM 0 HD11 LEU A 48 51.983 -0.127 16.064 1.00 1.00 H new ATOM 0 HD12 LEU A 48 51.833 1.335 17.067 1.00 1.00 H new ATOM 0 HD13 LEU A 48 53.000 0.067 17.511 1.00 1.00 H new ATOM 0 HD21 LEU A 48 51.175 -2.325 16.927 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.194 -2.129 18.373 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.449 -2.432 18.548 1.00 1.00 H new ATOM 702 N VAL A 49 47.995 0.208 21.332 1.00 1.00 N ATOM 703 CA VAL A 49 47.230 1.091 22.207 1.00 1.00 C ATOM 704 C VAL A 49 46.264 0.285 23.070 1.00 1.00 C ATOM 705 O VAL A 49 46.003 0.635 24.221 1.00 1.00 O ATOM 706 CB VAL A 49 46.448 2.105 21.372 1.00 1.00 C ATOM 707 CG1 VAL A 49 45.677 3.047 22.300 1.00 1.00 C ATOM 708 CG2 VAL A 49 47.418 2.919 20.514 1.00 1.00 C ATOM 0 H VAL A 49 47.441 -0.509 20.863 1.00 1.00 H new ATOM 0 HA VAL A 49 47.927 1.619 22.858 1.00 1.00 H new ATOM 0 HB VAL A 49 45.747 1.576 20.726 1.00 1.00 H new ATOM 0 HG11 VAL A 49 45.120 3.770 21.704 1.00 1.00 H new ATOM 0 HG12 VAL A 49 44.984 2.469 22.911 1.00 1.00 H new ATOM 0 HG13 VAL A 49 46.378 3.574 22.947 1.00 1.00 H new ATOM 0 HG21 VAL A 49 46.859 3.642 19.919 1.00 1.00 H new ATOM 0 HG22 VAL A 49 48.120 3.446 21.160 1.00 1.00 H new ATOM 0 HG23 VAL A 49 47.967 2.250 19.851 1.00 1.00 H new ATOM 718 N LEU A 50 45.734 -0.795 22.504 1.00 1.00 N ATOM 719 CA LEU A 50 44.795 -1.644 23.230 1.00 1.00 C ATOM 720 C LEU A 50 45.507 -2.886 23.765 1.00 1.00 C ATOM 721 O LEU A 50 45.791 -2.982 24.959 1.00 1.00 O ATOM 722 CB LEU A 50 43.640 -2.051 22.301 1.00 1.00 C ATOM 723 CG LEU A 50 42.368 -2.337 23.112 1.00 1.00 C ATOM 724 CD1 LEU A 50 42.668 -3.351 24.219 1.00 1.00 C ATOM 725 CD2 LEU A 50 41.832 -1.044 23.742 1.00 1.00 C ATOM 0 H LEU A 50 45.936 -1.101 21.552 1.00 1.00 H new ATOM 0 HA LEU A 50 44.392 -1.086 24.076 1.00 1.00 H new ATOM 0 HB2 LEU A 50 43.448 -1.255 21.581 1.00 1.00 H new ATOM 0 HB3 LEU A 50 43.920 -2.936 21.730 1.00 1.00 H new ATOM 0 HG LEU A 50 41.615 -2.745 22.437 1.00 1.00 H new ATOM 0 HD11 LEU A 50 41.760 -3.547 24.789 1.00 1.00 H new ATOM 0 HD12 LEU A 50 43.025 -4.280 23.774 1.00 1.00 H new ATOM 0 HD13 LEU A 50 43.433 -2.949 24.883 1.00 1.00 H new ATOM 0 HD21 LEU A 50 40.930 -1.264 24.313 1.00 1.00 H new ATOM 0 HD22 LEU A 50 42.587 -0.622 24.405 1.00 1.00 H new ATOM 0 HD23 LEU A 50 41.597 -0.326 22.956 1.00 1.00 H new ATOM 737 N TRP A 51 45.792 -3.834 22.879 1.00 1.00 N ATOM 