USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=19 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 63 HIS : no HD1:sc= -1.93! C(o=-2.2!,f=-3.3!) USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.274 K(o=-2.2,f=-3!) USER MOD Set 2.1: A 57 LYS NZ :NH3+ 175:sc= 0.239 (180deg=0) USER MOD Set 2.2: A 62 HIS : no HD1:sc= 0.16 K(o=0.4,f=-0.81) USER MOD Set 3.1: A 15 ASN : amide:sc= -3.8! C(o=-4.4!,f=-8.9!) USER MOD Set 3.2: A 16 GLN :FLIP amide:sc= -0.585 F(o=-13!,f=-4.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -141:sc= 0.0522 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -1.05 K(o=-1.1,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 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -28:sc= 0.254 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -68:sc= 0.24 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= -0.026 (180deg=-0.311) USER MOD Single : A 26 SER OG : rot 180:sc= -0.496 USER MOD Single : A 27 SER OG : rot -77:sc= 0.307! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -115:sc= -0.0596 (180deg=-0.0846) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 44 THR OG1 : rot -61:sc= 1.2 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.853 F(o=-2.8,f=-0.85) 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 59 HIS : no HD1:sc= 0.0254 K(o=0.025,f=-0.77) USER MOD Single : A 60 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.4!) USER MOD Single : A 61 HIS : no HE2:sc= -0.0272 X(o=-0.027,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 59.026 -32.239 -10.618 1.00 1.00 N ATOM 2 CA MET A 1 57.827 -33.119 -10.696 1.00 1.00 C ATOM 3 C MET A 1 57.308 -33.391 -9.288 1.00 1.00 C ATOM 4 O MET A 1 57.416 -32.543 -8.401 1.00 1.00 O ATOM 5 CB MET A 1 58.208 -34.437 -11.374 1.00 1.00 C ATOM 6 CG MET A 1 56.987 -35.011 -12.096 1.00 1.00 C ATOM 7 SD MET A 1 56.834 -34.244 -13.728 1.00 1.00 S ATOM 8 CE MET A 1 55.591 -35.376 -14.395 1.00 1.00 C ATOM 0 H1 MET A 1 59.002 -31.550 -11.397 1.00 1.00 H new ATOM 0 H2 MET A 1 59.027 -31.734 -9.709 1.00 1.00 H new ATOM 0 H3 MET A 1 59.887 -32.818 -10.694 1.00 1.00 H new ATOM 0 HA MET A 1 57.047 -32.629 -11.278 1.00 1.00 H new ATOM 0 HB2 MET A 1 59.019 -34.272 -12.083 1.00 1.00 H new ATOM 0 HB3 MET A 1 58.573 -35.148 -10.632 1.00 1.00 H new ATOM 0 HG2 MET A 1 57.087 -36.092 -12.198 1.00 1.00 H new ATOM 0 HG3 MET A 1 56.086 -34.828 -11.511 1.00 1.00 H new ATOM 0 HE1 MET A 1 55.343 -35.084 -15.415 1.00 1.00 H new ATOM 0 HE2 MET A 1 55.986 -36.392 -14.395 1.00 1.00 H new ATOM 0 HE3 MET A 1 54.694 -35.336 -13.777 1.00 1.00 H new ATOM 20 N GLU A 2 56.744 -34.578 -9.089 1.00 1.00 N ATOM 21 CA GLU A 2 56.211 -34.950 -7.784 1.00 1.00 C ATOM 22 C GLU A 2 55.884 -36.439 -7.744 1.00 1.00 C ATOM 23 O GLU A 2 54.763 -36.830 -7.416 1.00 1.00 O ATOM 24 CB GLU A 2 54.949 -34.140 -7.484 1.00 1.00 C ATOM 25 CG GLU A 2 54.015 -34.182 -8.696 1.00 1.00 C ATOM 26 CD GLU A 2 52.562 -34.158 -8.234 1.00 1.00 C ATOM 27 OE1 GLU A 2 52.141 -35.121 -7.616 1.00 1.00 O ATOM 28 OE2 GLU A 2 51.891 -33.175 -8.507 1.00 1.00 O ATOM 0 H GLU A 2 56.645 -35.294 -9.809 1.00 1.00 H new ATOM 0 HA GLU A 2 56.967 -34.735 -7.029 1.00 1.00 H new ATOM 0 HB2 GLU A 2 54.443 -34.546 -6.608 1.00 1.00 H new ATOM 0 HB3 GLU A 2 55.213 -33.109 -7.251 1.00 1.00 H new ATOM 0 HG2 GLU A 2 54.212 -33.331 -9.348 1.00 1.00 H new ATOM 0 HG3 GLU A 2 54.205 -35.082 -9.281 1.00 1.00 H new ATOM 35 N GLU A 3 56.868 -37.267 -8.081 1.00 1.00 N ATOM 36 CA GLU A 3 56.673 -38.711 -8.081 1.00 1.00 C ATOM 37 C GLU A 3 56.502 -39.229 -6.656 1.00 1.00 C ATOM 38 O GLU A 3 57.446 -39.740 -6.054 1.00 1.00 O ATOM 39 CB GLU A 3 57.871 -39.401 -8.736 1.00 1.00 C ATOM 40 CG GLU A 3 57.922 -39.036 -10.220 1.00 1.00 C ATOM 41 CD GLU A 3 59.365 -38.790 -10.649 1.00 1.00 C ATOM 42 OE1 GLU A 3 60.047 -38.046 -9.964 1.00 1.00 O ATOM 43 OE2 GLU A 3 59.766 -39.350 -11.655 1.00 1.00 O ATOM 0 H GLU A 3 57.803 -36.964 -8.356 1.00 1.00 H new ATOM 0 HA GLU A 3 55.770 -38.936 -8.648 1.00 1.00 H new ATOM 0 HB2 GLU A 3 58.794 -39.095 -8.244 1.00 1.00 H new ATOM 0 HB3 GLU A 3 57.790 -40.482 -8.619 1.00 1.00 H new ATOM 0 HG2 GLU A 3 57.489 -39.840 -10.815 1.00 1.00 H new ATOM 0 HG3 GLU A 3 57.322 -38.145 -10.404 1.00 1.00 H new ATOM 50 N GLY A 4 55.292 -39.094 -6.124 1.00 1.00 N ATOM 51 CA GLY A 4 55.008 -39.552 -4.769 1.00 1.00 C ATOM 52 C GLY A 4 54.787 -41.060 -4.739 1.00 1.00 C ATOM 53 O GLY A 4 55.549 -41.821 -5.335 1.00 1.00 O ATOM 0 H GLY A 4 54.497 -38.674 -6.606 1.00 1.00 H new ATOM 0 HA2 GLY A 4 55.836 -39.289 -4.111 1.00 1.00 H new ATOM 0 HA3 GLY A 4 54.123 -39.043 -4.387 1.00 1.00 H new ATOM 57 N GLY A 5 53.739 -41.486 -4.041 1.00 1.00 N ATOM 58 CA GLY A 5 53.426 -42.906 -3.940 1.00 1.00 C ATOM 59 C GLY A 5 52.016 -43.116 -3.397 1.00 1.00 C ATOM 60 O GLY A 5 51.538 -44.246 -3.313 1.00 1.00 O ATOM 0 H GLY A 5 53.096 -40.872 -3.540 1.00 1.00 H new ATOM 0 HA2 GLY A 5 53.515 -43.373 -4.921 1.00 1.00 H new ATOM 0 HA3 GLY A 5 54.148 -43.396 -3.287 1.00 1.00 H new ATOM 64 N ASP A 6 51.360 -42.017 -3.033 1.00 1.00 N ATOM 65 CA ASP A 6 50.003 -42.077 -2.499 1.00 1.00 C ATOM 66 C ASP A 6 49.579 -40.692 -2.006 1.00 1.00 C ATOM 67 O ASP A 6 49.568 -40.414 -0.807 1.00 1.00 O ATOM 68 CB ASP A 6 49.919 -43.105 -1.357 1.00 1.00 C ATOM 69 CG ASP A 6 49.137 -44.336 -1.814 1.00 1.00 C ATOM 70 OD1 ASP A 6 49.256 -44.698 -2.973 1.00 1.00 O ATOM 71 OD2 ASP A 6 48.427 -44.896 -0.995 1.00 1.00 O ATOM 0 H ASP A 6 51.746 -41.075 -3.098 1.00 1.00 H new ATOM 0 HA ASP A 6 49.324 -42.393 -3.291 1.00 1.00 H new ATOM 0 HB2 ASP A 6 50.922 -43.397 -1.046 1.00 1.00 H new ATOM 0 HB3 ASP A 6 49.434 -42.658 -0.490 1.00 1.00 H new ATOM 76 N PHE A 7 49.243 -39.821 -2.950 1.00 1.00 N ATOM 77 CA PHE A 7 48.828 -38.464 -2.613 1.00 1.00 C ATOM 78 C PHE A 7 47.935 -37.890 -3.708 1.00 1.00 C ATOM 79 O PHE A 7 48.256 -36.864 -4.309 1.00 1.00 O ATOM 80 CB PHE A 7 50.058 -37.571 -2.433 1.00 1.00 C ATOM 81 CG PHE A 7 50.808 -37.992 -1.193 1.00 1.00 C ATOM 82 CD1 PHE A 7 50.376 -37.561 0.068 1.00 1.00 C ATOM 83 CD2 PHE A 7 51.937 -38.813 -1.302 1.00 1.00 C ATOM 84 CE1 PHE A 7 51.072 -37.951 1.218 1.00 1.00 C ATOM 85 CE2 PHE A 7 52.634 -39.202 -0.151 1.00 1.00 C ATOM 86 CZ PHE A 7 52.201 -38.772 1.108 1.00 1.00 C ATOM 0 H PHE A 7 49.249 -40.028 -3.949 1.00 1.00 H new ATOM 0 HA PHE A 7 48.264 -38.497 -1.681 1.00 1.00 H new ATOM 0 HB2 PHE A 7 50.706 -37.646 -3.306 1.00 1.00 H new ATOM 0 HB3 PHE A 7 49.754 -36.527 -2.350 1.00 1.00 H new ATOM 0 HD1 PHE A 7 49.505 -36.927 0.153 1.00 1.00 H new ATOM 0 HD2 PHE A 7 52.270 -39.146 -2.274 1.00 1.00 H new ATOM 0 HE1 PHE A 7 50.738 -37.619 2.190 1.00 1.00 H new ATOM 0 HE2 PHE A 7 53.506 -39.834 -0.235 1.00 1.00 H new ATOM 0 HZ PHE A 7 52.738 -39.073 1.995 1.00 1.00 H new ATOM 96 N ASP A 8 46.815 -38.558 -3.962 1.00 1.00 N ATOM 97 CA ASP A 8 45.883 -38.104 -4.988 1.00 1.00 C ATOM 98 C ASP A 8 44.451 -38.470 -4.610 1.00 1.00 C ATOM 99 O ASP A 8 43.736 -39.105 -5.386 1.00 1.00 O ATOM 100 CB ASP A 8 46.235 -38.741 -6.334 1.00 1.00 C ATOM 101 CG ASP A 8 47.469 -38.068 -6.924 1.00 1.00 C ATOM 102 OD1 ASP A 8 47.463 -36.852 -7.026 1.00 