USER MOD reduce.3.24.130724 H: found=0, std=0, add=478, rem=0, adj=16 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 44 THR OG1 : rot -61:sc= 1.22 USER MOD Set 1.2: A 46 ASN :FLIP amide:sc= -0.647 F(o=-3.8!,f=0.57) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= -0.719! (180deg=-1.29) USER MOD Single : A 9 ASN :FLIP amide:sc= -1.44 F(o=-2.9!,f=-1.4) 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= -0.294 X(o=-0.29,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -47:sc= -1.54! USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= -1.49 (180deg=-1.69!) USER MOD Single : A 26 SER OG : rot 23:sc= 1.15 USER MOD Single : A 27 SER OG : rot 180:sc= -0.344 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= 0.769 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00377 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0483 K(o=-0.048,f=-0.86) USER MOD Single : A 60 HIS : no HD1:sc= -2.61! C(o=-2.6!,f=-4.2!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= -2.75! C(o=-2.8!,f=-4.6!) USER MOD Single : A 63 HIS : no HD1:sc= -0.222 X(o=-0.22,f=-0.29) USER MOD Single : A 64 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.016 12.705 -17.481 1.00 1.00 N ATOM 2 CA MET A 1 46.545 11.529 -18.227 1.00 1.00 C ATOM 3 C MET A 1 48.067 11.518 -18.141 1.00 1.00 C ATOM 4 O MET A 1 48.701 10.477 -18.316 1.00 1.00 O ATOM 5 CB MET A 1 46.105 11.617 -19.691 1.00 1.00 C ATOM 6 CG MET A 1 46.379 13.025 -20.222 1.00 1.00 C ATOM 7 SD MET A 1 44.854 13.999 -20.166 1.00 1.00 S ATOM 8 CE MET A 1 44.211 13.507 -21.784 1.00 1.00 C ATOM 0 H1 MET A 1 45.210 12.410 -16.893 1.00 1.00 H new ATOM 0 H2 MET A 1 46.764 13.095 -16.872 1.00 1.00 H new ATOM 0 H3 MET A 1 45.704 13.432 -18.156 1.00 1.00 H new ATOM 0 HA MET A 1 46.155 10.610 -17.790 1.00 1.00 H new ATOM 0 HB2 MET A 1 46.643 10.881 -20.288 1.00 1.00 H new ATOM 0 HB3 MET A 1 45.044 11.384 -19.778 1.00 1.00 H new ATOM 0 HG2 MET A 1 47.153 13.506 -19.624 1.00 1.00 H new ATOM 0 HG3 MET A 1 46.753 12.973 -21.245 1.00 1.00 H new ATOM 0 HE1 MET A 1 43.255 14.001 -21.961 1.00 1.00 H new ATOM 0 HE2 MET A 1 44.919 13.797 -22.560 1.00 1.00 H new ATOM 0 HE3 MET A 1 44.071 12.426 -21.807 1.00 1.00 H new ATOM 20 N GLU A 2 48.648 12.682 -17.870 1.00 1.00 N ATOM 21 CA GLU A 2 50.098 12.794 -17.763 1.00 1.00 C ATOM 22 C GLU A 2 50.775 12.174 -18.981 1.00 1.00 C ATOM 23 O GLU A 2 51.416 11.128 -18.882 1.00 1.00 O ATOM 24 CB GLU A 2 50.584 12.092 -16.494 1.00 1.00 C ATOM 25 CG GLU A 2 49.696 12.494 -15.315 1.00 1.00 C ATOM 26 CD GLU A 2 50.194 11.829 -14.036 1.00 1.00 C ATOM 27 OE1 GLU A 2 50.379 10.623 -14.053 1.00 1.00 O ATOM 28 OE2 GLU A 2 50.382 12.535 -13.060 1.00 1.00 O ATOM 0 H GLU A 2 48.142 13.555 -17.721 1.00 1.00 H new ATOM 0 HA GLU A 2 50.359 13.851 -17.716 1.00 1.00 H new ATOM 0 HB2 GLU A 2 50.557 11.011 -16.631 1.00 1.00 H new ATOM 0 HB3 GLU A 2 51.620 12.362 -16.291 1.00 1.00 H new ATOM 0 HG2 GLU A 2 49.702 13.578 -15.197 1.00 1.00 H new ATOM 0 HG3 GLU A 2 48.664 12.200 -15.509 1.00 1.00 H new ATOM 35 N GLU A 3 50.629 12.827 -20.130 1.00 1.00 N ATOM 36 CA GLU A 3 51.231 12.330 -21.361 1.00 1.00 C ATOM 37 C GLU A 3 52.734 12.144 -21.186 1.00 1.00 C ATOM 38 O GLU A 3 53.234 11.019 -21.182 1.00 1.00 O ATOM 39 CB GLU A 3 50.966 13.311 -22.505 1.00 1.00 C ATOM 40 CG GLU A 3 50.221 12.593 -23.632 1.00 1.00 C ATOM 41 CD GLU A 3 50.015 13.542 -24.808 1.00 1.00 C ATOM 42 OE1 GLU A 3 49.629 14.674 -24.570 1.00 1.00 O ATOM 43 OE2 GLU A 3 50.247 13.122 -25.930 1.00 1.00 O ATOM 0 H GLU A 3 50.103 13.695 -20.234 1.00 1.00 H new ATOM 0 HA GLU A 3 50.783 11.365 -21.598 1.00 1.00 H new ATOM 0 HB2 GLU A 3 50.377 14.155 -22.145 1.00 1.00 H new ATOM 0 HB3 GLU A 3 51.908 13.715 -22.877 1.00 1.00 H new ATOM 0 HG2 GLU A 3 50.787 11.719 -23.954 1.00 1.00 H new ATOM 0 HG3 GLU A 3 49.257 12.234 -23.271 1.00 1.00 H new ATOM 50 N GLY A 4 53.450 13.255 -21.041 1.00 1.00 N ATOM 51 CA GLY A 4 54.897 13.202 -20.866 1.00 1.00 C ATOM 52 C GLY A 4 55.531 12.235 -21.860 1.00 1.00 C ATOM 53 O GLY A 4 56.197 11.276 -21.469 1.00 1.00 O ATOM 0 H GLY A 4 53.056 14.196 -21.041 1.00 1.00 H new ATOM 0 HA2 GLY A 4 55.320 14.197 -21.001 1.00 1.00 H new ATOM 0 HA3 GLY A 4 55.133 12.890 -19.849 1.00 1.00 H new ATOM 57 N GLY A 5 55.320 12.494 -23.146 1.00 1.00 N ATOM 58 CA GLY A 5 55.876 11.639 -24.188 1.00 1.00 C ATOM 59 C GLY A 5 57.319 12.025 -24.497 1.00 1.00 C ATOM 60 O GLY A 5 57.579 13.080 -25.077 1.00 1.00 O ATOM 0 H GLY A 5 54.772 13.283 -23.490 1.00 1.00 H new ATOM 0 HA2 GLY A 5 55.834 10.597 -23.870 1.00 1.00 H new ATOM 0 HA3 GLY A 5 55.272 11.721 -25.092 1.00 1.00 H new ATOM 64 N ASP A 6 58.253 11.165 -24.106 1.00 1.00 N ATOM 65 CA ASP A 6 59.667 11.427 -24.346 1.00 1.00 C ATOM 66 C ASP A 6 60.447 10.119 -24.435 1.00 1.00 C ATOM 67 O ASP A 6 60.780 9.656 -25.526 1.00 1.00 O ATOM 68 CB ASP A 6 60.238 12.288 -23.218 1.00 1.00 C ATOM 69 CG ASP A 6 60.437 13.720 -23.705 1.00 1.00 C ATOM 70 OD1 ASP A 6 61.029 13.890 -24.757 1.00 1.00 O ATOM 71 OD2 ASP A 6 59.993 14.625 -23.017 1.00 1.00 O ATOM 0 H ASP A 6 58.059 10.287 -23.625 1.00 1.00 H new ATOM 0 HA ASP A 6 59.763 11.959 -25.293 1.00 1.00 H new ATOM 0 HB2 ASP A 6 59.562 12.276 -22.363 1.00 1.00 H new ATOM 0 HB3 ASP A 6 61.188 11.875 -22.879 1.00 1.00 H new ATOM 76 N PHE A 7 60.734 9.528 -23.279 1.00 1.00 N ATOM 77 CA PHE A 7 61.476 8.273 -23.239 1.00 1.00 C ATOM 78 C PHE A 7 60.886 7.336 -22.189 1.00 1.00 C ATOM 79 O PHE A 7 61.614 6.753 -21.385 1.00 1.00 O ATOM 80 CB PHE A 7 62.946 8.545 -22.915 1.00 1.00 C ATOM 81 CG PHE A 7 63.470 9.629 -23.825 1.00 1.00 C ATOM 82 CD1 PHE A 7 63.766 9.339 -25.162 1.00 1.00 C ATOM 83 CD2 PHE A 7 63.660 10.926 -23.332 1.00 1.00 C ATOM 84 CE1 PHE A 7 64.252 10.344 -26.006 1.00 1.00 C