738 CA TRP A 51 46.468 -5.063 23.277 1.00 1.00 C ATOM 739 C TRP A 51 47.697 -4.751 24.125 1.00 1.00 C ATOM 740 O TRP A 51 48.148 -5.584 24.911 1.00 1.00 O ATOM 741 CB TRP A 51 46.889 -5.852 22.035 1.00 1.00 C ATOM 742 CG TRP A 51 48.060 -6.720 22.370 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.347 -6.441 22.061 1.00 1.00 C ATOM 744 CD2 TRP A 51 48.074 -7.998 23.068 1.00 1.00 C ATOM 745 NE1 TRP A 51 50.151 -7.466 22.526 1.00 1.00 N ATOM 746 CE2 TRP A 51 49.413 -8.449 23.153 1.00 1.00 C ATOM 747 CE3 TRP A 51 47.066 -8.802 23.631 1.00 1.00 C ATOM 748 CZ2 TRP A 51 49.739 -9.656 23.775 1.00 1.00 C ATOM 749 CZ3 TRP A 51 47.392 -10.017 24.257 1.00 1.00 C ATOM 750 CH2 TRP A 51 48.726 -10.442 24.329 1.00 1.00 C ATOM 0 H TRP A 51 45.567 -3.776 21.886 1.00 1.00 H new ATOM 0 HA TRP A 51 45.775 -5.660 23.870 1.00 1.00 H new ATOM 0 HB2 TRP A 51 46.059 -6.463 21.681 1.00 1.00 H new ATOM 0 HB3 TRP A 51 47.149 -5.168 21.227 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.691 -5.562 21.537 1.00 1.00 H new ATOM 0 HE1 TRP A 51 51.165 -7.492 22.419 1.00 1.00 H new ATOM 0 HE3 TRP A 51 46.035 -8.483 23.582 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 50.768 -9.980 23.827 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 46.610 -10.627 24.685 1.00 1.00 H new ATOM 0 HH2 TRP A 51 48.970 -11.376 24.812 1.00 1.00 H new ATOM 761 N THR A 52 48.236 -3.547 23.958 1.00 1.00 N ATOM 762 CA THR A 52 49.414 -3.139 24.714 1.00 1.00 C ATOM 763 C THR A 52 49.056 -2.894 26.177 1.00 1.00 C ATOM 764 O THR A 52 49.889 -3.066 27.067 1.00 1.00 O ATOM 765 CB THR A 52 50.006 -1.862 24.111 1.00 1.00 C ATOM 766 OG1 THR A 52 51.372 -1.754 24.484 1.00 1.00 O ATOM 767 CG2 THR A 52 49.236 -0.646 24.630 1.00 1.00 C ATOM 0 H THR A 52 47.879 -2.843 23.312 1.00 1.00 H new ATOM 0 HA THR A 52 50.150 -3.941 24.662 1.00 1.00 H new ATOM 0 HB THR A 52 49.927 -1.902 23.025 1.00 1.00 H new ATOM 0 HG1 THR A 52 51.753 -0.938 24.098 1.00 1.00 H new ATOM 0 HG21 THR A 52 49.658 0.262 24.200 1.00 1.00 H new ATOM 0 HG22 THR A 52 48.188 -0.730 24.344 1.00 1.00 H new ATOM 0 HG23 THR A 52 49.313 -0.603 25.716 1.00 1.00 H new ATOM 775 N VAL A 53 47.812 -2.491 26.418 1.00 1.00 N ATOM 776 CA VAL A 53 47.356 -2.227 27.777 1.00 1.00 C ATOM 777 C VAL A 53 47.684 -3.403 28.692 1.00 1.00 C ATOM 778 O VAL A 53 48.110 -3.215 29.831 1.00 1.00 O ATOM 779 CB VAL A 53 45.846 -1.981 