1.00 O ATOM 103 OD2 ASP A 8 48.401 -38.776 -7.265 1.00 1.00 O ATOM 0 H ASP A 8 46.532 -39.409 -3.476 1.00 1.00 H new ATOM 0 HA ASP A 8 45.961 -37.020 -5.068 1.00 1.00 H new ATOM 0 HB2 ASP A 8 46.420 -39.807 -6.203 1.00 1.00 H new ATOM 0 HB3 ASP A 8 45.395 -38.645 -7.022 1.00 1.00 H new ATOM 108 N ASN A 9 44.039 -38.065 -3.413 1.00 1.00 N ATOM 109 CA ASN A 9 42.690 -38.355 -2.942 1.00 1.00 C ATOM 110 C ASN A 9 42.087 -37.133 -2.256 1.00 1.00 C ATOM 111 O ASN A 9 41.571 -37.226 -1.142 1.00 1.00 O ATOM 112 CB ASN A 9 42.720 -39.529 -1.961 1.00 1.00 C ATOM 113 CG ASN A 9 43.527 -40.680 -2.551 1.00 1.00 C ATOM 114 OD1 ASN A 9 43.374 -41.010 -3.727 1.00 1.00 O ATOM 115 ND2 ASN A 9 44.386 -41.315 -1.799 1.00 1.00 N ATOM 0 H ASN A 9 44.615 -37.539 -2.756 1.00 1.00 H new ATOM 0 HA ASN A 9 42.074 -38.616 -3.803 1.00 1.00 H new ATOM 0 HB2 ASN A 9 43.160 -39.212 -1.015 1.00 1.00 H new ATOM 0 HB3 ASN A 9 41.704 -39.859 -1.745 1.00 1.00 H new ATOM 0 HD21 ASN A 9 44.931 -42.085 -2.186 1.00 1.00 H new ATOM 0 HD22 ASN A 9 44.512 -41.040 -0.825 1.00 1.00 H new ATOM 122 N TYR A 10 42.152 -35.990 -2.930 1.00 1.00 N ATOM 123 CA TYR A 10 41.608 -34.754 -2.379 1.00 1.00 C ATOM 124 C TYR A 10 41.940 -34.633 -0.893 1.00 1.00 C ATOM 125 O TYR A 10 41.286 -33.892 -0.159 1.00 1.00 O ATOM 126 CB TYR A 10 40.093 -34.729 -2.576 1.00 1.00 C ATOM 127 CG TYR A 10 39.713 -33.545 -3.435 1.00 1.00 C ATOM 128 CD1 TYR A 10 40.236 -33.428 -4.729 1.00 1.00 C ATOM 129 CD2 TYR A 10 38.842 -32.568 -2.942 1.00 1.00 C ATOM 130 CE1 TYR A 10 39.885 -32.334 -5.529 1.00 1.00 C ATOM 131 CE2 TYR A 10 38.492 -31.474 -3.741 1.00 1.00 C ATOM 132 CZ TYR A 10 39.013 -31.357 -5.035 1.00 1.00 C ATOM 133 OH TYR A 10 38.668 -30.278 -5.823 1.00 1.00 O ATOM 0 H TYR A 10 42.574 -35.893 -3.854 1.00 1.00 H new ATOM 0 HA TYR A 10 42.058 -33.910 -2.902 1.00 1.00 H new ATOM 0 HB2 TYR A 10 39.762 -35.654 -3.048 1.00 1.00 H new ATOM 0 HB3 TYR A 10 39.592 -34.666 -1.610 1.00 1.00 H new ATOM 0 HD1 TYR A 10 40.910 -34.181 -5.110 1.00 1.00 H new ATOM 0 HD2 TYR A 10 38.439 -32.658 -1.944 1.00 1.00 H new ATOM 0 HE1 TYR A 10 40.287 -32.244 -6.527 1.00 1.00 H new ATOM 0 HE2 TYR A 10 37.820 -30.720 -3.359 1.00 1.00 H new ATOM 0 HH TYR A 10 38.054 -29.695 -5.329 1.00 1.00 H new ATOM 143 N TYR A 11 42.962 -35.363 -0.457 1.00 1.00 N ATOM 144 CA TYR A 11 43.373 -35.326 0.942 1.00 1.00 C ATOM 145 C TYR A 11 42.156 -35.350 1.860 1.00 1.00 C ATOM 146 O TYR A 11 42.116 -34.652 2.873 1.00 1.00 O ATOM 147 CB TYR A 11 44.199 -34.065 1.206 1.00 1.00 C ATOM 148 CG TYR A 11 44.816 -33.593 -0.086 1.00 1.00 C ATOM 149 CD1 TYR A 11 44.121 -32.695 -0.907 1.00 1.00 C ATOM 150 CD2 TYR A 11 46.082 -34.052 -0.468 1.00 1.00 C ATOM 151 CE1 TYR A 11 44.692 -32.259 -2.109 1.00 1.00 C ATOM 152 CE2 TYR A 11 46.652 -33.616 -1.670 1.00 1.00 C ATOM 153 CZ TYR A 11 45.958 -32.720 -2.490 1.00 1.00 C ATOM 154 OH TYR A 11 46.520 -32.289 -3.674 1.00 1.00 O ATOM 0 H TYR A 11 43.517 -35.983 -1.047 1.00 1.00 H new ATOM 0 HA TYR A 11 43.981 -36.207 1.150 1.00 1.00 H new ATOM 0 HB2 TYR A 11 43.566 -33.284 1.627 1.00 1.00 H new ATOM 0 HB3 TYR A 11 44.978 -34.274 1.939 1.00 1.00 H new ATOM 0 HD1 TYR A 11 43.145 -32.339 -0.613 1.00 1.00 H new ATOM 0 HD2 TYR A 11 46.619 -34.743 0.165 1.00 1.00 H new ATOM 0 HE1 TYR A 11 44.156 -31.567 -2.742 1.00 1.00 H new ATOM 0 HE2 TYR A 11 47.628 -33.972 -1.964 1.00 1.00 H new ATOM 0 HH TYR A 11 47.401 -32.703 -3.788 1.00 1.00 H new ATOM 164 N GLY A 12 41.167 -36.159 1.498 1.00 1.00 N ATOM 165 CA GLY A 12 39.950 -36.270 2.296 1.00 1.00 C ATOM 166 C GLY A 12 39.507 -34.905 2.811 1.00 1.00 C ATOM 167 O GLY A 12 38.881 -34.802 3.865 1.00 1.00 O ATOM 0 H GLY A 12 41.182 -36.744 0.663 1.00 1.00 H new ATOM 0 HA2 GLY A 12 39.155 -36.711 1.694 1.00 1.00 H new ATOM 0 HA3 GLY A 12 40.123 -36.941 3.137 1.00 1.00 H new ATOM 171 N ALA A 13 39.837 -33.860 2.059 1.00 1.00 N ATOM 172 CA ALA A 13 39.468 -32.504 2.448 1.00 1.00 C ATOM 173 C ALA A 13 40.287 -31.480 1.669 1.00 1.00 C ATOM 174 O ALA A 13 41.451 -31.232 1.985 1.00 1.00 O ATOM 175 CB ALA A 13 39.699 -32.310 3.948 1.00 1.00 C ATOM 0 H ALA A 13 40.355 -33.925 1.183 1.00 1.00 H new ATOM 0 HA ALA A 13 38.412 -32.356 2.220 1.00 1.00 H new ATOM 0 HB1 ALA A 13 39.421 -31.295 4.231 1.00 1.00 H new ATOM 0 HB2 ALA A 13 39.089 -33.021 4.505 1.00 1.00 H new ATOM 0 HB3 ALA A 13 40.751 -32.475 4.178 1.00 1.00 H new ATOM 181 N ASP A 14 39.671 -30.888 0.651 1.00 1.00 N ATOM 182 CA ASP A 14 40.354 -29.891 -0.167 1.00 1.00 C ATOM 183 C ASP A 14 39.386 -28.792 -0.589 1.00 1.00 C ATOM 184 O ASP A 14 39.524 -28.208 -1.663 1.00 1.00 O ATOM 185 CB ASP A 14 40.952 -30.554 -1.409 1.00 1.00 C ATOM 186 CG ASP A 14 42.353 -30.008 -1.668 1.00 1.00 C ATOM 187 OD1 ASP A 14 43.140 -29.985 -0.737 1.00 1.00 O ATOM 188 OD2 ASP A 14 42.617 -29.622 -2.796 1.00 1.00 O ATOM 0 H ASP A 14 38.708 -31.079 0.374 1.00 1.00 H new ATOM 0 HA ASP A 14 41.153 -29.447 0.426 1.00 1.00 H new ATOM 0 HB2 ASP A 14 40.994 -31.634 -1.270 1.00 1.00 H new ATOM 0 HB3 ASP A 14 40.315 -30.368 -2.273 1.00 1.00 H new ATOM 193 N ASN A 15 38.404 -28.515 0.263 1.00 1.00 N ATOM 194 CA ASN A 15 37.418 -27.482 -0.031 1.00 1.00 C ATOM 195 C ASN A 15 37.066 -26.700 1.230 1.00 1.00 C ATOM 196 O ASN A 15 36.765 -25.507 1.168 1.00 1.00 O ATOM 197 CB ASN A 15 36.152 -28.119 -0.609 1.00 1.00 C ATOM 198 CG ASN A 15 35.484 -28.999 0.444 1.00 1.00 C ATOM 199 OD1 ASN A 15 35.097 -28.512 1.506 1.00 1.00 O ATOM 200 ND2 ASN A 15 35.326 -30.273 0.211 1.00 1.00 N ATOM 0 H ASN A 15 38.270 -28.988 1.157 1.00 1.00 H new ATOM 0 HA ASN A 15 37.846 -26.795 -0.761 1.00 1.00 H new ATOM 0 HB2 ASN A 15 35.461 -27.342 -0.937 1.00 1.00 H new ATOM 0 HB3 ASN A 15 36.403 -28.714 -1.487 1.00 1.00 H new ATOM 0 HD21 ASN A 15 34.881 -30.868 0.910 1.00 1.00 H new ATOM 0 HD22 ASN A 15 35.648 -30.674 -0.670 1.00 1.00 H new ATOM 207 N GLN A 16 37.109 -27.378 2.372 1.00 1.00 N ATOM 208 CA GLN A 16 36.793 -26.735 3.643 1.00 1.00 C ATOM 209 C GLN A 16 38.040 -26.095 4.244 1.00 1.00 C ATOM 210 O GLN A 16 38.087 -25.807 5.439 1.00 1.00 O ATOM 211 CB GLN A 16 36.222 -27.763 4.621 1.00 1.00 C ATOM 212 CG GLN A 16 37.151 -28.977 4.686 1.00 1.00 C ATOM 213 CD GLN A 16 36.532 -30.148 3.931 1.00 1.00 C ATOM 214 OE1 GLN A 16 36.768 -30.287 2.655 1.00 1.00 O flip ATOM 215 NE2 GLN A 16 35.816 -30.959 4.518 1.00 1.00 N flip ATOM 0 H GLN A 16 37.357 -28.365 2.444 1.00 1.00 H new ATOM 0 HA GLN A 16 36.051 -25.957 3.461 1.00 1.00 H new ATOM 0 HB2 GLN A 16 36.116 -27.319 5.611 1.00 1.00 H new ATOM 0 HB3 GLN A 16 35.226 -28.070 4.302 1.00 1.00 H new ATOM 0 HG2 GLN A 16 38.120 -28.727 4.255 1.00 1.00 H new ATOM 0 HG3 GLN A 16 37.327 -29.256 5.725 1.00 1.00 H new ATOM 0 HE21 GLN A 16 35.632 -30.849 5.515 1.00 1.00 H new ATOM 0 HE22 GLN A 16 35.406 -31.741 4.007 1.00 1.00 H new ATOM 224 N SER A 17 39.048 -25.874 3.406 1.00 1.00 N ATOM 225 CA SER A 17 40.291 -25.267 3.866 1.00 1.00 C ATOM 226 C SER A 17 40.909 -24.411 2.764 1.00 1.00 C ATOM 227 O SER A 17 41.464 -23.347 3.032 1.00 1.00 O ATOM 228 CB SER A 17 41.281 -26.356 4.283 1.00 1.00 C ATOM 229 OG SER A 17 42.363 -25.761 4.985 1.00 1.00 