ATOM 85 CE2 PHE A 7 64.145 11.932 -24.176 1.00 1.00 C ATOM 86 CZ PHE A 7 64.442 11.641 -25.513 1.00 1.00 C ATOM 0 H PHE A 7 60.467 9.894 -22.365 1.00 1.00 H new ATOM 0 HA PHE A 7 61.402 7.797 -24.217 1.00 1.00 H new ATOM 0 HB2 PHE A 7 63.050 8.848 -21.873 1.00 1.00 H new ATOM 0 HB3 PHE A 7 63.532 7.635 -23.042 1.00 1.00 H new ATOM 0 HD1 PHE A 7 63.619 8.339 -25.543 1.00 1.00 H new ATOM 0 HD2 PHE A 7 63.432 11.150 -22.300 1.00 1.00 H new ATOM 0 HE1 PHE A 7 64.481 10.119 -27.037 1.00 1.00 H new ATOM 0 HE2 PHE A 7 64.290 12.932 -23.796 1.00 1.00 H new ATOM 0 HZ PHE A 7 64.818 12.417 -26.164 1.00 1.00 H new ATOM 96 N ASP A 8 59.565 7.197 -22.202 1.00 1.00 N ATOM 97 CA ASP A 8 58.888 6.329 -21.246 1.00 1.00 C ATOM 98 C ASP A 8 57.770 5.548 -21.929 1.00 1.00 C ATOM 99 O ASP A 8 56.667 5.430 -21.397 1.00 1.00 O ATOM 100 CB ASP A 8 58.306 7.163 -20.103 1.00 1.00 C ATOM 101 CG ASP A 8 58.075 6.282 -18.880 1.00 1.00 C ATOM 102 OD1 ASP A 8 58.017 5.075 -19.046 1.00 1.00 O ATOM 103 OD2 ASP A 8 57.959 6.828 -17.795 1.00 1.00 O ATOM 0 H ASP A 8 58.945 7.671 -22.859 1.00 1.00 H new ATOM 0 HA ASP A 8 59.616 5.624 -20.846 1.00 1.00 H new ATOM 0 HB2 ASP A 8 58.987 7.976 -19.852 1.00 1.00 H new ATOM 0 HB3 ASP A 8 57.367 7.619 -20.416 1.00 1.00 H new ATOM 108 N ASN A 9 58.063 5.016 -23.112 1.00 1.00 N ATOM 109 CA ASN A 9 57.075 4.248 -23.859 1.00 1.00 C ATOM 110 C ASN A 9 57.761 3.282 -24.820 1.00 1.00 C ATOM 111 O ASN A 9 58.356 3.698 -25.814 1.00 1.00 O ATOM 112 CB ASN A 9 56.166 5.194 -24.647 1.00 1.00 C ATOM 113 CG ASN A 9 55.014 5.665 -23.765 1.00 1.00 C ATOM 114 OD1 ASN A 9 55.195 6.671 -22.954 1.00 1.00 O flip ATOM 115 ND2 ASN A 9 53.921 5.101 -23.816 1.00 1.00 N flip ATOM 0 H ASN A 9 58.970 5.102 -23.571 1.00 1.00 H new ATOM 0 HA ASN A 9 56.477 3.675 -23.151 1.00 1.00 H new ATOM 0 HB2 ASN A 9 56.739 6.052 -25.000 1.00 1.00 H new ATOM 0 HB3 ASN A 9 55.776 4.686 -25.529 1.00 1.00 H new ATOM 0 HD21 ASN A 9 53.782 4.315 -24.451 1.00 1.00 H new ATOM 0 HD22 ASN A 9 53.154 5.420 -23.223 1.00 1.00 H new ATOM 122 N TYR A 10 57.674 1.991 -24.515 1.00 1.00 N ATOM 123 CA TYR A 10 58.290 0.975 -25.359 1.00 1.00 C ATOM 124 C TYR A 10 59.702 1.392 -25.758 1.00 1.00 C ATOM 125 O TYR A 10 60.256 0.890 -26.736 1.00 1.00 O ATOM 126 CB TYR A 10 57.446 0.758 -26.617 1.00 1.00 C ATOM 127 CG TYR A 10 57.746 -0.603 -27.197 1.00 1.00 C ATOM 128 CD1 TYR A 10 57.149 -1.745 -26.649 1.00 1.00 C ATOM 129 CD2 TYR A 10 58.621 -0.724 -28.283 1.00 1.00 C ATOM 130 CE1 TYR A 10 57.427 -3.007 -27.187 1.00 1.00 C ATOM 131 CE2 TYR A 10 58.900 -1.986 -28.820 1.00 1.00 C ATOM 132 CZ TYR A 10 58.302 -3.128 -28.273 1.00 1.00 C ATOM 133 OH TYR A 10 58.577 -4.372 -28.803 1.00 1.00 O ATOM 0 H TYR A 10 57.187 1.626 -23.696 1.00 1.00 H new ATOM 0 HA TYR A 10 58.344 0.045 -24.793 1.00 1.00 H new ATOM 0 HB2 TYR A 10 56.386 0.836 -26.374 1.00 1.00 H new ATOM 0 HB3 TYR A 10 57.663 1.534 -27.351 1.00 1.00 H new ATOM 0 HD1 TYR A 10 56.474 -1.652 -25.811 1.00 1.00 H new ATOM 0 HD2 TYR A 10 59.081 0.157 -28.707 1.00 1.00 H new ATOM 0 HE1 TYR A 10 56.966 -3.888 -26.764 1.00 1.00 H new ATOM 0 HE2 TYR A 10 59.577 -2.079 -29.657 1.00 1.00 H new ATOM 0 HH TYR A 10 59.202 -4.278 -29.552 1.00 1.00 H new ATOM 143 N TYR A 11 60.279 2.314 -24.994 1.00 1.00 N ATOM 144 CA TYR A 11 61.627 2.792 -25.277 1.00 1.00 C ATOM 145 C TYR A 11 62.651 2.041 -24.431 1.00 1.00 C ATOM 146 O TYR A 11 63.238 2.602 -23.506 1.00 1.00 O ATOM 147 CB TYR A 11 61.723 4.291 -24.985 1.00 1.00 C ATOM 148 CG TYR A 11 61.202 5.069 -26.169 1.00 1.00 C ATOM 149 CD1 TYR A 11 61.942 5.116 -27.356 1.00 1.00 C ATOM 150 CD2 TYR A 11 59.978 5.744 -26.081 1.00 1.00 C ATOM 151 CE1 TYR A 11 61.460 5.837 -28.455 1.00 1.00 C ATOM 152 CE2 TYR A 11 59.496 6.466 -27.179 1.00 1.00 C ATOM 153 CZ TYR A 11 60.237 6.512 -28.366 1.00 1.00 C ATOM 154 OH TYR A 11 59.761 7.223 -29.449 1.00 1.00 O ATOM 0 H TYR A 11 59.838 2.742 -24.180 1.00 1.00 H new ATOM 0 HA TYR A 11 61.841 2.613 -26.331 1.00 1.00 H new ATOM 0 HB2 TYR A 11 61.146 4.536 -24.093 1.00 1.00 H new ATOM 0 HB3 TYR A 11 62.758 4.567 -24.782 1.00 1.00 H new ATOM 0 HD1 TYR A 11 62.886 4.596 -27.424 1.00 1.00 H new ATOM 0 HD2 TYR A 11 59.406 5.707 -25.166 1.00 1.00 H new ATOM 0 HE1 TYR A 11 62.031 5.872 -29.371 1.00 1.00 H new ATOM 0 HE2 TYR A 11 58.553 6.987 -27.111 1.00 1.00 H new ATOM 0 HH TYR A 11 58.900 7.630 -29.220 1.00 1.00 H new ATOM 164 N GLY A 12 62.859 0.769 -24.756 1.00 1.00 N ATOM 165 CA GLY A 12 63.814 -0.050 -24.019 1.00 1.00 C ATOM 166 C GLY A 12 63.266 -1.454 -23.790 1.00 1.00 C ATOM 167 O GLY A 12 63.639 -2.398 -24.487 1.00 1.00 O ATOM 0 H GLY A 12 62.383 0.286 -25.518 1.00 1.00 H new ATOM 0 HA2 GLY A 12 64.752 -0.107 -24.571 1.00 1.00 H new ATOM 0 HA3 GLY A 12 64.037 0.418 -23.060 1.00 1.00 H new ATOM 171 N ALA A 13 62.378 -1.585 -22.810 1.00 1.00 N ATOM 172 CA ALA A 13 61.784 -2.880 -22.498 1.00 1.00 C ATOM 173 C ALA A 13 60.654 -2.721 -21.486 1.00 1.00 C ATOM 174 O ALA A 13 59.486 -2.611 -21.858 1.00 1.00 O ATOM 175 CB ALA A 13 62.850 -3.821 -21.933 1.00 1.00 C ATOM 0 H ALA A 13 62.056 -0.816 -22.222 1.00 1.00 H new ATOM 0 HA ALA A 13 61.377 -3.303 -23.416 1.00 1.00 H new ATOM 0 HB1 ALA A 13 62.398 -4.786 -21.703 1.00 1.00 H new ATOM 0 HB2 ALA A 13 63.642 -3.958 -22.669 1.00 1.00 H new ATOM 0 HB3 ALA A 13 63.270 -3.391 -21.024 1.00 1.00 H new ATOM 181 N ASP A 14 61.010 -2.710 -20.206 1.00 1.00 N ATOM 182 CA ASP A 14 60.017 -2.565 -19.148 1.00 1.00 C ATOM 183 C ASP A 14 59.229 -3.859 -18.971 1.00 1.00 C ATOM 184 O ASP A 14 58.152 -3.864 -18.375 1.00 1.00 O ATOM 185 CB ASP A 14 59.057 -1.423 -19.486 1.00 1.00 C ATOM 186 CG ASP A 14 58.591 -0.737 -18.207 1.00 1.00 C ATOM 187 OD1 ASP A 14 58.194 -1.440 -17.292 1.00 1.00 O ATOM 188 OD2 ASP A 