27.783 1.00 1.00 C ATOM 780 CG1 VAL A 53 45.376 -1.725 29.216 1.00 1.00 C ATOM 781 CG2 VAL A 53 45.526 -0.759 26.917 1.00 1.00 C ATOM 0 H VAL A 53 47.107 -2.341 25.696 1.00 1.00 H new ATOM 0 HA VAL A 53 47.871 -1.340 28.146 1.00 1.00 H new ATOM 0 HB VAL A 53 45.334 -2.856 27.383 1.00 1.00 H new ATOM 0 HG11 VAL A 53 44.300 -1.550 29.220 1.00 1.00 H new ATOM 0 HG12 VAL A 53 45.605 -2.593 29.834 1.00 1.00 H new ATOM 0 HG13 VAL A 53 45.888 -0.850 29.616 1.00 1.00 H new ATOM 0 HG21 VAL A 53 44.450 -0.582 26.920 1.00 1.00 H new ATOM 0 HG22 VAL A 53 46.039 0.115 27.318 1.00 1.00 H new ATOM 0 HG23 VAL A 53 45.861 -0.939 25.896 1.00 1.00 H new ATOM 791 N PHE A 54 47.483 -4.614 28.185 1.00 1.00 N ATOM 792 CA PHE A 54 47.762 -5.814 28.966 1.00 1.00 C ATOM 793 C PHE A 54 49.235 -6.196 28.855 1.00 1.00 C ATOM 794 O PHE A 54 49.669 -7.200 29.419 1.00 1.00 O ATOM 795 CB PHE A 54 46.894 -6.972 28.471 1.00 1.00 C ATOM 796 CG PHE A 54 45.707 -7.139 29.389 1.00 1.00 C ATOM 797 CD1 PHE A 54 44.540 -6.398 29.166 1.00 1.00 C ATOM 798 CD2 PHE A 54 45.772 -8.037 30.461 1.00 1.00 C ATOM 799 CE1 PHE A 54 43.439 -6.554 30.016 1.00 1.00 C ATOM 800 CE2 PHE A 54 44.671 -8.192 31.312 1.00 1.00 C ATOM 801 CZ PHE A 54 43.505 -7.451 31.090 1.00 1.00 C ATOM 0 H PHE A 54 47.131 -4.791 27.244 1.00 1.00 H new ATOM 0 HA PHE A 54 47.530 -5.607 30.011 1.00 1.00 H new ATOM 0 HB2 PHE A 54 46.556 -6.778 27.453 1.00 1.00 H new ATOM 0 HB3 PHE A 54 47.478 -7.892 28.443 1.00 1.00 H new ATOM 0 HD1 PHE A 54 44.489 -5.706 28.338 1.00 1.00 H new ATOM 0 HD2 PHE A 54 46.671 -8.610 30.632 1.00 1.00 H new ATOM 0 HE1 PHE A 54 42.539 -5.983 29.844 1.00 1.00 H new ATOM 0 HE2 PHE A 54 44.722 -8.884 32.140 1.00 1.00 H new ATOM 0 HZ PHE A 54 42.656 -7.571 31.747 1.00 1.00 H new ATOM 811 N ARG A 55 49.997 -5.389 28.125 1.00 1.00 N ATOM 812 CA ARG A 55 51.421 -5.652 27.947 1.00 1.00 C ATOM 813 C ARG A 55 52.250 -4.764 28.869 1.00 1.00 C ATOM 814 O ARG A 55 53.193 -5.227 29.510 1.00 1.00 O ATOM 815 CB ARG A 55 51.821 -5.397 26.494 1.00 1.00 C ATOM 816 CG ARG A 55 53.223 -5.956 26.244 1.00 1.00 C ATOM 817 CD ARG A 55 53.121 -7.247 25.429 1.00 1.00 C ATOM 818 NE ARG A 55 52.327 -8.236 26.148 1.00 1.00 N ATOM 819 CZ ARG A 55 52.407 -9.528 25.851 1.00 1.00 C ATOM 820 NH1 ARG A 55 53.207 -9.932 24.902 1.00 1.00 N ATOM 821 NH2 ARG A 55 51.686 -10.395 26.508 1.00 1.00 N ATOM 0 H ARG A 55 49.656 -4.553 