O ATOM 0 H SER A 17 39.029 -26.104 2.413 1.00 1.00 H new ATOM 0 HA SER A 17 40.068 -24.631 4.723 1.00 1.00 H new ATOM 0 HB2 SER A 17 40.784 -27.093 4.914 1.00 1.00 H new ATOM 0 HB3 SER A 17 41.649 -26.885 3.404 1.00 1.00 H new ATOM 0 HG SER A 17 42.999 -26.456 5.255 1.00 1.00 H new ATOM 235 N GLU A 18 40.800 -24.883 1.526 1.00 1.00 N ATOM 236 CA GLU A 18 41.345 -24.159 0.385 1.00 1.00 C ATOM 237 C GLU A 18 42.743 -23.627 0.691 1.00 1.00 C ATOM 238 O GLU A 18 42.900 -22.586 1.330 1.00 1.00 O ATOM 239 CB GLU A 18 40.416 -23.000 0.016 1.00 1.00 C ATOM 240 CG GLU A 18 40.097 -23.058 -1.478 1.00 1.00 C ATOM 241 CD GLU A 18 39.190 -24.249 -1.772 1.00 1.00 C ATOM 242 OE1 GLU A 18 38.144 -24.337 -1.152 1.00 1.00 O ATOM 243 OE2 GLU A 18 39.555 -25.053 -2.614 1.00 1.00 O ATOM 0 H GLU A 18 40.340 -25.762 1.289 1.00 1.00 H new ATOM 0 HA GLU A 18 41.419 -24.849 -0.456 1.00 1.00 H new ATOM 0 HB2 GLU A 18 39.496 -23.058 0.598 1.00 1.00 H new ATOM 0 HB3 GLU A 18 40.889 -22.049 0.261 1.00 1.00 H new ATOM 0 HG2 GLU A 18 39.610 -22.134 -1.791 1.00 1.00 H new ATOM 0 HG3 GLU A 18 41.020 -23.142 -2.052 1.00 1.00 H new ATOM 250 N CYS A 19 43.757 -24.350 0.226 1.00 1.00 N ATOM 251 CA CYS A 19 45.142 -23.948 0.449 1.00 1.00 C ATOM 252 C CYS A 19 45.764 -23.435 -0.844 1.00 1.00 C ATOM 253 O CYS A 19 46.974 -23.214 -0.918 1.00 1.00 O ATOM 254 CB CYS A 19 45.953 -25.135 0.971 1.00 1.00 C ATOM 255 SG CYS A 19 46.943 -24.612 2.394 1.00 1.00 S ATOM 0 H CYS A 19 43.647 -25.214 -0.305 1.00 1.00 H new ATOM 0 HA CYS A 19 45.154 -23.147 1.188 1.00 1.00 H new ATOM 0 HB2 CYS A 19 45.285 -25.947 1.258 1.00 1.00 H new ATOM 0 HB3 CYS A 19 46.602 -25.519 0.184 1.00 1.00 H new ATOM 0 HG CYS A 19 47.208 -23.343 2.296 1.00 1.00 H new ATOM 261 N GLU A 20 44.931 -23.246 -1.862 1.00 1.00 N ATOM 262 CA GLU A 20 45.410 -22.758 -3.149 1.00 1.00 C ATOM 263 C GLU A 20 46.669 -23.507 -3.573 1.00 1.00 C ATOM 264 O GLU A 20 47.394 -23.067 -4.465 1.00 1.00 O ATOM 265 CB GLU A 20 45.709 -21.260 -3.060 1.00 1.00 C ATOM 266 CG GLU A 20 45.557 -20.626 -4.444 1.00 1.00 C ATOM 267 CD GLU A 20 46.054 -19.184 -4.414 1.00 1.00 C ATOM 268 OE1 GLU A 20 46.353 -18.704 -3.333 1.00 1.00 O ATOM 269 OE2 GLU A 20 46.129 -18.582 -5.473 1.00 1.00 O ATOM 0 H GLU A 20 43.927 -23.422 -1.821 1.00 1.00 H new ATOM 0 HA GLU A 20 44.633 -22.930 -3.894 1.00 1.00 H new ATOM 0 HB2 GLU A 20 45.029 -20.784 -2.354 1.00 1.00 H new ATOM 0 HB3 GLU A 20 46.720 -21.102 -2.685 1.00 1.00 H new ATOM 0 HG2 GLU A 20 46.122 -21.199 -5.180 1.00 1.00 H new ATOM 0 HG3 GLU A 20 44.512 -20.653 -4.753 1.00 1.00 H new ATOM 276 N TYR A 21 46.924 -24.640 -2.927 1.00 1.00 N ATOM 277 CA TYR A 21 48.099 -25.442 -3.244 1.00 1.00 C ATOM 278 C TYR A 21 49.362 -24.776 -2.709 1.00 1.00 C ATOM 279 O TYR A 21 50.397 -24.759 -3.375 1.00 1.00 O ATOM 280 CB TYR A 21 48.216 -25.618 -4.760 1.00 1.00 C ATOM 281 CG TYR A 21 48.807 -26.972 -5.066 1.00 1.00 C ATOM 282 CD1 TYR A 21 48.030 -28.127 -4.912 1.00 1.00 C ATOM 283 CD2 TYR A 21 50.133 -27.074 -5.504 1.00 1.00 C ATOM 284 CE1 TYR A 21 48.579 -29.383 -5.197 1.00 1.00 C ATOM 285 CE2 TYR A 21 50.682 -28.329 -5.789 1.00 1.00 C ATOM 286 CZ TYR A 21 49.905 -29.484 -5.635 1.00 1.00 C ATOM 287 OH TYR A 21 50.446 -30.722 -5.916 1.00 1.00 O ATOM 0 H TYR A 21 46.337 -25.021 -2.185 1.00 1.00 H new ATOM 0 HA TYR A 21 47.989 -26.418 -2.772 1.00 1.00 H new ATOM 0 HB2 TYR A 21 47.234 -25.525 -5.224 1.00 1.00 H new ATOM 0 HB3 TYR A 21 48.843 -24.832 -5.181 1.00 1.00 H new ATOM 0 HD1 TYR A 21 47.007 -28.049 -4.573 1.00 1.00 H new ATOM 0 HD2 TYR A 21 50.732 -26.183 -5.622 1.00 1.00 H new ATOM 0 HE1 TYR A 21 47.980 -30.274 -5.079 1.00 1.00 H new ATOM 0 HE2 TYR A 21 51.705 -28.407 -6.128 1.00 1.00 H new ATOM 0 HH TYR A 21 51.375 -30.614 -6.209 1.00 1.00 H new ATOM 297 N THR A 22 49.269 -24.226 -1.502 1.00 1.00 N ATOM 298 CA THR A 22 50.411 -23.559 -0.888 1.00 1.00 C ATOM 299 C THR A 22 50.820 -22.340 -1.706 1.00 1.00 C ATOM 300 O THR A 22 52.000 -22.143 -1.998 1.00 1.00 O ATOM 301 CB THR A 22 51.591 -24.530 -0.786 1.00 1.00 C ATOM 302 OG1 THR A 22 52.318 -24.517 -2.007 1.00 1.00 O ATOM 303 CG2 THR A 22 51.071 -25.942 -0.512 1.00 1.00 C ATOM 0 H THR A 22 48.422 -24.229 -0.934 1.00 1.00 H new ATOM 0 HA THR A 22 50.124 -23.232 0.112 1.00 1.00 H new ATOM 0 HB THR A 22 52.246 -24.224 0.030 1.00 1.00 H new ATOM 0 HG1 THR A 22 51.774 -24.919 -2.716 1.00 1.00 H new ATOM 0 HG21 THR A 22 51.912 -26.632 -0.440 1.00 1.00 H new ATOM 0 HG22 THR A 22 50.514 -25.949 0.425 1.00 1.00 H new ATOM 0 HG23 THR A 22 50.416 -26.253 -1.326 1.00 1.00 H new ATOM 311 N ASP A 23 49.836 -21.526 -2.076 1.00 1.00 N ATOM 312 CA ASP A 23 50.101 -20.326 -2.863 1.00 1.00 C ATOM 313 C ASP A 23 49.333 -19.137 -2.298 1.00 1.00 C ATOM 314 O ASP A 23 49.392 -18.033 -2.839 1.00 1.00 O ATOM 315 CB ASP A 23 49.690 -20.558 -4.319 1.00 1.00 C ATOM 316 CG ASP A 23 50.730 -21.423 -5.022 1.00 1.00 C ATOM 317 OD1 ASP A 23 51.908 -21.187 -4.813 1.00 1.00 O ATOM 318 OD2 ASP A 23 50.332 -22.310 -5.760 1.00 1.00 O ATOM 0 H ASP A 23 48.853 -21.674 -1.845 1.00 1.00 H new ATOM 0 HA ASP A 23 51.168 -20.109 -2.817 1.00 1.00 H new ATOM 0 HB2 ASP A 23 48.715 -21.044 -4.357 1.00 1.00 H new ATOM 0 HB3 ASP A 23 49.591 -19.603 -4.834 1.00 1.00 H new ATOM 323 N TRP A 24 48.613 -19.370 -1.206 1.00 1.00 N ATOM 324 CA TRP A 24 47.836 -18.310 -0.574 1.00 1.00 C ATOM 325 C TRP A 24 48.712 -17.493 0.372 1.00 1.00 C ATOM 326 O TRP A 24 48.227 -16.603 1.069 1.00 1.00 O ATOM 327 CB TRP A 24 46.668 -18.914 0.207 1.00 1.00 C ATOM 328 CG TRP A 24 47.194 -19.685 1.374 1.00 1.00 C ATOM 329 CD1 TRP A 24 47.791 -20.897 1.299 1.00 1.00 C ATOM 330 CD2 TRP A 24 47.184 -19.319 2.784 1.00 1.00 C ATOM 331 NE1 TRP A 24 48.147 -21.298 2.574 1.00 1.00 N ATOM 332 CE2 TRP A 24 47.794 -20.360 3.524 1.00 1.00 C ATOM 333 CE3 TRP A 24 46.709 -18.198 3.488 1.00 1.00 C ATOM 334 CZ2 TRP A 24 47.929 -20.291 4.910 1.00 1.00 C ATOM 335 CZ3 TRP A 24 46.843 -18.125 4.884 1.00 1.00 C ATOM 336 CH2 TRP A 24 47.452 -19.169 5.593 1.00 1.00 C ATOM 0 H TRP A 24 48.551 -20.277 -0.743 1.00 1.00 H new ATOM 0 HA TRP A 24 47.452 -17.653 -1.355 1.00 1.00 H new ATOM 0 HB2 TRP A 24 46.000 -18.125 0.551 1.00 1.00 H new ATOM 0 HB3 TRP A 24 46.083 -19.567 -0.440 1.00 1.00 H new ATOM 0 HD1 TRP A 24 47.962 -21.459 0.393 1.00 1.00 H new ATOM 0 HE1 TRP A 24 48.614 -22.180 2.787 1.00 1.00 H new ATOM 0 HE3 TRP A 24 46.238 -17.388 2.951 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 48.399 -21.099 5.452 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 46.475 -17.259 5.414 1.00 1.00 H new ATOM 0 HH2 TRP A 24 47.553 -19.107 6.666 1.00 1.00 H new ATOM 347 N LYS A 25 50.005 -17.803 0.390 1.00 1.00 N ATOM 348 CA LYS A 25 50.938 -17.091 1.256 1.00 1.00 C ATOM 349 C LYS A 25 52.333 -17.069 0.638 1.00 1.00 C ATOM 350 O LYS A 25 53.324 -16.828 1.327 1.00 1.00 O ATOM 351 CB LYS A 25 50.995 -17.760 2.632 1.00 1.00 C ATOM 352 CG LYS A 25 50.833 -19.276 2.481 1.00 1.00 C ATOM 353 CD LYS A 25 51.903 -19.817 1.531 1.00 1.00 C ATOM 354 CE LYS A 25 52.010 -21.334 1.692 1.00 1.00 C ATOM 355 NZ LYS A 25 52.705 -21.650 2.972 1.00 1.00 N ATOM 0 H LYS A 25 50.427 -18.536 -0.180 1.00 1.00 H new ATOM 0 HA LYS A 25 50.587 -16.065 1.369 1.00 1.00 H new ATOM 0 HB2 LYS A 25 51.944 -17.533 3.117 1.00 1.00 H new ATOM 0 HB3 LYS A 25 50.207 -17.363 3.272 1.00 1.00 H new ATOM 0 HG2 LYS A 25 50.919 -19.759 3.454 1.00 1.00 H new ATOM 0 HG3 LYS A 25 49.840 -19.509 2.096 1.00 1.00 H new ATOM 0 HD2 LYS A 25 51.649 -19.567 0.501 1.00 1.00 H new ATOM 0 HD3 LYS A 25 52.864 -19.349 1.745 1.00 1.00 H new ATOM 0 HE2 LYS A 25 51.016 -21.782 1.685 1.00 1.00 H new ATOM 0 HE3 LYS A 25 52.558 -21.762 0.853 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 53.108 -22.608 2.