14 58.638 0.481 -18.160 1.00 1.00 O ATOM 0 H ASP A 14 61.972 -2.799 -19.878 1.00 1.00 H new ATOM 0 HA ASP A 14 60.536 -2.339 -18.217 1.00 1.00 H new ATOM 0 HB2 ASP A 14 59.552 -0.701 -20.136 1.00 1.00 H new ATOM 0 HB3 ASP A 14 58.198 -1.809 -20.035 1.00 1.00 H new ATOM 193 N ASN A 15 59.774 -4.953 -19.491 1.00 1.00 N ATOM 194 CA ASN A 15 59.113 -6.249 -19.384 1.00 1.00 C ATOM 195 C ASN A 15 57.660 -6.148 -19.837 1.00 1.00 C ATOM 196 O ASN A 15 56.792 -5.717 -19.078 1.00 1.00 O ATOM 197 CB ASN A 15 59.165 -6.744 -17.938 1.00 1.00 C ATOM 198 CG ASN A 15 60.555 -6.507 -17.356 1.00 1.00 C ATOM 199 OD1 ASN A 15 61.426 -7.371 -17.454 1.00 1.00 O ATOM 200 ND2 ASN A 15 60.815 -5.380 -16.751 1.00 1.00 N ATOM 0 H ASN A 15 60.665 -4.970 -19.987 1.00 1.00 H new ATOM 0 HA ASN A 15 59.635 -6.956 -20.029 1.00 1.00 H new ATOM 0 HB2 ASN A 15 58.417 -6.223 -17.339 1.00 1.00 H new ATOM 0 HB3 ASN A 15 58.922 -7.806 -17.899 1.00 1.00 H new ATOM 0 HD21 ASN A 15 61.742 -5.214 -16.358 1.00 1.00 H new ATOM 0 HD22 ASN A 15 60.092 -4.665 -16.671 1.00 1.00 H new ATOM 207 N GLN A 16 57.403 -6.547 -21.078 1.00 1.00 N ATOM 208 CA GLN A 16 56.050 -6.496 -21.622 1.00 1.00 C ATOM 209 C GLN A 16 55.292 -7.778 -21.292 1.00 1.00 C ATOM 210 O GLN A 16 54.088 -7.751 -21.039 1.00 1.00 O ATOM 211 CB GLN A 16 56.103 -6.309 -23.139 1.00 1.00 C ATOM 212 CG GLN A 16 56.836 -7.492 -23.774 1.00 1.00 C ATOM 213 CD GLN A 16 57.716 -7.005 -24.921 1.00 1.00 C ATOM 214 OE1 GLN A 16 57.299 -7.029 -26.079 1.00 1.00 O ATOM 215 NE2 GLN A 16 58.917 -6.561 -24.667 1.00 1.00 N ATOM 0 H GLN A 16 58.107 -6.907 -21.722 1.00 1.00 H new ATOM 0 HA GLN A 16 55.529 -5.652 -21.171 1.00 1.00 H new ATOM 0 HB2 GLN A 16 55.093 -6.234 -23.542 1.00 1.00 H new ATOM 0 HB3 GLN A 16 56.614 -5.378 -23.384 1.00 1.00 H new ATOM 0 HG2 GLN A 16 57.446 -7.997 -23.025 1.00 1.00 H new ATOM 0 HG3 GLN A 16 56.115 -8.222 -24.142 1.00 1.00 H new ATOM 0 HE21 GLN A 16 59.261 -6.542 -23.707 1.00 1.00 H new ATOM 0 HE22 GLN A 16 59.511 -6.233 -25.429 1.00 1.00 H new ATOM 224 N SER A 17 56.006 -8.899 -21.295 1.00 1.00 N ATOM 225 CA SER A 17 55.390 -10.187 -20.995 1.00 1.00 C ATOM 226 C SER A 17 56.430 -11.168 -20.464 1.00 1.00 C ATOM 227 O SER A 17 56.206 -12.378 -20.450 1.00 1.00 O ATOM 228 CB SER A 17 54.740 -10.761 -22.254 1.00 1.00 C ATOM 229 OG SER A 17 53.436 -11.230 -21.937 1.00 1.00 O ATOM 0 H SER A 17 57.004 -8.942 -21.500 1.00 1.00 H new ATOM 0 HA SER A 17 54.628 -10.035 -20.231 1.00 1.00 H new ATOM 0 HB2 SER A 17 54.686 -9.997 -23.030 1.00 1.00 H new ATOM 0 HB3 SER A 17 55.346 -11.576 -22.651 1.00 1.00 H new ATOM 0 HG SER A 17 53.016 -11.597 -22.742 1.00 1.00 H new ATOM 235 N GLU A 18 57.568 -10.637 -20.028 1.00 1.00 N ATOM 236 CA GLU A 18 58.636 -11.476 -19.497 1.00 1.00 C ATOM 237 C GLU A 18 58.074 -12.512 -18.530 1.00 1.00 C ATOM 238 O GLU A 18 58.174 -13.716 -18.767 1.00 1.00 O ATOM 239 CB GLU A 18 59.671 -10.611 -18.776 1.00 1.00 C ATOM 240 CG GLU A 18 61.051 -11.260 -18.894 1.00 1.00 C ATOM 241 CD GLU A 18 61.712 -10.845 -20.204 1.00 1.00 C ATOM 242 OE1 GLU A 18 61.435 -11.477 -21.211 1.00 1.00 O ATOM 243 OE2 GLU A 18 62.487 -9.903 -20.182 1.00 1.00 O ATOM 0 H GLU A 18 57.773 -9.638 -20.032 1.00 1.00 H new ATOM 0 HA GLU A 18 59.112 -11.994 -20.329 1.00 1.00 H new ATOM 0 HB2 GLU A 18 59.690 -9.611 -19.209 1.00 1.00 H new ATOM 0 HB3 GLU A 18 59.399 -10.499 -17.726 1.00 1.00 H new ATOM 0 HG2 GLU A 18 61.675 -10.962 -18.052 1.00 1.00 H new ATOM 0 HG3 GLU A 18 60.956 -12.345 -18.853 1.00 1.00 H new ATOM 250 N CYS A 19 57.482 -12.036 -17.439 1.00 1.00 N ATOM 251 CA CYS A 19 56.906 -12.931 -16.442 1.00 1.00 C ATOM 252 C CYS A 19 57.907 -14.016 -16.055 1.00 1.00 C ATOM 253 O CYS A 19 57.526 -15.076 -15.558 1.00 1.00 O ATOM 254 CB CYS A 19 55.635 -13.579 -16.993 1.00 1.00 C ATOM 255 SG CYS A 19 56.061 -15.125 -17.832 1.00 1.00 S ATOM 0 H CYS A 19 57.389 -11.043 -17.224 1.00 1.00 H new ATOM 0 HA CYS A 19 56.659 -12.347 -15.556 1.00 1.00 H new ATOM 0 HB2 CYS A 19 54.933 -13.774 -16.183 1.00 1.00 H new ATOM 0 HB3 CYS A 19 55.140 -12.900 -17.687 1.00 1.00 H new ATOM 0 HG CYS A 19 57.079 -14.927 -18.616 1.00 1.00 H new ATOM 261 N GLU A 20 59.187 -13.744 -16.287 1.00 1.00 N ATOM 262 CA GLU A 20 60.233 -14.705 -15.958 1.00 1.00 C ATOM 263 C GLU A 20 61.442 -13.996 -15.356 1.00 1.00 C ATOM 264 O GLU A 20 62.530 -14.565 -15.273 1.00 1.00 O ATOM 265 CB GLU A 20 60.659 -15.463 -17.217 1.00 1.00 C ATOM 266 CG GLU A 20 59.551 -16.434 -17.628 1.00 1.00 C ATOM 267 CD GLU A 20 60.003 -17.264 -18.825 1.00 1.00 C ATOM 268 OE1 GLU A 20 60.182 -16.688 -19.886 1.00 1.00 O ATOM 269 OE2 GLU A 20 60.164 -18.462 -18.664 1.00 1.00 O ATOM 0 H GLU A 20 59.523 -12.873 -16.698 1.00 1.00 H new ATOM 0 HA GLU A 20 59.837 -15.409 -15.226 1.00 1.00 H new ATOM 0 HB2 GLU A 20 60.860 -14.761 -18.026 1.00 1.00 H new ATOM 0 HB3 GLU A 20 61.584 -16.008 -17.030 1.00 1.00 H new ATOM 0 HG2 GLU A 20 59.302 -17.090 -16.793 1.00 1.00 H new ATOM 0 HG3 GLU A 20 58.646 -15.881 -17.879 1.00 1.00 H new ATOM 276 N TYR A 21 61.243 -12.750 -14.937 1.00 1.00 N ATOM 277 CA TYR A 21 62.324 -11.973 -14.343 1.00 1.00 C ATOM 278 C TYR A 21 62.203 -11.959 -12.823 1.00 1.00 C ATOM 279 O TYR A 21 63.202 -11.843 -12.112 1.00 1.00 O ATOM 280 CB TYR A 21 62.288 -10.538 -14.872 1.00 1.00 C ATOM 281 CG TYR A 21 63.272 -9.691 -14.101 1.00 1.00 C ATOM 282 CD1 TYR A 21 64.644 -9.804 -14.357 1.00 1.00 C ATOM 283 CD2 TYR A 21 62.813 -8.794 -13.130 1.00 1.00 C ATOM 284 CE1 TYR A 21 65.556 -9.020 -13.642 1.00 1.00 C ATOM 285 CE2 TYR A 21 63.725 -8.009 -12.415 1.00 1.00 C ATOM 286 CZ TYR A 21 65.097 -8.122 -12.671 1.00 1.00 C ATOM 287 OH TYR A 21 65.997 -7.349 -11.966 1.00 1.00 O ATOM 0 H TYR A 21 60.350 -12.260 -14.997 1.00 1.00 H new ATOM 0 HA