27.650 1.00 1.00 H new ATOM 0 HA ARG A 55 51.613 -6.695 28.198 1.00 1.00 H new ATOM 0 HB2 ARG A 55 51.105 -5.868 25.821 1.00 1.00 H new ATOM 0 HB3 ARG A 55 51.801 -4.328 26.283 1.00 1.00 H new ATOM 0 HG2 ARG A 55 53.828 -5.223 25.710 1.00 1.00 H new ATOM 0 HG3 ARG A 55 53.723 -6.151 27.193 1.00 1.00 H new ATOM 0 HD2 ARG A 55 52.666 -7.039 24.461 1.00 1.00 H new ATOM 0 HD3 ARG A 55 54.118 -7.642 25.234 1.00 1.00 H new ATOM 0 HE ARG A 55 51.699 -7.930 26.892 1.00 1.00 H new ATOM 0 HH11 ARG A 55 53.771 -9.255 24.388 1.00 1.00 H new ATOM 0 HH12 ARG A 55 53.268 -10.924 24.674 1.00 1.00 H new ATOM 0 HH21 ARG A 55 51.061 -10.080 27.250 1.00 1.00 H new ATOM 0 HH22 ARG A 55 51.748 -11.387 26.280 1.00 1.00 H new ATOM 835 N LYS A 56 51.891 -3.486 28.932 1.00 1.00 N ATOM 836 CA LYS A 56 52.609 -2.542 29.779 1.00 1.00 C ATOM 837 C LYS A 56 52.513 -2.955 31.245 1.00 1.00 C ATOM 838 O LYS A 56 53.406 -2.667 32.041 1.00 1.00 O ATOM 839 CB LYS A 56 52.030 -1.137 29.605 1.00 1.00 C ATOM 840 CG LYS A 56 50.519 -1.174 29.844 1.00 1.00 C ATOM 841 CD LYS A 56 50.164 -0.248 31.010 1.00 1.00 C ATOM 842 CE LYS A 56 48.644 -0.190 31.171 1.00 1.00 C ATOM 843 NZ LYS A 56 48.304 0.590 32.394 1.00 1.00 N ATOM 0 H LYS A 56 51.113 -3.083 28.410 1.00 1.00 H new ATOM 0 HA LYS A 56 53.657 -2.542 29.481 1.00 1.00 H new ATOM 0 HB2 LYS A 56 52.503 -0.448 30.305 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.241 -0.767 28.602 1.00 1.00 H new ATOM 0 HG2 LYS A 56 49.990 -0.862 28.944 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.200 -2.193 30.064 1.00 1.00 H new ATOM 0 HD2 LYS A 56 50.624 -0.610 31.929 1.00 1.00 H new ATOM 0 HD3 LYS A 56 50.559 0.751 30.828 1.00 1.00 H new ATOM 0 HE2 LYS A 56 48.192 0.273 30.294 1.00 1.00 H new ATOM 0 HE3 LYS A 56 48.237 -1.198 31.245 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 47.271 0.630 32.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 48.724 0.130 33.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 48.680 1.556 32.306 1.00 1.00 H new ATOM 857 N LYS A 57 51.422 -3.631 31.591 1.00 1.00 N ATOM 858 CA LYS A 57 51.220 -4.079 32.965 1.00 1.00 C ATOM 859 C LYS A 57 52.413 -4.903 33.441 1.00 1.00 C ATOM 860 O LYS A 57 52.815 -4.818 34.601 1.00 1.00 O ATOM 861 CB LYS A 57 49.946 -4.922 33.056 1.00 1.00 C ATOM 862 CG LYS A 57 48.741 -4.074 32.644 1.00 1.00 C ATOM 863 CD LYS A 57 48.067 -3.503 33.893 