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 53.468 -20.962 3.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 52.025 -21.602 3.757 1.00 1.00 H new ATOM 369 N SER A 26 52.403 -17.322 -0.665 1.00 1.00 N ATOM 370 CA SER A 26 53.683 -17.328 -1.364 1.00 1.00 C ATOM 371 C SER A 26 53.476 -17.165 -2.866 1.00 1.00 C ATOM 372 O SER A 26 53.336 -16.050 -3.362 1.00 1.00 O ATOM 373 CB SER A 26 54.421 -18.638 -1.087 1.00 1.00 C ATOM 374 OG SER A 26 53.478 -19.695 -0.981 1.00 1.00 O ATOM 0 H SER A 26 51.595 -17.524 -1.254 1.00 1.00 H new ATOM 0 HA SER A 26 54.279 -16.491 -1.000 1.00 1.00 H new ATOM 0 HB2 SER A 26 55.129 -18.846 -1.889 1.00 1.00 H new ATOM 0 HB3 SER A 26 54.998 -18.556 -0.166 1.00 1.00 H new ATOM 0 HG SER A 26 53.948 -20.537 -0.805 1.00 1.00 H new ATOM 380 N SER A 27 53.462 -18.287 -3.581 1.00 1.00 N ATOM 381 CA SER A 27 53.277 -18.262 -5.028 1.00 1.00 C ATOM 382 C SER A 27 54.431 -17.525 -5.704 1.00 1.00 C ATOM 383 O SER A 27 55.243 -18.134 -6.400 1.00 1.00 O ATOM 384 CB SER A 27 51.946 -17.591 -5.379 1.00 1.00 C ATOM 385 OG SER A 27 52.104 -16.179 -5.371 1.00 1.00 O ATOM 0 H SER A 27 53.576 -19.220 -3.184 1.00 1.00 H new ATOM 0 HA SER A 27 53.262 -19.289 -5.392 1.00 1.00 H new ATOM 0 HB2 SER A 27 51.608 -17.923 -6.361 1.00 1.00 H new ATOM 0 HB3 SER A 27 51.179 -17.885 -4.662 1.00 1.00 H new ATOM 0 HG SER A 27 52.124 -15.857 -4.446 1.00 1.00 H new ATOM 391 N GLY A 28 54.497 -16.214 -5.492 1.00 1.00 N ATOM 392 CA GLY A 28 55.556 -15.401 -6.082 1.00 1.00 C ATOM 393 C GLY A 28 56.210 -14.505 -5.033 1.00 1.00 C ATOM 394 O GLY A 28 57.267 -13.922 -5.278 1.00 1.00 O ATOM 0 H GLY A 28 53.833 -15.694 -4.919 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.308 -16.049 -6.531 1.00 1.00 H new ATOM 0 HA3 GLY A 28 55.144 -14.787 -6.883 1.00 1.00 H new ATOM 398 N ALA A 29 55.573 -14.396 -3.868 1.00 1.00 N ATOM 399 CA ALA A 29 56.095 -13.566 -2.789 1.00 1.00 C ATOM 400 C ALA A 29 55.728 -12.106 -3.027 1.00 1.00 C ATOM 401 O ALA A 29 56.574 -11.217 -2.931 1.00 1.00 O ATOM 402 CB ALA A 29 57.616 -13.715 -2.694 1.00 1.00 C ATOM 0 H ALA A 29 54.697 -14.871 -3.650 1.00 1.00 H new ATOM 0 HA ALA A 29 55.651 -13.894 -1.849 1.00 1.00 H new ATOM 0 HB1 ALA A 29 57.993 -13.090 -1.884 1.00 1.00 H new ATOM 0 HB2 ALA A 29 57.868 -14.757 -2.496 1.00 1.00 H new ATOM 0 HB3 ALA A 29 58.071 -13.404 -3.634 1.00 1.00 H new ATOM 408 N LEU A 30 54.454 -11.871 -3.336 1.00 1.00 N ATOM 409 CA LEU A 30 53.972 -10.519 -3.587 1.00 1.00 C ATOM 410 C LEU A 30 52.727 -10.232 -2.752 1.00 1.00 C ATOM 411 O LEU A 30 52.452 -9.083 -2.406 1.00 1.00 O ATOM 412 CB LEU A 30 53.643 -10.329 -5.074 1.00 1.00 C ATOM 413 CG LEU A 30 54.100 -11.550 -5.881 1.00 1.00 C ATOM 414 CD1 LEU A 30 53.184 -12.742 -5.585 1.00 1.00 C ATOM 415 CD2 LEU A 30 54.029 -11.221 -7.375 1.00 1.00 C ATOM 0 H LEU A 30 53.742 -12.597 -3.418 1.00 1.00 H new ATOM 0 HA LEU A 30 54.762 -9.823 -3.305 1.00 1.00 H new ATOM 0 HB2 LEU A 30 52.570 -10.182 -5.200 1.00 1.00 H new ATOM 0 HB3 LEU A 30 54.134 -9.432 -5.450 1.00 1.00 H new ATOM 0 HG LEU A 30 55.123 -11.803 -5.603 1.00 1.00 H new ATOM 0 HD11 LEU A 30 53.514 -13.606 -6.161 1.00 1.00 H new ATOM 0 HD12 LEU A 30 53.226 -12.978 -4.522 1.00 1.00 H new ATOM 0 HD13 LEU A 30 52.160 -12.491 -5.861 1.00 1.00 H new ATOM 0 HD21 LEU A 30 54.353 -12.086 -7.954 1.00 1.00 H new ATOM 0 HD22 LEU A 30 53.003 -10.968 -7.644 1.00 1.00 H new ATOM 0 HD23 LEU A 30 54.680 -10.374 -7.592 1.00 1.00 H new ATOM 427 N ILE A 31 51.980 -11.283 -2.432 1.00 1.00 N ATOM 428 CA ILE A 31 50.767 -11.133 -1.638 1.00 1.00 C ATOM 429 C ILE A 31 51.099 -11.016 -0.145 1.00 1.00 C ATOM 430 O ILE A 31 50.468 -10.236 0.569 1.00 1.00 O ATOM 431 CB ILE A 31 49.819 -12.318 -1.902 1.00 1.00 C ATOM 432 CG1 ILE A 31 48.731 -11.876 -2.884 1.00 1.00 C ATOM 433 CG2 ILE A 31 49.153 -12.795 -0.604 1.00 1.00 C ATOM 434 CD1 ILE A 31 49.379 -11.317 -4.151 1.00 1.00 C ATOM 0 H ILE A 31 52.191 -12.242 -2.708 1.00 1.00 H new ATOM 0 HA ILE A 31 50.266 -10.212 -1.936 1.00 1.00 H new ATOM 0 HB ILE A 31 50.402 -13.141 -2.316 1.00 1.00 H new ATOM 0 HG12 ILE A 31 48.088 -12.720 -3.134 1.00 1.00 H new ATOM 0 HG13 ILE A 31 48.097 -11.118 -2.423 1.00 1.00 H new ATOM 0 HG21 ILE A 31 48.490 -13.632 -0.822 1.00 1.00 H new ATOM 0 HG22 ILE A 31 49.919 -13.114 0.102 1.00 1.00 H new ATOM 0 HG23 ILE A 31 48.576 -11.978 -0.170 1.00 1.00 H new ATOM 0 HD11 ILE A 31 48.603 -11.003 -4.849 1.00 1.00 H new ATOM 0 HD12 ILE A 31 50.003 -10.461 -3.893 1.00 1.00 H new ATOM 0 HD13 ILE A 31 49.994 -12.088 -4.616 1.00 1.00 H new ATOM 446 N PRO A 32 52.062 -11.763 0.344 1.00 1.00 N ATOM 447 CA PRO A 32 52.451 -11.721 1.776 1.00 1.00 C ATOM 448 C PRO A 32 53.483 -10.633 2.061 1.00 1.00 C ATOM 449 O PRO A 32 54.249 -10.728 3.019 1.00 1.00 O ATOM 450 CB PRO A 32 53.036 -13.111 2.016 1.00 1.00 C ATOM 451 CG PRO A 32 53.577 -13.559 0.693 1.00 1.00 C ATOM 452 CD PRO A 32 52.886 -12.728 -0.399 1.00 1.00 C ATOM 0 HA PRO A 32 51.612 -11.483 2.430 1.00 1.00 H new ATOM 0 HB2 PRO A 32 53.823 -13.080 2.770 1.00 1.00 H new ATOM 0 HB3 PRO A 32 52.273 -13.799 2.380 1.00 1.00 H new ATOM 0 HG2 PRO A 32 54.657 -13.419 0.654 1.00 1.00 H new ATOM 0 HG3 PRO A 32 53.388 -14.622 0.542 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.614 -12.223 -1.035 1.00 1.00 H new ATOM 0 HD3 PRO A 32 52.275 -13.355 -1.049 1.00 1.00 H new ATOM 460 N ALA A 33 53.494 -9.603 1.218 1.00 1.00 N ATOM 461 CA ALA A 33 54.432 -8.497 1.381 1.00 1.00 C ATOM 462 C ALA A 33 53.688 -7.165 1.413 1.00 1.00 C ATOM 463 O ALA A 33 54.298 -6.105 1.558 1.00 1.00 O ATOM 464 CB ALA A 33 55.438 -8.491 0.228 1.00 1.00 C ATOM 0 H ALA A 33 52.867 -9.512 0.419 1.00 1.00 H new ATOM 0 HA ALA A 33 54.961 -8.630 2.325 1.00 1.00 H new ATOM 0 HB1 ALA A 33 56.134 -7.663 0.357 1.00 1.00 H new ATOM 0 HB2 ALA A 33 55.990 -9.431 0.221 1.00 1.00 H new ATOM 0 HB3 ALA A 33 54.908 -8.375 -0.717 1.00 1.00 H new ATOM 470 N ILE A 34 52.368 -7.229 1.278 1.00 1.00 N ATOM 471 CA ILE A 34 51.548 -6.022 1.295 1.00 1.00 C ATOM 472 C ILE A 34 50.243 -6.271 2.042 1.00 1.00 C ATOM 473 O ILE A 34 49.821 -5.458 2.864 1.00 1.00 O ATOM 474 CB ILE A 34 51.242 -5.578 -0.136 1.00 1.00 C ATOM 475 CG1 ILE A 34 51.828 -6.593 -1.121 1.00 1.00 C ATOM 476 CG2 ILE A 34 51.863 -4.203 -0.390 1.00 1.00 C ATOM 477 CD1 ILE A 34 51.461 -6.191 -2.549 1.00 1.00 C ATOM 0 H ILE A 34 51.845 -8.097 1.156 1.00 1.00 H new ATOM 0 HA ILE A 34 52.103 -5.236 1.808 1.00 1.00 H new ATOM 0 HB ILE A 34 50.162 -5.518 -0.274 1.00 1.00 H new ATOM 0 