TYR A 21 63.271 -12.438 -14.616 1.00 1.00 H new ATOM 0 HB2 TYR A 21 62.534 -10.524 -15.934 1.00 1.00 H new ATOM 0 HB3 TYR A 21 61.283 -10.128 -14.773 1.00 1.00 H new ATOM 0 HD1 TYR A 21 64.998 -10.496 -15.106 1.00 1.00 H new ATOM 0 HD2 TYR A 21 61.755 -8.707 -12.932 1.00 1.00 H new ATOM 0 HE1 TYR A 21 66.614 -9.108 -13.839 1.00 1.00 H new ATOM 0 HE2 TYR A 21 63.371 -7.316 -11.666 1.00 1.00 H new ATOM 0 HH TYR A 21 65.513 -6.779 -11.332 1.00 1.00 H new ATOM 297 N THR A 22 60.975 -12.079 -12.331 1.00 1.00 N ATOM 298 CA THR A 22 60.736 -12.080 -10.892 1.00 1.00 C ATOM 299 C THR A 22 59.694 -13.131 -10.522 1.00 1.00 C ATOM 300 O THR A 22 59.101 -13.076 -9.444 1.00 1.00 O ATOM 301 CB THR A 22 60.253 -10.699 -10.442 1.00 1.00 C ATOM 302 OG1 THR A 22 60.181 -9.835 -11.568 1.00 1.00 O ATOM 303 CG2 THR A 22 61.231 -10.124 -9.416 1.00 1.00 C ATOM 0 H THR A 22 60.135 -12.176 -12.902 1.00 1.00 H new ATOM 0 HA THR A 22 61.672 -12.320 -10.387 1.00 1.00 H new ATOM 0 HB THR A 22 59.266 -10.788 -9.988 1.00 1.00 H new ATOM 0 HG1 THR A 22 59.870 -8.951 -11.282 1.00 1.00 H new ATOM 0 HG21 THR A 22 60.886 -9.141 -9.096 1.00 1.00 H new ATOM 0 HG22 THR A 22 61.285 -10.788 -8.553 1.00 1.00 H new ATOM 0 HG23 THR A 22 62.219 -10.033 -9.867 1.00 1.00 H new ATOM 311 N ASP A 23 59.478 -14.085 -11.425 1.00 1.00 N ATOM 312 CA ASP A 23 58.505 -15.149 -11.191 1.00 1.00 C ATOM 313 C ASP A 23 59.157 -16.518 -11.353 1.00 1.00 C ATOM 314 O ASP A 23 58.636 -17.524 -10.871 1.00 1.00 O ATOM 315 CB ASP A 23 57.342 -15.016 -12.175 1.00 1.00 C ATOM 316 CG ASP A 23 56.044 -14.763 -11.416 1.00 1.00 C ATOM 317 OD1 ASP A 23 55.654 -15.624 -10.644 1.00 1.00 O ATOM 318 OD2 ASP A 23 55.458 -13.712 -11.617 1.00 1.00 O ATOM 0 H ASP A 23 59.961 -14.143 -12.321 1.00 1.00 H new ATOM 0 HA ASP A 23 58.132 -15.057 -10.171 1.00 1.00 H new ATOM 0 HB2 ASP A 23 57.533 -14.197 -12.868 1.00 1.00 H new ATOM 0 HB3 ASP A 23 57.253 -15.924 -12.771 1.00 1.00 H new ATOM 323 N TRP A 24 60.298 -16.552 -12.035 1.00 1.00 N ATOM 324 CA TRP A 24 61.006 -17.808 -12.252 1.00 1.00 C ATOM 325 C TRP A 24 61.256 -18.515 -10.924 1.00 1.00 C ATOM 326 O TRP A 24 61.698 -19.664 -10.895 1.00 1.00 O ATOM 327 CB TRP A 24 62.340 -17.546 -12.956 1.00 1.00 C ATOM 328 CG TRP A 24 63.220 -16.717 -12.076 1.00 1.00 C ATOM 329 CD1 TRP A 24 63.024 -15.410 -11.790 1.00 1.00 C ATOM 330 CD2 TRP A 24 64.430 -17.115 -11.367 1.00 1.00 C ATOM 331 NE1 TRP A 24 64.036 -14.979 -10.950 1.00 1.00 N ATOM 332 CE2 TRP A 24 64.927 -15.993 -10.661 1.00 1.00 C ATOM 333 CE3 TRP A 24 65.136 -18.327 -11.268 1.00 1.00 C ATOM 334 CZ2 TRP A 24 66.084 -16.072 -9.885 1.00 1.00 C ATOM 335 CZ3 TRP A 24 66.301 -18.409 -10.488 1.00 1.00 C ATOM 336 CH2 TRP A 24 66.774 -17.284 -9.798 1.00 1.00 C ATOM 0 H TRP A 24 60.748 -15.733 -12.443 1.00 1.00 H new ATOM 0 HA TRP A 24 60.388 -18.448 -12.882 1.00 1.00 H new ATOM 0 HB2 TRP A 24 62.830 -18.491 -13.190 1.00 1.00 H new ATOM 0 HB3 TRP A 24 62.168 -17.033 -13.902 1.00 1.00 H new ATOM 0 HD1 TRP A 24 62.211 -14.802 -12.157 1.00 1.00 H new ATOM 0 HE1 TRP A 24 64.114 -14.028 -10.589 1.00 1.00 H new ATOM 0 HE3 TRP A 24 64.780 -19.200 -11.795 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 66.444 -15.202 -9.355 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 66.836 -19.345 -10.419 1.00 1.00 H new ATOM 0 HH2 TRP A 24 67.671 -17.354 -9.200 1.00 1.00 H new ATOM 347 N LYS A 25 60.966 -17.822 -9.827 1.00 1.00 N ATOM 348 CA LYS A 25 61.159 -18.392 -8.498 1.00 1.00 C ATOM 349 C LYS A 25 59.955 -18.098 -7.608 1.00 1.00 C ATOM 350 O LYS A 25 59.931 -18.477 -6.437 1.00 1.00 O ATOM 351 CB LYS A 25 62.429 -17.824 -7.853 1.00 1.00 C ATOM 352 CG LYS A 25 62.608 -16.353 -8.245 1.00 1.00 C ATOM 353 CD LYS A 25 61.392 -15.545 -7.786 1.00 1.00 C ATOM 354 CE LYS A 25 61.765 -14.063 -7.710 1.00 1.00 C ATOM 355 NZ LYS A 25 60.534 -13.251 -7.495 1.00 1.00 N ATOM 0 H LYS A 25 60.599 -16.870 -9.831 1.00 1.00 H new ATOM 0 HA LYS A 25 61.264 -19.472 -8.603 1.00 1.00 H new ATOM 0 HB2 LYS A 25 62.367 -17.914 -6.769 1.00 1.00 H new ATOM 0 HB3 LYS A 25 63.297 -18.401 -8.171 1.00 1.00 H new ATOM 0 HG2 LYS A 25 63.515 -15.953 -7.791 1.00 1.00 H new ATOM 0 HG3 LYS A 25 62.728 -16.266 -9.325 1.00 1.00 H new ATOM 0 HD2 LYS A 25 60.564 -15.688 -8.480 1.00 1.00 H new ATOM 0 HD3 LYS A 25 61.055 -15.897 -6.811 1.00 1.00 H new ATOM 0 HE2 LYS A 25 62.470 -13.896 -6.896 1.00 1.00 H new ATOM 0 HE3 LYS A 25 62.261 -13.754 -8.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 25 60.798 -12.263 -7.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 25 59.936 -13.295 -8.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 25 60.007 -13.628 -6.681 1.00 1.00 H new ATOM 369 N SER A 26 58.958 -17.421 -8.172 1.00 1.00 N ATOM 370 CA SER A 26 57.753 -17.080 -7.423 1.00 1.00 C ATOM 371 C SER A 26 58.104 -16.655 -6.001 1.00 1.00 C ATOM 372 O SER A 26 58.048 -17.460 -5.071 1.00 1.00 O ATOM 373 CB SER A 26 56.809 -18.281 -7.382 1.00 1.00 C ATOM 374 OG SER A 26 57.474 -19.381 -6.776 1.00 1.00 O ATOM 0 H SER A 26 58.961 -17.099 -9.140 1.00 1.00 H new ATOM 0 HA SER A 26 57.260 -16.247 -7.924 1.00 1.00 H new ATOM 0 HB2 SER A 26 55.909 -18.031 -6.820 1.00 1.00 H new ATOM 0 HB3 SER A 26 56.492 -18.544 -8.391 1.00 1.00 H new ATOM 0 HG SER A 26 58.201 -19.051 -6.208 1.00 1.00 H new ATOM 380 N SER A 27 58.466 -15.387 -5.840 1.00 1.00 N ATOM 381 CA SER A 27 58.824 -14.867 -4.525 1.00 1.00 C ATOM 382 C SER A 27 58.255 -13.465 -4.331 1.00 1.00 C ATOM 383 O SER A 27 58.530 -12.807 -3.328 1.00 1.00 O ATOM 384 CB SER A 27 60.345 -14.826 -4.377 1.00 1.00 C ATOM 385 OG SER A 27 60.860 -16.150 -4.454 1.00 1.00 O ATOM 0 H SER A 27 58.519 -14.705 -6.597 1.00 1.00 H new ATOM 0 HA SER A 27 58.403 -15.527 -3.767 1.00 1.00 H new ATOM 