1.00 1.00 C ATOM 864 CE LYS A 57 46.889 -2.620 33.477 1.00 1.00 C ATOM 865 NZ LYS A 57 45.643 -3.112 34.130 1.00 1.00 N ATOM 0 H LYS A 57 50.671 -3.879 30.947 1.00 1.00 H new ATOM 0 HA LYS A 57 51.122 -3.201 33.604 1.00 1.00 H new ATOM 0 HB2 LYS A 57 50.028 -5.795 32.408 1.00 1.00 H new ATOM 0 HB3 LYS A 57 49.814 -5.291 34.073 1.00 1.00 H new ATOM 0 HG2 LYS A 57 49.060 -3.264 31.988 1.00 1.00 H new ATOM 0 HG3 LYS A 57 48.032 -4.680 32.080 1.00 1.00 H new ATOM 0 HD2 LYS A 57 47.720 -4.313 34.535 1.00 1.00 H new ATOM 0 HD3 LYS A 57 48.784 -2.922 34.473 1.00 1.00 H new ATOM 0 HE2 LYS A 57 47.078 -1.585 33.763 1.00 1.00 H new ATOM 0 HE3 LYS A 57 46.774 -2.635 32.393 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 44.842 -2.512 33.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 45.461 -4.093 33.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 45.755 -3.075 35.163 1.00 1.00 H new ATOM 879 N GLY A 58 52.972 -5.701 32.538 1.00 1.00 N ATOM 880 CA GLY A 58 54.119 -6.536 32.876 1.00 1.00 C ATOM 881 C GLY A 58 54.007 -7.907 32.218 1.00 1.00 C ATOM 882 O GLY A 58 54.389 -8.920 32.803 1.00 1.00 O ATOM 0 H GLY A 58 52.653 -5.787 31.573 1.00 1.00 H new ATOM 0 HA2 GLY A 58 55.038 -6.047 32.552 1.00 1.00 H new ATOM 0 HA3 GLY A 58 54.183 -6.652 33.958 1.00 1.00 H new ATOM 886 N HIS A 59 53.482 -7.931 30.997 1.00 1.00 N ATOM 887 CA HIS A 59 53.325 -9.184 30.269 1.00 1.00 C ATOM 888 C HIS A 59 52.540 -10.193 31.100 1.00 1.00 C ATOM 889 O HIS A 59 53.067 -11.236 31.488 1.00 1.00 O ATOM 890 CB HIS A 59 54.699 -9.763 29.923 1.00 1.00 C ATOM 891 CG HIS A 59 55.435 -8.806 29.027 1.00 1.00 C ATOM 892 ND1 HIS A 59 55.702 -7.465 29.139 1.00 1.00 N flip ATOM 893 CD2 HIS A 59 56.007 -9.207 27.830 1.00 1.00 C flip ATOM 894 CE1 HIS A 59 56.427 -7.037 28.030 1.00 1.00 C flip ATOM 895 NE2 HIS A 59 56.584 -8.127 27.273 1.00 1.00 N flip ATOM 0 H HIS A 59 53.160 -7.104 30.494 1.00 1.00 H new ATOM 0 HA HIS A 59 52.774 -8.982 29.350 1.00 1.00 H new ATOM 0 HB2 HIS A 59 55.271 -9.938 30.834 1.00 1.00 H new ATOM 0 HB3 HIS A 59 54.585 -10.727 29.428 1.00 1.00 H new ATOM 0 HD2 HIS A 59 55.992 -10.206 27.419 1.00 1.00 H new ATOM 0 HE1 HIS A 59 56.785 -6.039 27.826 1.00 1.00 H new ATOM 0 HE2 HIS A 59 57.080 -8.139 26.382 1.00 1.00 H new ATOM 903 N HIS A 60 51.277 -9.875 31.369 1.00 1.00 N ATOM 904 CA HIS A 60 50.426 -10.760 32.156 1.00 1.00 C ATOM 905 