HG12 ILE A 34 52.912 -6.637 -1.012 1.00 1.00 H new ATOM 0 HG13 ILE A 34 51.445 -7.590 -0.903 1.00 1.00 H new ATOM 0 HG21 ILE A 34 51.644 -3.888 -1.410 1.00 1.00 H new ATOM 0 HG22 ILE A 34 51.445 -3.480 0.311 1.00 1.00 H new ATOM 0 HG23 ILE A 34 52.943 -4.260 -0.252 1.00 1.00 H new ATOM 0 HD11 ILE A 34 51.879 -6.914 -3.249 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.376 -6.169 -2.654 1.00 1.00 H new ATOM 0 HD13 ILE A 34 51.866 -5.202 -2.764 1.00 1.00 H new ATOM 489 N TYR A 35 49.606 -7.402 1.751 1.00 1.00 N ATOM 490 CA TYR A 35 48.348 -7.748 2.402 1.00 1.00 C ATOM 491 C TYR A 35 48.600 -8.266 3.815 1.00 1.00 C ATOM 492 O TYR A 35 47.813 -9.049 4.348 1.00 1.00 O ATOM 493 CB TYR A 35 47.615 -8.816 1.588 1.00 1.00 C ATOM 494 CG TYR A 35 46.989 -8.181 0.370 1.00 1.00 C ATOM 495 CD1 TYR A 35 45.698 -7.645 0.447 1.00 1.00 C ATOM 496 CD2 TYR A 35 47.699 -8.127 -0.834 1.00 1.00 C ATOM 497 CE1 TYR A 35 45.116 -7.055 -0.683 1.00 1.00 C ATOM 498 CE2 TYR A 35 47.117 -7.537 -1.964 1.00 1.00 C ATOM 499 CZ TYR A 35 45.827 -7.002 -1.888 1.00 1.00 C ATOM 500 OH TYR A 35 45.254 -6.421 -3.001 1.00 1.00 O ATOM 0 H TYR A 35 49.938 -8.089 1.074 1.00 1.00 H new ATOM 0 HA TYR A 35 47.732 -6.850 2.461 1.00 1.00 H new ATOM 0 HB2 TYR A 35 48.311 -9.599 1.286 1.00 1.00 H new ATOM 0 HB3 TYR A 35 46.847 -9.290 2.199 1.00 1.00 H new ATOM 0 HD1 TYR A 35 45.151 -7.686 1.377 1.00 1.00 H new ATOM 0 HD2 TYR A 35 48.695 -8.540 -0.893 1.00 1.00 H new ATOM 0 HE1 TYR A 35 44.120 -6.642 -0.624 1.00 1.00 H new ATOM 0 HE2 TYR A 35 47.665 -7.495 -2.894 1.00 1.00 H new ATOM 0 HH TYR A 35 45.881 -6.466 -3.753 1.00 1.00 H new ATOM 510 N MET A 36 49.701 -7.822 4.414 1.00 1.00 N ATOM 511 CA MET A 36 50.048 -8.247 5.767 1.00 1.00 C ATOM 512 C MET A 36 50.505 -7.055 6.601 1.00 1.00 C ATOM 513 O MET A 36 50.007 -6.830 7.704 1.00 1.00 O ATOM 514 CB MET A 36 51.162 -9.295 5.716 1.00 1.00 C ATOM 515 CG MET A 36 50.747 -10.440 4.790 1.00 1.00 C ATOM 516 SD MET A 36 49.288 -11.268 5.471 1.00 1.00 S ATOM 517 CE MET A 36 48.675 -11.963 3.917 1.00 1.00 C ATOM 0 H MET A 36 50.364 -7.174 3.989 1.00 1.00 H new ATOM 0 HA MET A 36 49.162 -8.682 6.230 1.00 1.00 H new ATOM 0 HB2 MET A 36 52.086 -8.841 5.358 1.00 1.00 H new ATOM 0 HB3 MET A 36 51.362 -9.677 6.717 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.528 -10.055 3.794 1.00 1.00 H new ATOM 0 HG3 MET A 36 51.566 -11.151 4.684 1.00 1.00 H new ATOM 0 HE1 MET A 36 47.713 -11.512 3.671 1.00 1.00 H new ATOM 0 HE2 MET A 36 49.388 -11.755 3.119 1.00 1.00 H new ATOM 0 HE3 MET A 36 48.554 -13.041 4.023 1.00 1.00 H new ATOM 527 N LEU A 37 51.457 -6.296 6.067 1.00 1.00 N ATOM 528 CA LEU A 37 51.975 -5.129 6.773 1.00 1.00 C ATOM 529 C LEU A 37 50.856 -4.132 7.053 1.00 1.00 C ATOM 530 O LEU A 37 51.077 -3.096 7.681 1.00 1.00 O ATOM 531 CB LEU A 37 53.065 -4.455 5.937 1.00 1.00 C ATOM 532 CG LEU A 37 54.333 -5.310 5.966 1.00 1.00 C ATOM 533 CD1 LEU A 37 55.090 -5.146 4.647 1.00 1.00 C ATOM 534 CD2 LEU A 37 55.225 -4.857 7.124 1.00 1.00 C ATOM 0 H LEU A 37 51.882 -6.466 5.156 1.00 1.00 H new ATOM 0 HA LEU A 37 52.397 -5.459 7.722 1.00 1.00 H new ATOM 0 HB2 LEU A 37 52.723 -4.327 4.910 1.00 1.00 H new ATOM 0 HB3 LEU A 37 53.276 -3.460 6.329 1.00 1.00 H new ATOM 0 HG LEU A 37 54.062 -6.357 6.102 1.00 1.00 H new ATOM 0 HD11 LEU A 37 55.994 -5.755 4.668 1.00 1.00 H new ATOM 0 HD12 LEU A 37 54.455 -5.466 3.821 1.00 1.00 H new ATOM 0 HD13 LEU A 37 55.361 -4.099 4.511 1.00 1.00 H new ATOM 0 HD21 LEU A 37 56.129 -5.465 7.146 1.00 1.00 H new ATOM 0 HD22 LEU A 37 55.495 -3.810 6.987 1.00 1.00 H new ATOM 0 HD23 LEU A 37 54.687 -4.973 8.065 1.00 1.00 H new ATOM 546 N VAL A 38 49.654 -4.450 6.582 1.00 1.00 N ATOM 547 CA VAL A 38 48.507 -3.573 6.787 1.00 1.00 C ATOM 548 C VAL A 38 47.255 -4.391 7.094 1.00 1.00 C ATOM 549 O VAL A 38 46.661 -4.255 8.164 1.00 1.00 O ATOM 550 CB VAL A 38 48.269 -2.722 5.539 1.00 1.00 C ATOM 551 CG1 VAL A 38 47.655 -1.381 5.945 1.00 1.00 C ATOM 552 CG2 VAL A 38 49.603 -2.477 4.828 1.00 1.00 C ATOM 0 H VAL A 38 49.450 -5.302 6.060 1.00 1.00 H new ATOM 0 HA VAL A 38 48.719 -2.922 7.635 1.00 1.00 H new ATOM 0 HB VAL A 38 47.588 -3.245 4.867 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.485 -0.774 5.055 1.00 1.00 H new ATOM 0 HG12 VAL A 38 46.706 -1.554 6.453 1.00 1.00 H new ATOM 0 HG13 VAL A 38 48.336 -0.858 6.617 1.00 1.00 H new ATOM 0 HG21 VAL A 38 49.435 -1.870 3.938 1.00 1.00 H new ATOM 0 HG22 VAL A 38 50.283 -1.954 5.500 1.00 1.00 H new ATOM 0 HG23 VAL A 38 50.042 -3.432 4.539 1.00 1.00 H new ATOM 562 N PHE A 39 46.862 -5.237 6.149 1.00 1.00 N ATOM 563 CA PHE A 39 45.680 -6.072 6.328 1.00 1.00 C ATOM 564 C PHE A 39 45.658 -6.680 7.727 1.00 1.00 C ATOM 565 O PHE A 39 44.766 -6.393 8.525 1.00 1.00 O ATOM 566 CB PHE A 39 45.667 -7.190 5.283 1.00 1.00 C ATOM 567 CG PHE A 39 44.296 -7.278 4.656 1.00 1.00 C ATOM 568 CD1 PHE A 39 43.296 -8.045 5.263 1.00 1.00 C ATOM 569 CD2 PHE A 39 44.026 -6.591 3.466 1.00 1.00 C ATOM 570 CE1 PHE A 39 42.026 -8.127 4.682 1.00 1.00 C ATOM 571 CE2 PHE A 39 42.756 -6.672 2.884 1.00 1.00 C ATOM 572 CZ PHE A 39 41.755 -7.441 3.491 1.00 1.00 C ATOM 0 H PHE A 39 47.340 -5.363 5.257 1.00 1.00 H new ATOM 0 HA PHE A 39 44.796 -5.447 6.203 1.00 1.00 H new ATOM 0 HB2 PHE A 39 46.417 -6.995 4.517 1.00 1.00 H new ATOM 0 HB3 PHE A 39 45.927 -8.141 5.749 1.00 1.00 H new ATOM 0 HD1 PHE A 39 43.505 -8.574 6.181 1.00 1.00 H new ATOM 0 HD2 PHE A 39 44.798 -5.999 2.997 1.00 1.00 H new ATOM 0 HE1 PHE A 39 41.255 -8.719 5.152 1.00 1.00 H new ATOM 0 HE2 PHE A 39 42.548 -6.141 1.967 1.00 1.00 H new ATOM 0 HZ PHE A 39 40.775 -7.505 3.041 1.00 1.00 H new ATOM 582 N LEU A 40 46.644 -7.522 8.016 1.00 1.00 N ATOM 583 CA LEU A 40 46.727 -8.167 9.322 1.00 1.00 C ATOM 584 C LEU A 40 47.755 -7.464 10.202 1.00 1.00 C ATOM 585 O LEU A 40 48.767 -8.053 10.582 1.00 1.00 O ATOM 586 CB LEU A 40 47.114 -9.637 9.155 1.00 1.00 C ATOM 587 CG LEU A 40 45.902 -10.432 8.666 1.00 1.00 C ATOM 588 CD1 LEU A 40 46.354 -11.476 7.645 1.00 1.00 C ATOM 589 CD2 LEU A 40 45.242 -11.134 9.855 1.00 1.00 C ATOM 0 H LEU A 40 47.392 -7.773 7.369 1.00 1.00 H new ATOM 0 HA LEU A 40 45.750 -8.102 9.802 1.00 1.00 H new ATOM 0 HB2 LEU A 40 47.934 -9.729 8.443 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.468 -10.041 10.103 1.00 1.00 H new ATOM 0 HG LEU A 40 45.187 -9.755 8.199 1.00 1.00 H new ATOM 0 HD11 LEU A 40 45.490 -12.042 7.297 1.00 1.00 H new ATOM 0 HD12 LEU A 40 46.826 -10.977 6.799 1.00 1.00 H new ATOM 0 HD13 LEU A 40 47.069 -12.154 8.111 1.00 1.00 H new ATOM 0 HD21 LEU A 40 44.378 -11.701 9.509 1.00 1.00 H new ATOM 0 HD22 LEU A 40 45.958 -11.811 10.321 1.00 1.00 H new ATOM 0 HD23 LEU A 40 44.919 -10.390 10.583 1.00 1.00 H new ATOM 601 N LEU A 41 47.489 -6.203 10.523 1.00 1.00 N ATOM 602 CA LEU A 41 48.399 -5.429 11.360 1.00 1.00 C ATOM 603 C LEU A 41 47.694 -4.189 11.902 1.00 1.00 C ATOM 604 O LEU A 41 47.490 -4.056 13.108 1.00 1.00 O ATOM 605 CB LEU A 41 49.631 -5.018 10.543 1.00 1.00 C ATOM 606 CG LEU A 41 50.480 -4.005 11.326 1.00 1.00 C ATOM 607 CD1 LEU A 41 50.737 -4.523 12.743 1.00 1.00 C ATOM 608 CD2 LEU A 41 51.818 -3.811 10.611 1.00 1.00 C ATOM 0 H LEU A 41 46.657 -5.697 10.219 1.00 1.00 H new ATOM 0 HA LEU A 41 48.716 -6.045 12.201 1.00 1.00 H new ATOM 0 HB2 LEU A 41 50.229 -5.898 10.308 1.00 1.00 H new ATOM 0 HB3 LEU A 41 49.317 -4.583 9.594 1.00 1.00 H new ATOM 0 HG LEU A 41 49.946 -3.056 11.382 1.00 1.00 H new ATOM 0 HD11 LEU A 41 51.340 -3.799 13.291 1.00 1.00 H new ATOM 0 HD12 LEU A 41 49.786 -4.666 13.256 1.00 1.00 H new ATOM 0 HD13 LEU A 41 51.269 -5.473 12.692 1.00 1.00 H new ATOM 0 HD21 LEU A 41 52.425 -3.093 11.163 1.00 1.00 H new ATOM 0 HD22 LEU A 41 52.344 -4.764 10.557 1.00 1.00 H new ATOM 0 HD23 LEU A 41 51.641 -3.437 9.603 1.00 1.00 H new ATOM 620 N GLY A 42 47.327 -3.281 11.002 1.00 1.00 N ATOM 621 CA GLY A 42 46.648 -2.055 11.402 1.00 1.00 C ATOM 622 C GLY A 42 45.522 -2.352 12.386 1.00 1.00 C ATOM 623 O GLY A 42 45.118 -1.486 13.161 1.00 1.00 O ATOM 0 H GLY A 42 47.487 -3.371 9.999 1.00 1.00 H new ATOM 0 HA2 GLY A 42 47.363 -1.371 11.858 1.00 1.00 H new ATOM 0 HA3 GLY A 42 46.244 -1.554 10.522 1.00 1.00 H new ATOM 627 N THR A 43 45.020 -3.582 12.349 1.00 1.00 N ATOM 628 CA THR A 43 43.941 -3.985 13.244 1.00 1.00 C ATOM 629 C THR A 43 44.219 -5.361 13.835 1.00 1.00 C ATOM 630 O THR A 43 44.948 -5.481 14.814 1.00 1.00 O ATOM 631 CB THR A 43 42.612 -4.012 12.483 1.00 1.00 C ATOM 632 OG1 THR A 43 41.662 -4.768 13.222 1.00 1.00 O ATOM 633 CG2 THR A 43 42.820 -4.652 11.110 1.00 1.00 C ATOM 0 H THR A 43 45.340 -4.313 11.714 1.00 1.00 H new ATOM 0 HA THR A 43 43.880 -3.260 14.056 1.00 1.00 H new ATOM 0 HB THR A 43 42.246 -2.994 12.353 1.00 1.00 H new ATOM 0 HG1 THR A 43 40.810 -4.785 12.738 1.00 1.00 H new ATOM 0 HG21 THR A 43 41.873 -4.670 10.570 1.00 1.00 H new ATOM 0 HG22 THR A 43 43.549 -4.072 10.545 1.00 1.00 H new ATOM 0 HG23 THR A 43 43.186 -5.671 11.235 1.00 1.00 H new ATOM 641 N THR A 44 43.633 -6.390 13.228 1.00 1.00 N ATOM 642 CA THR A 44 43.815 -7.765 13.693 1.00 1.00 C ATOM 643 C THR A 44 43.906 -7.833 15.218 1.00 1.00 C ATOM 644 O THR A 44 44.590 -8.694 15.769 1.00 1.00 O ATOM 645 CB THR A 44 45.071 -8.384 13.064 1.00 1.00 C ATOM 646 OG1 THR A 44 45.254 -9.696 13.578 1.00 1.00 O ATOM 647 CG2 THR A 44 46.305 -7.536 13.386 1.00 1.00 C ATOM 0 H THR A 44 43.027 -6.299 12.412 1.00 1.00 H new ATOM 0 HA THR A 44 42.941 -8.336 13.380 1.00 1.00 H new ATOM 0 HB THR A 44 44.943 -8.421 11.982 1.00 1.00 H new ATOM 0 HG1 THR A 44 45.378 -9.653 14.549 1.00 1.00 H new ATOM 0 HG21 THR A 44 47.186 -7.989 12.932 1.00 1.00 H new ATOM 0 HG22 THR A 44 46.169 -6.530 12.989 1.00 1.00 H new ATOM 0 HG23 THR A 44 46.439 -7.484 14.466 1.00 1.00 H new ATOM 655 N GLY A 45 43.201 -6.929 15.892 1.00 1.00 N ATOM 656 CA GLY A 45 43.200 -6.905 17.353 1.00 1.00 C ATOM 657 C GLY A 45 44.475 -6.275 17.906 1.00 1.00 C ATOM 658 O GLY A 45 44.543 -5.926 19.084 1.00 1.00 O ATOM 0 H GLY A 45 42.627 -6.208 15.455 1.00 1.00 H new ATOM 0 HA2 GLY A 45 42.334 -6.346 17.708 1.00 1.00 H new ATOM 0 HA3 GLY A 45 43.101 -7.921 17.734 1.00 1.00 H new ATOM 662 N ASN A 46 45.481 -6.131 17.053 1.00 1.00 N ATOM 663 CA ASN A 46 46.746 -5.540 17.473 1.00 1.00 C ATOM 664 C ASN A 46 46.533 -4.111 17.961 1.00 1.00 C ATOM 665 O ASN A 46 47.464 -3.460 18.435 1.00 1.00 O ATOM 666 CB ASN A 46 47.736 -5.539 16.307 1.00 1.00 C ATOM 667 CG ASN A 46 48.337 -6.931 16.132 1.00 1.00 C ATOM 668 OD1 ASN A 46 47.670 -7.976 16.539 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 49.445 -7.069 15.612 1.00 1.00 N flip ATOM 0 H ASN A 46 45.447 -6.413 16.073 1.00 1.00 H new ATOM 0 HA ASN A 46 47.149 -6.136 18.291 1.00 1.00 H new ATOM 0 HB2 ASN A 46 47.231 -5.234 15.390 1.00 1.00 H new ATOM 0 HB3 ASN A 46 48.527 -4.813 16.492 1.00 1.00 H new ATOM 0 HD21 ASN A 46 49.965 -6.251 15.294 1.00 1.00 H new ATOM 0 HD22 ASN A 46 49.843 -8.001 15.499 1.00 1.00 H new ATOM 676 N GLY A 47 45.300 -3.629 17.841 1.00 1.00 N ATOM 677 CA GLY A 47 44.974 -2.275 18.273 1.00 1.00 C ATOM 678 C GLY A 47 44.490 -2.265 19.718 1.00 1.00 C ATOM 679 O GLY A 47 44.429 -1.214 20.355 1.00 1.00 O ATOM 0 H GLY A 47 44.516 -4.152 17.451 1.00 1.00 H new ATOM 0 HA2 GLY A 47 45.852 -1.637 18.175 1.00 1.00 H new ATOM 0 HA3 GLY A 47 44.203 -1.858 17.625 1.00 1.00 H new ATOM 683 N LEU A 48 44.146 -3.443 20.230 1.00 1.00 N ATOM 684 CA LEU A 48 43.668 -3.556 21.603 1.00 1.00 C ATOM 685 C LEU A 48 44.101 -4.886 22.213 1.00 1.00 C ATOM 686 O LEU A 48 43.448 -5.407 23.116 1.00 1.00 O ATOM 687 CB LEU A 48 42.142 -3.452 21.634 1.00 1.00 C ATOM 688 CG LEU A 48 41.540 -4.485 20.681 1.00 1.00 C ATOM 689 CD1 LEU A 48 40.653 -5.451 21.469 1.00 1.00 C ATOM 690 CD2 LEU A 48 40.697 -3.770 19.623 1.00 1.00 C ATOM 0 H LEU A 48 44.189 -4.325 19.720 1.00 1.00 H new ATOM 0 HA LEU A 48 44.100 -2.743 22.187 1.00 1.00 H new ATOM 0 HB2 LEU A 48 41.776 -3.620 22.647 1.00 1.00 H new ATOM 0 HB3 LEU A 48 41.829 -2.449 21.344 1.00 1.00 H new ATOM 0 HG LEU A 48 42.341 -5.041 20.195 1.00 1.00 H new ATOM 0 HD11 LEU A 48 40.224 -6.187 20.790 1.00 1.00 H new ATOM 0 HD12 LEU A 48 41.251 -5.960 22.225 1.00 1.00 H new ATOM 0 HD13 LEU A 48 39.851 -4.895 21.955 1.00 1.00 H new ATOM 0 HD21 LEU A 48 40.267 -4.505 18.943 1.00 1.00 H new ATOM 0 HD22 LEU A 48 39.896 -3.215 20.111 1.00 1.00 H new ATOM 0 HD23 LEU A 48 41.327 -3.080 19.061 1.00 1.00 H new ATOM 702 N VAL A 49 45.206 -5.429 21.713 1.00 1.00 N ATOM 703 CA VAL A 49 45.717 -6.697 22.218 1.00 1.00 C ATOM 704 C VAL A 49 47.235 -6.647 22.356 1.00 1.00 C ATOM 705 O VAL A 49 47.804 -7.226 23.283 1.00 1.00 O ATOM 706 CB VAL A 49 45.327 -7.832 21.269 1.00 1.00 C ATOM 707 CG1 VAL A 49 45.930 -9.146 21.769 1.00 1.00 C ATOM 708 CG2 VAL A 49 43.802 -7.956 21.225 1.00 1.00 C ATOM 0 H VAL A 49 45.761 -5.014 20.964 1.00 1.00 H new ATOM 0 HA VAL A 49 45.280 -6.877 23.200 1.00 1.00 H new ATOM 0 HB VAL A 49 45.705 -7.616 20.270 1.00 1.00 H new ATOM 0 HG11 VAL A 49 45.652 -9.954 21.093 1.00 1.00 H new ATOM 0 HG12 VAL A 49 47.016 -9.058 21.803 1.00 1.00 H new ATOM 0 HG13 VAL A 49 45.552 -9.363 22.768 1.00 1.00 H new ATOM 0 HG21 VAL A 49 43.522 -8.764 20.549 1.00 1.00 H new ATOM 0 HG22 VAL A 49 43.426 -8.172 22.225 1.00 1.00 H new ATOM 0 HG23 VAL A 49 43.371 -7.020 20.869 1.00 1.00 H new ATOM 718 N LEU A 50 47.886 -5.951 21.430 1.00 1.00 N ATOM 719 CA LEU A 50 49.339 -5.831 21.458 1.00 1.00 C ATOM 720 C LEU A 50 49.754 -4.506 22.091 1.00 1.00 C ATOM 721 O LEU A 50 50.499 -4.481 23.071 1.00 1.00 O ATOM 722 CB LEU A 50 49.899 -5.918 20.038 1.00 1.00 C ATOM 723 CG LEU A 50 51.413 -6.120 20.096 1.00 1.00 C ATOM 724 CD1 LEU A 50 51.740 -7.599 19.888 1.00 1.00 C ATOM 725 CD2 LEU A 50 52.080 -5.291 18.996 1.00 1.00 C ATOM 0 H LEU A 50 47.434 -5.464 20.656 1.00 1.00 H new ATOM 0 HA LEU A 50 49.741 -6.649 22.056 1.00 1.00 H new ATOM 0 HB2 LEU A 50 49.432 -6.744 19.502 1.00 1.00 H new ATOM 0 HB3 LEU A 50 49.664 -5.007 19.487 1.00 1.00 H new ATOM 0 HG LEU A 50 51.785 -5.800 21.069 1.00 1.00 H new ATOM 0 HD11 LEU A 50 52.820 -7.742 19.929 1.00 1.00 H new ATOM 0 HD12 LEU A 50 51.265 -8.190 20.671 1.00 1.00 H new ATOM 0 HD13 LEU A 50 51.368 -7.920 18.915 1.00 1.00 H new ATOM 0 HD21 LEU A 50 53.160 -5.434 19.037 1.00 1.00 H new ATOM 0 HD22 