0 HB2 SER A 27 60.782 -14.207 -5.161 1.00 1.00 H new ATOM 0 HB3 SER A 27 60.617 -14.372 -3.424 1.00 1.00 H new ATOM 0 HG SER A 27 61.835 -16.128 -4.361 1.00 1.00 H new ATOM 391 N GLY A 28 57.460 -13.015 -5.296 1.00 1.00 N ATOM 392 CA GLY A 28 56.858 -11.690 -5.220 1.00 1.00 C ATOM 393 C GLY A 28 55.448 -11.698 -5.800 1.00 1.00 C ATOM 394 O GLY A 28 55.010 -10.722 -6.409 1.00 1.00 O ATOM 0 H GLY A 28 57.219 -13.544 -6.134 1.00 1.00 H new ATOM 0 HA2 GLY A 28 56.826 -11.360 -4.182 1.00 1.00 H new ATOM 0 HA3 GLY A 28 57.475 -10.974 -5.763 1.00 1.00 H new ATOM 398 N ALA A 29 54.742 -12.808 -5.608 1.00 1.00 N ATOM 399 CA ALA A 29 53.381 -12.933 -6.117 1.00 1.00 C ATOM 400 C ALA A 29 52.481 -13.599 -5.081 1.00 1.00 C ATOM 401 O ALA A 29 51.258 -13.474 -5.137 1.00 1.00 O ATOM 402 CB ALA A 29 53.379 -13.760 -7.404 1.00 1.00 C ATOM 0 H ALA A 29 55.086 -13.628 -5.108 1.00 1.00 H new ATOM 0 HA ALA A 29 52.998 -11.934 -6.326 1.00 1.00 H new ATOM 0 HB1 ALA A 29 52.359 -13.849 -7.778 1.00 1.00 H new ATOM 0 HB2 ALA A 29 53.999 -13.268 -8.154 1.00 1.00 H new ATOM 0 HB3 ALA A 29 53.778 -14.753 -7.199 1.00 1.00 H new ATOM 408 N LEU A 30 53.099 -14.304 -4.136 1.00 1.00 N ATOM 409 CA LEU A 30 52.350 -14.989 -3.087 1.00 1.00 C ATOM 410 C LEU A 30 52.577 -14.311 -1.739 1.00 1.00 C ATOM 411 O LEU A 30 51.809 -14.510 -0.797 1.00 1.00 O ATOM 412 CB LEU A 30 52.777 -16.460 -2.997 1.00 1.00 C ATOM 413 CG LEU A 30 53.890 -16.751 -4.009 1.00 1.00 C ATOM 414 CD1 LEU A 30 54.408 -18.174 -3.797 1.00 1.00 C ATOM 415 CD2 LEU A 30 53.337 -16.622 -5.431 1.00 1.00 C ATOM 0 H LEU A 30 54.111 -14.415 -4.076 1.00 1.00 H new ATOM 0 HA LEU A 30 51.291 -14.938 -3.339 1.00 1.00 H new ATOM 0 HB2 LEU A 30 53.125 -16.684 -1.989 1.00 1.00 H new ATOM 0 HB3 LEU A 30 51.921 -17.107 -3.190 1.00 1.00 H new ATOM 0 HG LEU A 30 54.703 -16.038 -3.868 1.00 1.00 H new ATOM 0 HD11 LEU A 30 55.200 -18.384 -4.516 1.00 1.00 H new ATOM 0 HD12 LEU A 30 54.801 -18.271 -2.785 1.00 1.00 H new ATOM 0 HD13 LEU A 30 53.592 -18.883 -3.939 1.00 1.00 H new ATOM 0 HD21 LEU A 30 54.130 -16.829 -6.150 1.00 1.00 H new ATOM 0 HD22 LEU A 30 52.524 -17.335 -5.571 1.00 1.00 H new ATOM 0 HD23 LEU A 30 52.963 -15.610 -5.585 1.00 1.00 H new ATOM 427 N ILE A 31 53.633 -13.508 -1.654 1.00 1.00 N ATOM 428 CA ILE A 31 53.947 -12.806 -0.415 1.00 1.00 C ATOM 429 C ILE A 31 53.267 -11.434 -0.369 1.00 1.00 C ATOM 430 O ILE A 31 52.780 -11.018 0.683 1.00 1.00 O ATOM 431 CB ILE A 31 55.463 -12.633 -0.267 1.00 1.00 C ATOM 432 CG1 ILE A 31 56.196 -13.650 -1.152 1.00 1.00 C ATOM 433 CG2 ILE A 31 55.863 -12.846 1.195 1.00 1.00 C ATOM 434 CD1 ILE A 31 55.718 -15.072 -0.837 1.00 1.00 C ATOM 0 H ILE A 31 54.281 -13.328 -2.421 1.00 1.00 H new ATOM 0 HA ILE A 31 53.570 -13.408 0.412 1.00 1.00 H new ATOM 0 HB ILE A 31 55.738 -11.625 -0.578 1.00 1.00 H new ATOM 0 HG12 ILE A 31 56.017 -13.423 -2.203 1.00 1.00 H new ATOM 0 HG13 ILE A 31 57.271 -13.576 -0.989 1.00 1.00 H new ATOM 0 HG21 ILE A 31 56.941 -12.723 1.299 1.00 1.00 H new ATOM 0 HG22 ILE A 31 55.352 -12.115 1.822 1.00 1.00 H new ATOM 0 HG23 ILE A 31 55.581 -13.852 1.507 1.00 1.00 H new ATOM 0 HD11 ILE A 31 56.247 -15.783 -1.472 1.00 1.00 H new ATOM 0 HD12 ILE A 31 55.920 -15.300 0.209 1.00 1.00 H new ATOM 0 HD13 ILE A 31 54.647 -15.145 -1.024 1.00 1.00 H new ATOM 446 N PRO A 32 53.224 -10.725 -1.472 1.00 1.00 N ATOM 447 CA PRO A 32 52.592 -9.383 -1.535 1.00 1.00 C ATOM 448 C PRO A 32 51.099 -9.460 -1.844 1.00 1.00 C ATOM 449 O PRO A 32 50.517 -8.514 -2.375 1.00 1.00 O ATOM 450 CB PRO A 32 53.352 -8.699 -2.669 1.00 1.00 C ATOM 451 CG PRO A 32 53.796 -9.801 -3.583 1.00 1.00 C ATOM 452 CD PRO A 32 53.767 -11.111 -2.783 1.00 1.00 C ATOM 0 HA PRO A 32 52.649 -8.850 -0.586 1.00 1.00 H new ATOM 0 HB2 PRO A 32 52.715 -7.988 -3.194 1.00 1.00 H new ATOM 0 HB3 PRO A 32 54.206 -8.140 -2.287 1.00 1.00 H new ATOM 0 HG2 PRO A 32 53.138 -9.867 -4.450 1.00 1.00 H new ATOM 0 HG3 PRO A 32 54.800 -9.605 -3.959 1.00 1.00 H new ATOM 0 HD2 PRO A 32 53.140 -11.859 -3.268 1.00 1.00 H new ATOM 0 HD3 PRO A 32 54.764 -11.542 -2.689 1.00 1.00 H new ATOM 460 N ALA A 33 50.489 -10.594 -1.508 1.00 1.00 N ATOM 461 CA ALA A 33 49.064 -10.791 -1.753 1.00 1.00 C ATOM 462 C ALA A 33 48.367 -11.286 -0.489 1.00 1.00 C ATOM 463 O ALA A 33 47.186 -11.631 -0.516 1.00 1.00 O ATOM 464 CB ALA A 33 48.863 -11.806 -2.879 1.00 1.00 C ATOM 0 H ALA A 33 50.957 -11.386 -1.068 1.00 1.00 H new ATOM 0 HA ALA A 33 48.629 -9.835 -2.044 1.00 1.00 H new ATOM 0 HB1 ALA A 33 47.797 -11.947 -3.055 1.00 1.00 H new ATOM 0 HB2 ALA A 33 49.336 -11.438 -3.789 1.00 1.00 H new ATOM 0 HB3 ALA A 33 49.313 -12.758 -2.596 1.00 1.00 H new ATOM 470 N ILE A 34 49.106 -11.317 0.615 1.00 1.00 N ATOM 471 CA ILE A 34 48.547 -11.771 1.883 1.00 1.00 C ATOM 472 C ILE A 34 49.043 -10.897 3.030 1.00 1.00 C ATOM 473 O ILE A 34 48.267 -10.497 3.898 1.00 1.00 O ATOM 474 CB ILE A 34 48.943 -13.225 2.140 1.00 1.00 C ATOM 475 CG1 ILE A 34 49.900 -13.694 1.040 1.00 1.00 C ATOM 476 CG2 ILE A 34 47.690 -14.104 2.135 1.00 1.00 C ATOM 477 CD1 ILE A 34 50.375 -15.115 1.349 1.00 1.00 C ATOM 0 H ILE A 34 50.085 -11.036 0.658 1.00 1.00 H new ATOM 0 HA ILE A 34 47.461 -11.696 1.826 1.00 1.00 H new ATOM 0 HB ILE A 34 49.436 -13.302 3.109 1.00 1.00 H new ATOM 0 HG12 ILE A 34 49.399 -13.669 0.072 1.00 1.00 H new ATOM 0 HG13 ILE A 34 50.754 -13.020 0.974 1.00 1.00 H new ATOM 0 HG21 ILE A 34 47.972 -15.141 2.318 1.00 1.00 H new ATOM 0 HG22 ILE A 34 47.008 -13.770 2.917 1.00 1.00 H new ATOM 0 HG23 ILE A 34 47.196 -14.028 1.166 1.00 1.00 H new ATOM 0 HD11 ILE A 34 51.056 -15.449 0.566 1.00 1.00 H new ATOM 0 HD12 ILE A 34 50.892 -15.125 2.309 1.00 1.00 H new ATOM 0 HD13 ILE A 34 49.516 -15.784 1.392 1.00 1.00 H new ATOM 489 N TYR A 35 