C HIS A 60 51.202 -11.354 33.327 1.00 1.00 C ATOM 906 O HIS A 60 50.867 -12.428 33.827 1.00 1.00 O ATOM 907 CB HIS A 60 49.891 -11.887 31.271 1.00 1.00 C ATOM 908 CG HIS A 60 50.981 -12.893 31.024 1.00 1.00 C ATOM 909 ND1 HIS A 60 51.252 -13.924 31.911 1.00 1.00 N ATOM 910 CD2 HIS A 60 51.879 -13.040 29.996 1.00 1.00 C ATOM 911 CE1 HIS A 60 52.273 -14.638 31.406 1.00 1.00 C ATOM 912 NE2 HIS A 60 52.693 -14.142 30.238 1.00 1.00 N ATOM 0 H HIS A 60 50.823 -9.017 31.056 1.00 1.00 H new ATOM 0 HA HIS A 60 49.593 -10.177 32.549 1.00 1.00 H new ATOM 0 HB2 HIS A 60 49.040 -12.368 31.752 1.00 1.00 H new ATOM 0 HB3 HIS A 60 49.534 -11.482 30.324 1.00 1.00 H new ATOM 0 HD1 HIS A 60 50.765 -14.107 32.788 1.00 1.00 H new ATOM 0 HD2 HIS A 60 51.944 -12.397 29.130 1.00 1.00 H new ATOM 0 HE1 HIS A 60 52.701 -15.506 31.885 1.00 1.00 H new ATOM 920 N HIS A 61 52.242 -10.648 33.759 1.00 1.00 N ATOM 921 CA HIS A 61 53.060 -11.115 34.872 1.00 1.00 C ATOM 922 C HIS A 61 53.580 -12.523 34.601 1.00 1.00 C ATOM 923 O HIS A 61 52.823 -13.493 34.643 1.00 1.00 O ATOM 924 CB HIS A 61 52.238 -11.112 36.162 1.00 1.00 C ATOM 925 CG HIS A 61 51.711 -9.727 36.418 1.00 1.00 C ATOM 926 ND1 HIS A 61 50.566 -9.499 37.164 1.00 1.00 N ATOM 927 CD2 HIS A 61 52.161 -8.488 36.034 1.00 1.00 C ATOM 928 CE1 HIS A 61 50.367 -8.169 37.207 1.00 1.00 C ATOM 929 NE2 HIS A 61 51.311 -7.506 36.534 1.00 1.00 N ATOM 0 H HIS A 61 52.537 -9.757 33.359 1.00 1.00 H new ATOM 0 HA HIS A 61 53.910 -10.441 34.982 1.00 1.00 H new ATOM 0 HB2 HIS A 61 51.411 -11.818 36.081 1.00 1.00 H new ATOM 0 HB3 HIS A 61 52.855 -11.438 36.999 1.00 1.00 H new ATOM 0 HD2 HIS A 61 53.041 -8.304 35.435 1.00 1.00 H new ATOM 0 HE1 HIS A 61 49.545 -7.696 37.723 1.00 1.00 H new ATOM 0 HE2 HIS A 61 51.392 -6.496 36.413 1.00 1.00 H new ATOM 937 N HIS A 62 54.876 -12.628 34.325 1.00 1.00 N ATOM 938 CA HIS A 62 55.486 -13.923 34.049 1.00 1.00 C ATOM 939 C HIS A 62 55.178 -14.910 35.170 1.00 1.00 C ATOM 940 O HIS A 62 54.213 -15.670 35.094 1.00 1.00 O ATOM 941 CB HIS A 62 57.001 -13.767 33.906 1.00 1.00 C ATOM 942 CG HIS A 62 57.316 -13.130 32.580 1.00 1.00 C ATOM 943 ND1 HIS A 62 58.124 -12.009 32.473 1.00 1.00 N ATOM 944 CD2 HIS A 62 56.939 -13.444 31.299 1.00 1.00 C ATOM 945 CE1 HIS A 62 58.207 -11.691 31.168 1.00 1.00 C ATOM 946 NE2 HIS A 62 57.503 -12.534 30.407 1.00 1.00 N ATOM 0 H HIS A 62 55.520 -11.838 