LEU A 50 51.708 -5.611 18.023 1.00 1.00 H new ATOM 0 HD23 LEU A 50 51.848 -4.236 19.144 1.00 1.00 H new ATOM 737 N TRP A 51 49.266 -3.408 21.525 1.00 1.00 N ATOM 738 CA TRP A 51 49.591 -2.084 22.041 1.00 1.00 C ATOM 739 C TRP A 51 49.281 -2.000 23.533 1.00 1.00 C ATOM 740 O TRP A 51 49.638 -1.027 24.197 1.00 1.00 O ATOM 741 CB TRP A 51 48.790 -1.019 21.292 1.00 1.00 C ATOM 742 CG TRP A 51 47.956 -0.247 22.264 1.00 1.00 C ATOM 743 CD1 TRP A 51 46.781 -0.668 22.784 1.00 1.00 C ATOM 744 CD2 TRP A 51 48.211 1.067 22.840 1.00 1.00 C ATOM 745 NE1 TRP A 51 46.298 0.303 23.642 1.00 1.00 N ATOM 746 CE2 TRP A 51 47.144 1.392 23.711 1.00 1.00 C ATOM 747 CE3 TRP A 51 49.254 1.999 22.692 1.00 1.00 C ATOM 748 CZ2 TRP A 51 47.113 2.599 24.411 1.00 1.00 C ATOM 749 CZ3 TRP A 51 49.226 3.214 23.396 1.00 1.00 C ATOM 750 CH2 TRP A 51 48.158 3.513 24.253 1.00 1.00 C ATOM 0 H TRP A 51 48.648 -3.408 20.714 1.00 1.00 H new ATOM 0 HA TRP A 51 50.656 -1.908 21.891 1.00 1.00 H new ATOM 0 HB2 TRP A 51 49.465 -0.347 20.762 1.00 1.00 H new ATOM 0 HB3 TRP A 51 48.153 -1.488 20.542 1.00 1.00 H new ATOM 0 HD1 TRP A 51 46.298 -1.609 22.565 1.00 1.00 H new ATOM 0 HE1 TRP A 51 45.423 0.224 24.161 1.00 1.00 H new ATOM 0 HE3 TRP A 51 50.081 1.779 22.033 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 46.288 2.825 25.070 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 50.032 3.922 23.276 1.00 1.00 H new ATOM 0 HH2 TRP A 51 48.143 4.449 24.791 1.00 1.00 H new ATOM 761 N THR A 52 48.616 -3.026 24.052 1.00 1.00 N ATOM 762 CA THR A 52 48.263 -3.060 25.466 1.00 1.00 C ATOM 763 C THR A 52 49.207 -3.981 26.233 1.00 1.00 C ATOM 764 O THR A 52 49.389 -3.832 27.441 1.00 1.00 O ATOM 765 CB THR A 52 46.823 -3.549 25.634 1.00 1.00 C ATOM 766 OG1 THR A 52 46.342 -3.171 26.917 1.00 1.00 O ATOM 767 CG2 THR A 52 46.781 -5.072 25.499 1.00 1.00 C ATOM 0 H THR A 52 48.312 -3.841 23.519 1.00 1.00 H new ATOM 0 HA THR A 52 48.353 -2.050 25.867 1.00 1.00 H new ATOM 0 HB THR A 52 46.195 -3.101 24.864 1.00 1.00 H new ATOM 0 HG1 THR A 52 45.419 -3.482 27.025 1.00 1.00 H new ATOM 0 HG21 THR A 52 45.755 -5.420 25.619 1.00 1.00 H new ATOM 0 HG22 THR A 52 47.149 -5.360 24.514 1.00 1.00 H new ATOM 0 HG23 THR A 52 47.409 -5.523 26.267 1.00 1.00 H new ATOM 775 N VAL A 53 49.805 -4.931 25.522 1.00 1.00 N ATOM 776 CA VAL A 53 50.728 -5.871 26.147 1.00 1.00 C ATOM 777 C VAL A 53 51.980 -5.148 26.638 1.00 1.00 C ATOM 778 O VAL A 53 52.588 -5.546 27.631 1.00 1.00 O ATOM 779 CB VAL A 53 51.124 -6.957 25.145 1.00 1.00 C ATOM 780 CG1 VAL A 53 52.336 -7.725 25.677 1.00 1.00 C ATOM 781 CG2 VAL A 53 49.954 -7.923 24.954 1.00 1.00 C ATOM 0 H VAL A 53 49.669 -5.070 24.521 1.00 1.00 H new ATOM 0 HA VAL A 53 50.228 -6.328 27.001 1.00 1.00 H new ATOM 0 HB VAL A 53 51.376 -6.496 24.190 1.00 1.00 H new ATOM 0 HG11 VAL A 53 52.618 -8.499 24.963 1.00 1.00 H new ATOM 0 HG12 VAL A 53 53.170 -7.037 25.816 1.00 1.00 H new ATOM 0 HG13 VAL A 53 52.084 -8.187 26.632 1.00 1.00 H new ATOM 0 HG21 VAL A 53 50.234 -8.698 24.240 1.00 1.00 H new ATOM 0 HG22 VAL A 53 49.703 -8.384 25.909 1.00 1.00 H new ATOM 0 HG23 VAL A 53 49.090 -7.377 24.576 1.00 1.00 H new ATOM 791 N PHE A 54 52.358 -4.085 25.935 1.00 1.00 N ATOM 792 CA PHE A 54 53.539 -3.316 26.309 1.00 1.00 C ATOM 793 C PHE A 54 53.141 -2.066 27.088 1.00 1.00 C ATOM 794 O PHE A 54 53.939 -1.143 27.246 1.00 1.00 O ATOM 795 CB PHE A 54 54.319 -2.915 25.055 1.00 1.00 C ATOM 796 CG PHE A 54 53.938 -1.510 24.651 1.00 1.00 C ATOM 797 CD1 PHE A 54 52.695 -1.267 24.055 1.00 1.00 C ATOM 798 CD2 PHE A 54 54.827 -0.453 24.872 1.00 1.00 C ATOM 799 CE1 PHE A 54 52.341 0.035 23.679 1.00 1.00 C ATOM 800 CE2 PHE A 54 54.475 0.849 24.496 1.00 1.00 C ATOM 801 CZ PHE A 54 53.232 1.093 23.900 1.00 1.00 C ATOM 0 H PHE A 54 51.868 -3.739 25.110 1.00 1.00 H new ATOM 0 HA PHE A 54 54.169 -3.938 26.944 1.00 1.00 H new ATOM 0 HB2 PHE A 54 55.390 -2.971 25.247 1.00 1.00 H new ATOM 0 HB3 PHE A 54 54.104 -3.609 24.243 1.00 1.00 H new ATOM 0 HD1 PHE A 54 52.009 -2.084 23.885 1.00 1.00 H new ATOM 0 HD2 PHE A 54 55.785 -0.641 25.333 1.00 1.00 H new ATOM 0 HE1 PHE A 54 51.382 0.223 23.219 1.00 1.00 H new ATOM 0 HE2 PHE A 54 55.162 1.665 24.666 1.00 1.00 H new ATOM 0 HZ PHE A 54 52.960 2.097 23.611 1.00 1.00 H new ATOM 811 N ARG A 55 51.901 -2.049 27.573 1.00 1.00 N ATOM 812 CA ARG A 55 51.401 -0.910 28.337 1.00 1.00 C ATOM 813 C ARG A 55 50.797 -1.376 29.658 1.00 1.00 C ATOM 814 O ARG A 55 51.104 -0.833 30.718 1.00 1.00 O ATOM 815 CB ARG A 55 50.341 -0.163 27.525 1.00 1.00 C ATOM 816 CG ARG A 55 50.122 1.226 28.126 1.00 1.00 C ATOM 817 CD ARG A 55 48.862 1.851 27.523 1.00 1.00 C ATOM 818 NE ARG A 55 47.780 1.847 28.501 1.00 1.00 N ATOM 819 CZ ARG A 55 46.743 2.669 28.383 1.00 1.00 C ATOM 820 NH1 ARG A 55 46.680 3.500 27.378 1.00 1.00 N ATOM 821 NH2 ARG A 55 45.787 2.647 29.271 1.00 1.00 N ATOM 0 H ARG A 55 51.229 -2.806 27.451 1.00 1.00 H new ATOM 0 HA ARG A 55 52.236 -0.242 28.547 1.00 1.00 H new ATOM 0 HB2 ARG A 55 50.659 -0.075 26.486 1.00 1.00 H new ATOM 0 HB3 ARG A 55 49.406 -0.723 27.526 1.00 1.00 H new ATOM 0 HG2 ARG A 55 50.022 1.154 29.209 1.00 1.00 H new ATOM 0 HG3 ARG A 55 50.986 1.860 27.927 1.00 1.00 H new ATOM 0 HD2 ARG A 55 49.071 2.872 27.205 1.00 1.00 H new ATOM 0 HD3 ARG A 55 48.561 1.296 26.635 1.00 1.00 H new ATOM 0 HE ARG A 55 47.820 1.201 29.290 1.00 1.00 H new ATOM 0 HH11 ARG A 55 47.427 3.518 26.684 1.00 1.00 H new ATOM 0 HH12 ARG A 55 45.884 4.131 27.287 1.00 1.00 H new ATOM 0 HH21 ARG A 55 45.836 1.998 30.057 1.00 1.00 H new ATOM 0 HH22 ARG A 55 44.991 3.279 29.179 1.00 1.00 H new ATOM 835 N LYS A 56 49.934 -2.385 29.586 1.00 1.00 N ATOM 836 CA LYS A 56 49.293 -2.916 30.783 1.00 1.00 C ATOM 837 C LYS A 56 50.340 -3.367 31.797 1.00 1.00 C ATOM 838 O LYS A 56 50.129 -3.271 33.005 1.00 1.00 O ATOM 839 CB LYS A 56 48.395 -4.098 30.415 1.00 1.00 C ATOM 840 CG LYS A 56 49.235 -5.192 29.752 1.00 1.00 C ATOM 841 CD LYS A 56 49.467 -6.331 30.747 1.00 1.00 C ATOM 842 CE LYS A 56 50.315 -7.419 30.087 1.00 1.00 C ATOM 843 NZ LYS A 56 50.991 -8.229 31.140 1.00 1.00 N ATOM 0 H LYS A 56 49.664 -2.848 28.718 1.00 1.00 H new ATOM 0 HA LYS A 56 48.689 -2.126 31.228 1.00 1.00 H new ATOM 0 HB2 LYS A 56 47.908 -4.490 31.308 1.00 1.00 H new ATOM 0 HB3 LYS A 56 47.605 -3.771 29.739 1.00 1.00 H new ATOM 0 HG2 LYS A 56 48.726 -5.568 28.864 1.00 1.00 H new ATOM 0 HG3 LYS A 56 50.190 -4.783 29.423 1.00 1.00 H new ATOM 0 HD2 LYS A 56 49.969 -5.954 31.638 1.00 1.00 H new ATOM 0 HD3 LYS A 56 48.512 -6.745 31.071 1.00 1.00 H new ATOM 0 HE2 LYS A 56 49.687 -8.059 29.468 1.00 1.00 H new ATOM 0 HE3 LYS A 56 51.057 -6.967 29.