50.339 -10.604 3.027 1.00 1.00 N ATOM 490 CA TYR A 35 50.927 -9.775 4.073 1.00 1.00 C ATOM 491 C TYR A 35 50.423 -8.339 3.967 1.00 1.00 C ATOM 492 O TYR A 35 50.911 -7.448 4.661 1.00 1.00 O ATOM 493 CB TYR A 35 52.453 -9.792 3.955 1.00 1.00 C ATOM 494 CG TYR A 35 53.016 -10.863 4.858 1.00 1.00 C ATOM 495 CD1 TYR A 35 52.967 -12.206 4.465 1.00 1.00 C ATOM 496 CD2 TYR A 35 53.586 -10.514 6.088 1.00 1.00 C ATOM 497 CE1 TYR A 35 53.489 -13.200 5.302 1.00 1.00 C ATOM 498 CE2 TYR A 35 54.108 -11.507 6.925 1.00 1.00 C ATOM 499 CZ TYR A 35 54.060 -12.850 6.532 1.00 1.00 C ATOM 500 OH TYR A 35 54.574 -13.829 7.357 1.00 1.00 O ATOM 0 H TYR A 35 50.998 -10.925 2.318 1.00 1.00 H new ATOM 0 HA TYR A 35 50.632 -10.180 5.041 1.00 1.00 H new ATOM 0 HB2 TYR A 35 52.746 -9.981 2.922 1.00 1.00 H new ATOM 0 HB3 TYR A 35 52.860 -8.819 4.229 1.00 1.00 H new ATOM 0 HD1 TYR A 35 52.527 -12.475 3.516 1.00 1.00 H new ATOM 0 HD2 TYR A 35 53.623 -9.478 6.391 1.00 1.00 H new ATOM 0 HE1 TYR A 35 53.451 -14.236 4.999 1.00 1.00 H new ATOM 0 HE2 TYR A 35 54.548 -11.237 7.874 1.00 1.00 H new ATOM 0 HH TYR A 35 54.933 -13.416 8.170 1.00 1.00 H new ATOM 510 N MET A 36 49.444 -8.124 3.094 1.00 1.00 N ATOM 511 CA MET A 36 48.882 -6.791 2.906 1.00 1.00 C ATOM 512 C MET A 36 47.549 -6.663 3.637 1.00 1.00 C ATOM 513 O MET A 36 47.412 -5.862 4.561 1.00 1.00 O ATOM 514 CB MET A 36 48.677 -6.518 1.415 1.00 1.00 C ATOM 515 CG MET A 36 50.035 -6.461 0.714 1.00 1.00 C ATOM 516 SD MET A 36 50.783 -4.834 0.979 1.00 1.00 S ATOM 517 CE MET A 36 52.500 -5.391 1.105 1.00 1.00 C ATOM 0 H MET A 36 49.026 -8.849 2.510 1.00 1.00 H new ATOM 0 HA MET A 36 49.579 -6.061 3.317 1.00 1.00 H new ATOM 0 HB2 MET A 36 48.060 -7.301 0.973 1.00 1.00 H new ATOM 0 HB3 MET A 36 48.145 -5.577 1.277 1.00 1.00 H new ATOM 0 HG2 MET A 36 50.690 -7.242 1.102 1.00 1.00 H new ATOM 0 HG3 MET A 36 49.914 -6.648 -0.353 1.00 1.00 H new ATOM 0 HE1 MET A 36 53.150 -4.532 1.273 1.00 1.00 H new ATOM 0 HE2 MET A 36 52.596 -6.087 1.938 1.00 1.00 H new ATOM 0 HE3 MET A 36 52.790 -5.890 0.180 1.00 1.00 H new ATOM 527 N LEU A 37 46.570 -7.456 3.215 1.00 1.00 N ATOM 528 CA LEU A 37 45.251 -7.422 3.836 1.00 1.00 C ATOM 529 C LEU A 37 45.277 -8.119 5.192 1.00 1.00 C ATOM 530 O LEU A 37 44.231 -8.449 5.751 1.00 1.00 O ATOM 531 CB LEU A 37 44.227 -8.107 2.928 1.00 1.00 C ATOM 532 CG LEU A 37 44.803 -9.427 2.413 1.00 1.00 C ATOM 533 CD1 LEU A 37 43.752 -10.530 2.550 1.00 1.00 C ATOM 534 CD2 LEU A 37 45.190 -9.273 0.941 1.00 1.00 C ATOM 0 H LEU A 37 46.663 -8.126 2.451 1.00 1.00 H new ATOM 0 HA LEU A 37 44.967 -6.380 3.982 1.00 1.00 H new ATOM 0 HB2 LEU A 37 43.304 -8.291 3.477 1.00 1.00 H new ATOM 0 HB3 LEU A 37 43.975 -7.456 2.090 1.00 1.00 H new ATOM 0 HG LEU A 37 45.685 -9.691 2.996 1.00 1.00 H new ATOM 0 HD11 LEU A 37 44.162 -11.471 2.183 1.00 1.00 H new ATOM 0 HD12 LEU A 37 43.474 -10.640 3.598 1.00 1.00 H new ATOM 0 HD13 LEU A 37 42.870 -10.267 1.966 1.00 1.00 H new ATOM 0 HD21 LEU A 37 45.601 -10.213 0.573 1.00 1.00 H new ATOM 0 HD22 LEU A 37 44.307 -9.010 0.358 1.00 1.00 H new ATOM 0 HD23 LEU A 37 45.938 -8.487 0.842 1.00 1.00 H new ATOM 546 N VAL A 38 46.481 -8.340 5.715 1.00 1.00 N ATOM 547 CA VAL A 38 46.638 -8.999 7.008 1.00 1.00 C ATOM 548 C VAL A 38 47.587 -8.205 7.900 1.00 1.00 C ATOM 549 O VAL A 38 47.171 -7.626 8.904 1.00 1.00 O ATOM 550 CB VAL A 38 47.187 -10.413 6.811 1.00 1.00 C ATOM 551 CG1 VAL A 38 47.459 -11.050 8.175 1.00 1.00 C ATOM 552 CG2 VAL A 38 46.163 -11.259 6.050 1.00 1.00 C ATOM 0 H VAL A 38 47.357 -8.074 5.266 1.00 1.00 H new ATOM 0 HA VAL A 38 45.661 -9.052 7.489 1.00 1.00 H new ATOM 0 HB VAL A 38 48.114 -10.364 6.240 1.00 1.00 H new ATOM 0 HG11 VAL A 38 47.850 -12.058 8.034 1.00 1.00 H new ATOM 0 HG12 VAL A 38 48.189 -10.450 8.718 1.00 1.00 H new ATOM 0 HG13 VAL A 38 46.532 -11.097 8.746 1.00 1.00 H new ATOM 0 HG21 VAL A 38 46.555 -12.266 5.910 1.00 1.00 H new ATOM 0 HG22 VAL A 38 45.235 -11.307 6.620 1.00 1.00 H new ATOM 0 HG23 VAL A 38 45.969 -10.807 5.077 1.00 1.00 H new ATOM 562 N PHE A 39 48.862 -8.182 7.527 1.00 1.00 N ATOM 563 CA PHE A 39 49.861 -7.456 8.302 1.00 1.00 C ATOM 564 C PHE A 39 49.310 -6.108 8.758 1.00 1.00 C ATOM 565 O PHE A 39 49.497 -5.708 9.907 1.00 1.00 O ATOM 566 CB PHE A 39 51.118 -7.235 7.457 1.00 1.00 C ATOM 567 CG PHE A 39 52.288 -6.935 8.363 1.00 1.00 C ATOM 568 CD1 PHE A 39 52.919 -7.973 9.059 1.00 1.00 C ATOM 569 CD2 PHE A 39 52.741 -5.619 8.507 1.00 1.00 C ATOM 570 CE1 PHE A 39 54.004 -7.695 9.899 1.00 1.00 C ATOM 571 CE2 PHE A 39 53.826 -5.340 9.347 1.00 1.00 C ATOM 572 CZ PHE A 39 54.457 -6.378 10.043 1.00 1.00 C ATOM 0 H PHE A 39 49.226 -8.654 6.699 1.00 1.00 H new ATOM 0 HA PHE A 39 50.113 -8.049 9.181 1.00 1.00 H new ATOM 0 HB2 PHE A 39 51.327 -8.121 6.858 1.00 1.00 H new ATOM 0 HB3 PHE A 39 50.962 -6.410 6.762 1.00 1.00 H new ATOM 0 HD1 PHE A 39 52.569 -8.989 8.948 1.00 1.00 H new ATOM 0 HD2 PHE A 39 52.254 -4.818 7.970 1.00 1.00 H new ATOM 0 HE1 PHE A 39 54.491 -8.496 10.435 1.00 1.00 H new ATOM 0 HE2 PHE A 39 54.176 -4.324 9.458 1.00 1.00 H new ATOM 0 HZ PHE A 39 55.294 -6.163 10.691 1.00 1.00 H new ATOM 582 N LEU A 40 48.629 -5.415 7.850 1.00 1.00 N ATOM 583 CA LEU A 40 48.053 -4.113 8.168 1.00 1.00 C ATOM 584 C LEU A 40 46.547 -4.230 8.373 1.00 1.00 C ATOM 585 O LEU A 40 45.768 -3.505 7.754 1.00 1.00 O ATOM 586 CB LEU A 40 48.341 -3.125 7.036 1.00 1.00 C ATOM 587 CG LEU A 40 49.816 -2.721 7.073 1.00 1.00 C ATOM 588 CD1 LEU A 40 50.382 -2.725 5.652 1.00 1.00 C ATOM 589 CD2 LEU A 40 49.945 -1.317 7.668 1.00 1.00 C ATOM 0 H LEU A 40 48.463 -5.731 6.894 1.00 1.00 H new ATOM 0 HA LEU A 40 48.507 -3.751 9.091 1.00 1.00 H new ATOM 0 HB2 LEU A 40 48.101 -3.578 6.074 1.00 1.00 H new ATOM 0 HB3 LEU A 40 47.709 -2.243 