34.287 1.00 1.00 H new ATOM 0 HA HIS A 62 55.071 -14.308 33.117 1.00 1.00 H new ATOM 0 HB2 HIS A 62 57.393 -13.154 34.718 1.00 1.00 H new ATOM 0 HB3 HIS A 62 57.486 -14.740 33.978 1.00 1.00 H new ATOM 0 HD2 HIS A 62 56.302 -14.271 31.023 1.00 1.00 H new ATOM 0 HE1 HIS A 62 58.774 -10.856 30.783 1.00 1.00 H new ATOM 0 HE2 HIS A 62 57.401 -12.515 29.392 1.00 1.00 H new ATOM 954 N HIS A 63 56.005 -14.892 36.211 1.00 1.00 N ATOM 955 CA HIS A 63 55.815 -15.785 37.344 1.00 1.00 C ATOM 956 C HIS A 63 55.978 -15.026 38.651 1.00 1.00 C ATOM 957 O HIS A 63 55.648 -13.844 38.747 1.00 1.00 O ATOM 958 CB HIS A 63 56.833 -16.926 37.284 1.00 1.00 C ATOM 959 CG HIS A 63 56.269 -18.137 37.973 1.00 1.00 C ATOM 960 ND1 HIS A 63 55.304 -18.277 38.939 1.00 1.00 N flip ATOM 961 CD2 HIS A 63 56.705 -19.421 37.686 1.00 1.00 C flip ATOM 962 CE1 HIS A 63 55.142 -19.624 39.248 1.00 1.00 C flip ATOM 963 NE2 HIS A 63 56.009 -20.270 38.465 1.00 1.00 N flip ATOM 0 H HIS A 63 56.810 -14.270 36.291 1.00 1.00 H new ATOM 0 HA HIS A 63 54.806 -16.195 37.297 1.00 1.00 H new ATOM 0 HB2 HIS A 63 57.070 -17.162 36.247 1.00 1.00 H new ATOM 0 HB3 HIS A 63 57.764 -16.623 37.763 1.00 1.00 H new ATOM 0 HD2 HIS A 63 57.465 -19.691 36.968 1.00 1.00 H new ATOM 0 HE1 HIS A 63 54.461 -20.055 39.967 1.00 1.00 H new ATOM 0 HE2 HIS A 63 56.129 -21.283 38.458 1.00 1.00 H new ATOM 971 N HIS A 64 56.489 -15.721 39.653 1.00 1.00 N ATOM 972 CA HIS A 64 56.701 -15.119 40.965 1.00 1.00 C ATOM 973 C HIS A 64 58.145 -14.651 41.113 1.00 1.00 C ATOM 974 O HIS A 64 58.935 -15.397 41.667 1.00 1.00 O ATOM 975 CB HIS A 64 56.376 -16.133 42.063 1.00 1.00 C ATOM 976 CG HIS A 64 54.890 -16.167 42.290 1.00 1.00 C ATOM 977 ND1 HIS A 64 54.206 -15.109 42.867 1.00 1.00 N ATOM 978 CD2 HIS A 64 53.943 -17.125 42.025 1.00 1.00 C ATOM 979 CE1 HIS A 64 52.906 -15.452 42.929 1.00 1.00 C ATOM 980 NE2 HIS A 64 52.691 -16.671 42.429 1.00 1.00 N ATOM 981 OXT HIS A 64 58.439 -13.553 40.670 1.00 1.00 O ATOM 0 H HIS A 64 56.765 -16.701 39.587 1.00 1.00 H new ATOM 0 HA HIS A 64 56.041 -14.257 41.060 1.00 1.00 H new ATOM 0 HB2 HIS A 64 56.734 -17.122 41.777 1.00 1.00 H new ATOM 0 HB3 HIS A 64 56.890 -15.863 42.986 1.00 1.00 H new ATOM 0 HD2 HIS A 64 54.140 -18.085 41.572 1.00 1.00 H new ATOM 0 HE1 HIS A 64 52.131 -14.818 43.334 1.00 1.00 H new ATOM 0 HE2 HIS A 64 51.801 -17.164 42.358 1.00 1.00 H new TER 989 HIS A 64