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 51.568 -8.969 30.692 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 51.602 -7.613 31.713 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 50.275 -8.671 31.751 1.00 1.00 H new ATOM 857 N LYS A 57 51.469 -3.858 31.295 1.00 1.00 N ATOM 858 CA LYS A 57 52.543 -4.320 32.165 1.00 1.00 C ATOM 859 C LYS A 57 53.113 -3.160 32.975 1.00 1.00 C ATOM 860 O LYS A 57 54.060 -3.333 33.743 1.00 1.00 O ATOM 861 CB LYS A 57 53.655 -4.958 31.330 1.00 1.00 C ATOM 862 CG LYS A 57 54.153 -3.952 30.291 1.00 1.00 C ATOM 863 CD LYS A 57 55.598 -3.561 30.608 1.00 1.00 C ATOM 864 CE LYS A 57 56.514 -4.765 30.380 1.00 1.00 C ATOM 865 NZ LYS A 57 57.326 -5.010 31.605 1.00 1.00 N ATOM 0 H LYS A 57 51.662 -3.946 30.297 1.00 1.00 H new ATOM 0 HA LYS A 57 52.135 -5.062 32.852 1.00 1.00 H new ATOM 0 HB2 LYS A 57 54.477 -5.268 31.975 1.00 1.00 H new ATOM 0 HB3 LYS A 57 53.283 -5.855 30.835 1.00 1.00 H new ATOM 0 HG2 LYS A 57 54.093 -4.385 29.293 1.00 1.00 H new ATOM 0 HG3 LYS A 57 53.517 -3.067 30.293 1.00 1.00 H new ATOM 0 HD2 LYS A 57 55.908 -2.730 29.975 1.00 1.00 H new ATOM 0 HD3 LYS A 57 55.676 -3.222 31.641 1.00 1.00 H new ATOM 0 HE2 LYS A 57 55.920 -5.647 30.142 1.00 1.00 H new ATOM 0 HE3 LYS A 57 57.168 -4.582 29.528 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 57.886 -5.877 31.482 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 57.965 -4.205 31.765 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 56.694 -5.119 32.424 1.00 1.00 H new ATOM 879 N GLY A 58 52.530 -1.979 32.798 1.00 1.00 N ATOM 880 CA GLY A 58 52.989 -0.796 33.518 1.00 1.00 C ATOM 881 C GLY A 58 51.823 0.130 33.841 1.00 1.00 C ATOM 882 O GLY A 58 51.528 0.389 35.008 1.00 1.00 O ATOM 0 H GLY A 58 51.745 -1.816 32.168 1.00 1.00 H new ATOM 0 HA2 GLY A 58 53.486 -1.097 34.440 1.00 1.00 H new ATOM 0 HA3 GLY A 58 53.726 -0.263 32.918 1.00 1.00 H new ATOM 886 N HIS A 59 51.162 0.627 32.801 1.00 1.00 N ATOM 887 CA HIS A 59 50.028 1.526 32.987 1.00 1.00 C ATOM 888 C HIS A 59 50.497 2.877 33.517 1.00 1.00 C ATOM 889 O HIS A 59 50.346 3.902 32.853 1.00 1.00 O ATOM 890 CB HIS A 59 49.028 0.909 33.967 1.00 1.00 C ATOM 891 CG HIS A 59 47.631 1.098 33.443 1.00 1.00 C ATOM 892 ND1 HIS A 59 46.677 1.834 34.129 1.00 1.00 N ATOM 893 CD2 HIS A 59 47.011 0.653 32.302 1.00 1.00 C ATOM 894 CE1 HIS A 59 45.546 1.810 33.401 1.00 1.00 C ATOM 895 NE2 HIS A 59 45.694 1.104 32.278 1.00 1.00 N ATOM 0 H HIS A 59 51.389 0.425 31.827 1.00 1.00 H new ATOM 0 HA HIS A 59 49.544 1.676 32.022 1.00 1.00 H new ATOM 0 HB2 HIS A 59 49.238 -0.152 34.098 1.00 1.00 H new ATOM 0 HB3 HIS A 59 49.127 1.377 34.947 1.00 1.00 H new ATOM 0 HD2 HIS A 59 47.474 0.045 31.539 1.00 1.00 H new ATOM 0 HE1 HIS A 59 44.629 2.302 33.690 1.00 1.00 H new ATOM 0 HE2 HIS A 59 44.993 0.932 31.557 1.00 1.00 H new ATOM 903 N HIS A 60 51.067 2.871 34.718 1.00 1.00 N ATOM 904 CA HIS A 60 51.554 4.102 35.328 1.00 1.00 C ATOM 905 C HIS A 60 52.842 3.844 36.103 1.00 1.00 C ATOM 906 O HIS A 60 53.326 4.712 36.829 1.00 1.00 O ATOM 907 CB HIS A 60 50.493 4.672 36.273 1.00 1.00 C ATOM 908 CG HIS A 60 50.869 4.359 37.695 1.00 1.00 C ATOM 909 ND1 HIS A 60 51.427 5.307 38.538 1.00 1.00 N ATOM 910 CD2 HIS A 60 50.773 3.208 38.438 1.00 1.00 C ATOM 911 CE1 HIS A 60 51.644 4.716 39.727 1.00 1.00 C ATOM 912 NE2 HIS A 60 51.263 3.437 39.721 1.00 1.00 N ATOM 0 H HIS A 60 51.202 2.033 35.284 1.00 1.00 H new ATOM 0 HA HIS A 60 51.759 4.821 34.535 1.00 1.00 H new ATOM 0 HB2 HIS A 60 50.410 5.750 36.136 1.00 1.00 H new ATOM 0 HB3 HIS A 60 49.517 4.245 36.041 1.00 1.00 H new ATOM 0 HD2 HIS A 60 50.378 2.268 38.081 1.00 1.00 H new ATOM 0 HE1 HIS A 60 52.074 5.216 40.582 1.00 1.00 H new ATOM 0 HE2 HIS A 60 51.319 2.770 40.491 1.00 1.00 H new ATOM 920 N HIS A 61 53.392 2.644 35.944 1.00 1.00 N ATOM 921 CA HIS A 61 54.624 2.282 36.633 1.00 1.00 C ATOM 922 C HIS A 61 55.138 0.933 36.140 1.00 1.00 C ATOM 923 O HIS A 61 54.496 -0.098 36.342 1.00 1.00 O ATOM 924 CB HIS A 61 54.380 2.216 38.142 1.00 1.00 C ATOM 925 CG HIS A 61 55.497 2.918 38.863 1.00 1.00 C ATOM 926 ND1 HIS A 61 56.309 2.268 39.779 1.00 1.00 N ATOM 927 CD2 HIS A 61 55.951 4.213 38.813 1.00 1.00 C ATOM 928 CE1 HIS A 61 57.200 3.165 40.240 1.00 1.00 C ATOM 929 NE2 HIS A 61 57.026 4.367 39.683 1.00 1.00 N ATOM 0 H HIS A 61 53.007 1.911 35.348 1.00 1.00 H new ATOM 0 HA HIS A 61 55.374 3.044 36.419 1.00 1.00 H new ATOM 0 HB2 HIS A 61 53.426 2.682 38.387 1.00 1.00 H new ATOM 0 HB3 HIS A 61 54.320 1.177 38.466 1.00 1.00 H new ATOM 0 HD1 HIS A 61 56.243 1.288 40.054 1.00 1.00 H new ATOM 0 HD2 HIS A 61 55.537 4.994 38.192 1.00 1.00 H new ATOM 0 HE1 HIS A 61 57.963 2.941 40.971 1.00 1.00 H new ATOM 937 N HIS A 62 56.300 0.948 35.494 1.00 1.00 N ATOM 938 CA HIS A 62 56.890 -0.282 34.977 1.00 1.00 C ATOM 939 C HIS A 62 56.797 -1.398 36.012 1.00 1.00 C ATOM 940 O HIS A 62 56.765 -2.578 35.662 1.00 1.00 O ATOM 941 CB HIS A 62 58.356 -0.043 34.611 1.00 1.00 C ATOM 942 CG HIS A 62 58.942 -1.306 34.041 1.00 1.00 C ATOM 943 ND1 HIS A 62 59.576 -2.250 34.833 1.00 1.00 N ATOM 944 CD2 HIS A 62 58.998 -1.794 32.759 1.00 1.00 C ATOM 945 CE1 HIS A 62 59.982 -3.248 34.029 1.00 1.00 C ATOM 946 NE2 HIS A 62 59.656 -3.020 32.754 1.00 1.00 N ATOM 0 H HIS A 62 56.848 1.790 35.317 1.00 1.00 H new ATOM 0 HA HIS A 62 56.337 -0.582 34.087 1.00 1.00 H new ATOM 0 HB2 HIS A 62 58.434 0.767 33.885 1.00 1.00 H new ATOM 0 HB3 HIS A 62 58.917 0.265 35.493 1.00 1.00 H new ATOM 0 HD2 HIS A 62 58.593 -1.301 31.887 1.00 1.00 H new ATOM 0 HE1 HIS A 62 60.508 -4.127 34.372 1.00 1.00 H new ATOM 0 HE2 HIS A 62 59.848 -3.617 31.949 1.00 1.00 H new ATOM 954 N HIS A 63 56.754 -1.015 37.285 1.00 1.00 N ATOM 955 CA HIS A 63 56.664 -1.983 38.370 1.00 1.00 C ATOM 956 C HIS A 63 55.372 -1.790 39.148 1.00 1.00 C ATOM 957 O HIS A 63 54.344 -1.410 38.588 1.00 1.00 O ATOM 958 CB HIS A 63 57.858 -1.817 39.313 1.00 1.00 C ATOM 959 CG HIS A 63 58.081 -3.098 40.068 1.00 1.00 C ATOM 960 ND1 HIS A 63 58.219 -3.128 41.448 1.00 1.00 N ATOM 961 CD2 HIS A 63 58.190 -4.402 39.653 1.00 1.00 C ATOM 962 CE1 HIS A 63 58.403 -4.411 41.810 1.00 1.00 C ATOM 963 NE2 HIS A 63 58.393 -5.229 40.754 1.00 1.00 N ATOM 0 H HIS A 63 56.780 -0.042 37.589 1.00 1.00 H new ATOM 0 HA HIS A 63 56.673 -2.986 37.943 1.00 1.00 H new ATOM 0 HB2 HIS A 63 58.751 -1.557 38.744 1.00 1.00 H new ATOM 0 HB3 HIS A 63 57.674 -0.999 40.009 1.00 1.00 H new ATOM 0 HD2 HIS A 63 58.128 -4.736 38.628 1.00 1.00 H new ATOM 0 HE1 HIS A 63 58.542 -4.739 42.830 1.00 1.00 H new ATOM 0 HE2 HIS A 63 58.509 -6.242 40.754 1.00 1.00 H new ATOM 971 N HIS A 64 55.441 -2.055 40.441 1.00 1.00 N ATOM 972 CA HIS A 64 54.276 -1.913 41.307 1.00 1.00 C ATOM 973 C HIS A 64 54.073 -0.452 41.698 1.00 1.00 C ATOM 974 O HIS A 64 52.947 -0.090 41.991 1.00 1.00 O ATOM 975 CB HIS A 64 54.458 -2.759 42.569 1.00 1.00 C ATOM 976 CG HIS A 64 54.977 -1.894 43.683 1.00 1.00 C ATOM 977 ND1 HIS A 64 54.132 -1.217 44.549 1.00 1.00 N ATOM 978 CD2 HIS A 64 56.252 -1.585 44.088 1.00 1.00 C ATOM 979 CE1 HIS A 64 54.901 -0.541 45.422 1.00 1.00 C ATOM 980 NE2 HIS A 64 56.202 -0.731 45.185 1.00 1.00 N ATOM 981 OXT HIS A 64 55.048 0.281 41.698 1.00 1.00 O ATOM 0 H HIS A 64 56.287 -2.369 40.916 1.00 1.00 H new ATOM 0 HA HIS A 64 53.397 -2.257 40.761 1.00 1.00 H new ATOM 0 HB2 HIS A 64 53.508 -3.210 42.857 1.00 1.00 H new ATOM 0 HB3 HIS A 64 55.153 -3.576 42.375 1.00 1.00 H new ATOM 0 HD2 HIS A 64 57.157 -1.950 43.625 1.00 1.00 H new ATOM 0 HE1 HIS A 64 54.514 0.079 46.217 1.00 1.00 H new ATOM 0 HE2 HIS A 64 56.990 -0.335 45.698 1.00 1.00 H new TER 989 HIS A 64