7.139 1.00 1.00 H new ATOM 0 HG LEU A 40 50.371 -3.430 7.688 1.00 1.00 H new ATOM 0 HD11 LEU A 40 51.433 -2.437 5.678 1.00 1.00 H new ATOM 0 HD12 LEU A 40 50.290 -3.724 5.227 1.00 1.00 H new ATOM 0 HD13 LEU A 40 49.827 -2.016 5.037 1.00 1.00 H new ATOM 0 HD21 LEU A 40 50.996 -1.028 7.695 1.00 1.00 H new ATOM 0 HD22 LEU A 40 49.390 -0.609 7.053 1.00 1.00 H new ATOM 0 HD23 LEU A 40 49.542 -1.312 8.681 1.00 1.00 H new ATOM 601 N LEU A 41 46.142 -5.147 9.246 1.00 1.00 N ATOM 602 CA LEU A 41 44.725 -5.350 9.525 1.00 1.00 C ATOM 603 C LEU A 41 44.544 -6.053 10.867 1.00 1.00 C ATOM 604 O LEU A 41 43.948 -5.502 11.793 1.00 1.00 O ATOM 605 CB LEU A 41 44.091 -6.185 8.405 1.00 1.00 C ATOM 606 CG LEU A 41 42.670 -6.615 8.795 1.00 1.00 C ATOM 607 CD1 LEU A 41 41.872 -5.404 9.282 1.00 1.00 C ATOM 608 CD2 LEU A 41 41.974 -7.218 7.573 1.00 1.00 C ATOM 0 H LEU A 41 46.770 -5.757 9.769 1.00 1.00 H new ATOM 0 HA LEU A 41 44.232 -4.379 9.572 1.00 1.00 H new ATOM 0 HB2 LEU A 41 44.062 -5.605 7.483 1.00 1.00 H new ATOM 0 HB3 LEU A 41 44.703 -7.065 8.209 1.00 1.00 H new ATOM 0 HG LEU A 41 42.725 -7.353 9.595 1.00 1.00 H new ATOM 0 HD11 LEU A 41 40.865 -5.718 9.557 1.00 1.00 H new ATOM 0 HD12 LEU A 41 42.366 -4.968 10.151 1.00 1.00 H new ATOM 0 HD13 LEU A 41 41.816 -4.661 8.486 1.00 1.00 H new ATOM 0 HD21 LEU A 41 40.964 -7.525 7.844 1.00 1.00 H new ATOM 0 HD22 LEU A 41 41.926 -6.474 6.778 1.00 1.00 H new ATOM 0 HD23 LEU A 41 42.536 -8.085 7.225 1.00 1.00 H new ATOM 620 N GLY A 42 45.063 -7.273 10.965 1.00 1.00 N ATOM 621 CA GLY A 42 44.952 -8.042 12.199 1.00 1.00 C ATOM 622 C GLY A 42 45.798 -7.424 13.306 1.00 1.00 C ATOM 623 O GLY A 42 45.983 -8.021 14.366 1.00 1.00 O ATOM 0 H GLY A 42 45.561 -7.747 10.211 1.00 1.00 H new ATOM 0 HA2 GLY A 42 43.909 -8.083 12.513 1.00 1.00 H new ATOM 0 HA3 GLY A 42 45.272 -9.069 12.022 1.00 1.00 H new ATOM 627 N THR A 43 46.310 -6.224 13.053 1.00 1.00 N ATOM 628 CA THR A 43 47.136 -5.534 14.038 1.00 1.00 C ATOM 629 C THR A 43 47.266 -4.055 13.687 1.00 1.00 C ATOM 630 O THR A 43 46.930 -3.185 14.491 1.00 1.00 O ATOM 631 CB THR A 43 48.526 -6.171 14.093 1.00 1.00 C ATOM 632 OG1 THR A 43 49.499 -5.162 14.323 1.00 1.00 O ATOM 633 CG2 THR A 43 48.821 -6.874 12.767 1.00 1.00 C ATOM 0 H THR A 43 46.169 -5.712 12.182 1.00 1.00 H new ATOM 0 HA THR A 43 46.657 -5.624 15.013 1.00 1.00 H new ATOM 0 HB THR A 43 48.559 -6.900 14.903 1.00 1.00 H new ATOM 0 HG1 THR A 43 50.390 -5.569 14.360 1.00 1.00 H new ATOM 0 HG21 THR A 43 49.811 -7.327 12.808 1.00 1.00 H new ATOM 0 HG22 THR A 43 48.074 -7.649 12.592 1.00 1.00 H new ATOM 0 HG23 THR A 43 48.788 -6.148 11.955 1.00 1.00 H new ATOM 641 N THR A 44 47.756 -3.778 12.483 1.00 1.00 N ATOM 642 CA THR A 44 47.926 -2.400 12.037 1.00 1.00 C ATOM 643 C THR A 44 48.844 -1.639 12.986 1.00 1.00 C ATOM 644 O THR A 44 49.066 -0.439 12.823 1.00 1.00 O ATOM 645 CB THR A 44 46.566 -1.700 11.969 1.00 1.00 C ATOM 646 OG1 THR A 44 46.273 -1.117 13.231 1.00 1.00 O ATOM 647 CG2 THR A 44 45.482 -2.717 11.611 1.00 1.00 C ATOM 0 H THR A 44 48.040 -4.483 11.803 1.00 1.00 H new ATOM 0 HA THR A 44 48.378 -2.413 11.045 1.00 1.00 H new ATOM 0 HB THR A 44 46.595 -0.922 11.206 1.00 1.00 H new ATOM 0 HG1 THR A 44 46.224 -1.820 13.912 1.00 1.00 H new ATOM 0 HG21 THR A 44 44.515 -2.216 11.563 1.00 1.00 H new ATOM 0 HG22 THR A 44 45.708 -3.164 10.643 1.00 1.00 H new ATOM 0 HG23 THR A 44 45.450 -3.497 12.372 1.00 1.00 H new ATOM 655 N GLY A 45 49.377 -2.344 13.979 1.00 1.00 N ATOM 656 CA GLY A 45 50.270 -1.723 14.950 1.00 1.00 C ATOM 657 C GLY A 45 49.486 -1.163 16.131 1.00 1.00 C ATOM 658 O GLY A 45 50.044 -0.483 16.993 1.00 1.00 O ATOM 0 H GLY A 45 49.208 -3.338 14.132 1.00 1.00 H new ATOM 0 HA2 GLY A 45 50.995 -2.456 15.304 1.00 1.00 H new ATOM 0 HA3 GLY A 45 50.834 -0.923 14.471 1.00 1.00 H new ATOM 662 N ASN A 46 48.189 -1.452 16.165 1.00 1.00 N ATOM 663 CA ASN A 46 47.337 -0.971 17.247 1.00 1.00 C ATOM 664 C ASN A 46 47.090 -2.078 18.267 1.00 1.00 C ATOM 665 O ASN A 46 46.542 -1.834 19.342 1.00 1.00 O ATOM 666 CB ASN A 46 46.000 -0.487 16.682 1.00 1.00 C ATOM 667 CG ASN A 46 46.222 0.724 15.783 1.00 1.00 C ATOM 668 OD1 ASN A 46 47.303 0.796 15.055 1.00 1.00 O flip ATOM 669 ND2 ASN A 46 45.389 1.629 15.743 1.00 1.00 N flip ATOM 0 H ASN A 46 47.708 -2.012 15.462 1.00 1.00 H new ATOM 0 HA ASN A 46 47.843 -0.143 17.743 1.00 1.00 H new ATOM 0 HB2 ASN A 46 45.524 -1.288 16.116 1.00 1.00 H new ATOM 0 HB3 ASN A 46 45.324 -0.227 17.497 1.00 1.00 H new ATOM 0 HD21 ASN A 46 44.545 1.571 16.313 1.00 1.00 H new ATOM 0 HD22 ASN A 46 45.543 2.437 15.140 1.00 1.00 H new ATOM 676 N GLY A 47 47.498 -3.295 17.923 1.00 1.00 N ATOM 677 CA GLY A 47 47.316 -4.432 18.817 1.00 1.00 C ATOM 678 C GLY A 47 48.540 -4.629 19.704 1.00 1.00 C ATOM 679 O GLY A 47 48.422 -5.041 20.858 1.00 1.00 O ATOM 0 H GLY A 47 47.954 -3.518 17.038 1.00 1.00 H new ATOM 0 HA2 GLY A 47 46.434 -4.274 19.438 1.00 1.00 H new ATOM 0 HA3 GLY A 47 47.137 -5.334 18.232 1.00 1.00 H new ATOM 683 N LEU A 48 49.714 -4.332 19.158 1.00 1.00 N ATOM 684 CA LEU A 48 50.955 -4.480 19.910 1.00 1.00 C ATOM 685 C LEU A 48 51.447 -3.124 20.404 1.00 1.00 C ATOM 686 O LEU A 48 52.643 -2.928 20.622 1.00 1.00 O ATOM 687 CB LEU A 48 52.027 -5.123 19.027 1.00 1.00 C ATOM 688 CG LEU A 48 52.195 -4.301 17.748 1.00 1.00 C ATOM 689 CD1 LEU A 48 53.616 -3.737 17.685 1.00 1.00 C ATOM 690 CD2 LEU A 48 51.950 -5.198 16.532 1.00 1.00 C ATOM 0 H LEU A 48 49.833 -3.990 18.204 1.00 1.00 H new ATOM 0 HA LEU A 48 50.762 -5.120 20.771 1.00 1.00 H new ATOM 0 HB2 LEU A 48 52.973 -5.175 19.565 1.00 1.00 H new ATOM 0 HB3 LEU A 48 51.744 -6.146 18.780 1.00 1.00 H new ATOM 0 HG LEU A 48 51.478 -3.480 17.747 1.00 1.00 H new ATOM 0 HD11 LEU A 48 53.735 -3.151 16.773 1.00 1.00 H new ATOM 0 HD12 LEU A 48 53.793 -3.100 18.551 1.00 1.00 H new ATOM 0 HD13 LEU A 48 54.333 -4.558 17.685 1.00 1.00 H new ATOM 0 HD21 LEU A 48 52.069 -4.614 15.619 1.00 1.00 H new ATOM 0 HD22 LEU A 48 52.668 -6.018 16.534 1.00 1.00 H new ATOM 0 HD23 LEU A 48 50.938 -5.601 16.575 1.00 1.00 H new ATOM 702 N VAL A 49 50.517 -2.190 20.579 1.00 1.00 N ATOM 703 CA VAL A 49 50.868 -0.855 21.048 1.00 1.00 C ATOM 704 C VAL A 49 49.859 -0.368 22.084 1.00 1.00 C ATOM 705 O VAL A 49 50.218 0.324 23.036 1.00 1.00 O ATOM 706 CB VAL A 49 50.903 0.120 19.870 1.00 1.00 C ATOM 707 CG1 VAL A 49 51.028 1.551 20.395 1.00 1.00 C ATOM 708 CG2 VAL A 49 52.104 -0.202 18.978 1.00 1.00 C ATOM 0 H VAL A 49 49.522 -2.332 20.404 1.00 1.00 H new ATOM 0 HA VAL A 49 51.854 -0.901 21.511 1.00 1.00 H new ATOM 0 HB VAL A 49 49.984 0.024 19.292 1.00 1.00 H new ATOM 0 HG11 VAL A 49 51.053 2.246 19.555 1.00 1.00 H new ATOM 0 HG12 VAL A 49 50.173 1.781 21.031 1.00 1.00 H new ATOM 0 HG13 VAL A 49 51.947 1.647 20.973 1.00 1.00 H new ATOM 0 HG21 VAL A 49 52.130 0.492 18.138 1.00 1.00 H new ATOM 0 HG22 VAL A 49 53.023 -0.106 19.556 1.00 1.00 H new ATOM 0 HG23 VAL A 49 52.016 -1.222 18.603 1.00 1.00 H new ATOM 718 N LEU A 50 48.597 -0.735 21.891 1.00 1.00 N ATOM 719 CA LEU A 50 47.544 -0.330 22.815 1.00 1.00 C ATOM 720 C LEU A 50 47.271 -1.432 23.834 1.00 1.00 C ATOM 721 O LEU A 50 47.404 -1.223 25.040 1.00 1.00 O ATOM 722 CB LEU A 50 46.261 -0.018 22.042 1.00 1.00 C ATOM 723 CG LEU A 50 45.265 0.683 22.967 1.00 1.00 C ATOM 724 CD1 LEU A 50 45.223 2.176 22.637 1.00 1.00 C ATOM 725 CD2 LEU A 50 43.873 0.078 22.767 1.00 1.00 C ATOM 0 H LEU A 50 48.280 -1.308 21.109 1.00 1.00 H new ATOM 0 HA LEU A 50 47.876 0.564 23.344 1.00 1.00 H new ATOM 0 HB2 LEU A 50 46.486 0.616 21.185 1.00 1.00 H new ATOM 0 HB3 LEU A 50 45.826 -0.938 21.652 1.00 1.00 H new ATOM 0 HG LEU A 50 45.576 0.550 24.003 1.00 1.00 H new ATOM 0 HD11 LEU A 50 44.513 2.675 23.297 1.00 1.00 H new ATOM 0 HD12 LEU A 50 46.214 2.608 22.778 1.00 1.00 H new ATOM 0 HD13 LEU A 50 44.912 2.311 21.601 1.00 1.00 H new ATOM 0 HD21 LEU A 50 43.162 0.576 23.426 1.00 1.00 H new ATOM 0 HD22 LEU A 50 43.563 0.212 21.731 1.00 1.00 H new ATOM 0 HD23 LEU A 50 43.901 -0.986 23.002 1.00 1.00 H new ATOM 737 N TRP A 51 46.890 -2.606 23.340 1.00 1.00 N ATOM 738 CA TRP A 51 46.601 -3.734 24.217 1.00 1.00 C ATOM 739 C TRP A 51 47.633 -3.821 25.337 1.00 1.00 C ATOM 740 O TRP A 51 47.346 -4.332 26.420 1.00 1.00 O ATOM 741 CB TRP A 51 46.608 -5.036 23.413 1.00 1.00 C ATOM 742 CG TRP A 51 47.835 -5.821 23.747 1.00 1.00 C ATOM 743 CD1 TRP A 51 49.102 -5.444 23.457 1.00 1.00 C ATOM 744 CD2 TRP A 51 47.936 -7.106 24.426 1.00 1.00 C ATOM 745 NE1 TRP A 51 49.973 -6.415 23.915 1.00 1.00 N ATOM 746 CE2 TRP A 51 49.303 -7.460 24.520 1.00 1.00 C ATOM 747 CE3 TRP A 51 46.984 -7.991 24.964 1.00 1.00 C ATOM 748 CZ2 TRP A 51 49.711 -8.649 25.126 1.00 1.00 C ATOM 749 CZ3 TRP A 51 47.391 -9.188 25.575 1.00 1.00 C ATOM 750 CH2 TRP A 51 48.752 -9.516 25.656 1.00 1.00 C ATOM 0 H TRP A 51 46.775 -2.800 22.345 1.00 1.00 H new ATOM 0 HA TRP A 51 45.615 -3.584 24.657 1.00 1.00 H new ATOM 0 HB2 TRP A 51 45.716 -5.621 23.640 1.00 1.00 H new ATOM 0 HB3 TRP A 51 46.583 -4.817 22.346 1.00 1.00 H new ATOM 0 HD1 TRP A 51 49.386 -4.533 22.951 1.00 1.00 H new ATOM 0 HE1 TRP A 51 50.987 -6.366 23.818 1.00 1.00 H new ATOM 0 HE3 TRP A 51 45.933 -7.748 24.907 1.00 1.00 H new ATOM 0 HZ2 TRP A 51 50.760 -8.897 25.185 1.00 1.00 H new ATOM 0 HZ3 TRP A 51 46.652 -9.860 25.985 1.00 1.00 H new ATOM 0 HH2 TRP A 51 49.059 -10.438 26.128 1.00 1.00 H new ATOM 761 N THR A 52 48.834 -3.319 25.069 1.00 1.00 N ATOM 762 CA THR A 52 49.901 -3.346 26.062 1.00 1.00 C ATOM 763 C THR A 52 49.458 -2.649 27.344 1.00 1.00 C ATOM 764 O THR A 52 49.725 -3.128 28.446 1.00 1.00 O ATOM 765 CB THR A 52 51.148 -2.654 25.507 1.00 1.00 C ATOM 766 OG1 THR A 52 52.230 -2.836 26.411 1.00 1.00 O ATOM 767 CG2 THR A 52 50.871 -1.160 25.334 1.00 1.00 C ATOM 0 H THR A 52 49.091 -2.892 24.179 1.00 1.00 H new ATOM 0 HA THR A 52 50.134 -4.386 26.290 1.00 1.00 H new ATOM 0 HB THR A 52 51.404 -3.087 24.540 1.00 1.00 H new ATOM 0 HG1 THR A 52 53.030 -2.395 26.057 1.00 1.00 H new ATOM 0 HG21 THR A 52 51.760 -0.669 24.939 1.00 1.00 H new ATOM 0 HG22 THR A 52 50.041 -1.022 24.641 1.00 1.00 H new ATOM 0 HG23 THR A 52 50.614 -0.723 26.299 1.00 1.00 H new ATOM 775 N VAL A 53 48.780 -1.516 27.193 1.00 1.00 N ATOM 776 CA VAL A 53 48.305 -0.761 28.347 1.00 1.00 C ATOM 777 C VAL A 53 47.603 -1.683 29.338 1.00 1.00 C ATOM 778 O VAL A 53 47.795 -1.571 30.549 1.00 1.00 O ATOM 779 CB VAL A 53 47.338 0.333 27.892 1.00 1.00 C ATOM 780 CG1 VAL A 53 47.011 1.250 29.072 1.00 1.00 C ATOM 781 CG2 VAL A 53 47.987 1.154 26.775 1.00 1.00 C ATOM 0 H VAL A 53 48.548 -1.103 26.290 1.00 1.00 H new ATOM 0 HA VAL A 53 49.164 -0.305 28.839 1.00 1.00 H new ATOM 0 HB VAL A 53 46.420 -0.125 27.523 1.00 1.00 H new ATOM 0 HG11 VAL A 53 46.322 2.029 28.747 1.00 1.00 H new ATOM 0 HG12 VAL A 53 46.550 0.667 29.869 1.00 1.00 H new ATOM 0 HG13 VAL A 53 47.928 1.708 29.442 1.00 1.00 H new ATOM 0 HG21 VAL A 53 47.299 1.934 26.450 1.00 1.00 H new ATOM 0 HG22 VAL A 53 48.905 1.611 27.145 1.00 1.00 H new ATOM 0 HG23 VAL A 53 48.221 0.502 25.933 1.00 1.00 H new ATOM 791 N PHE A 54 46.788 -2.594 28.816 1.00 1.00 N ATOM 792 CA PHE A 54 46.061 -3.530 29.665 1.00 1.00 C ATOM 793 C PHE A 54 46.990 -4.631 30.169 1.00 1.00 C ATOM 794 O PHE A 54 46.535 -5.658 30.672 1.00 1.00 O ATOM 795 CB PHE A 54 44.902 -4.152 28.882 1.00 1.00 C ATOM 796 CG PHE A 54 43.602 -3.525 29.324 1.00 1.00 C ATOM 797 CD1 PHE A 54 43.287 -2.218 28.934 1.00 1.00 C ATOM 798 CD2 PHE A 54 42.712 -4.251 30.125 1.00 1.00 C ATOM 799 CE1 PHE A 54 42.081 -1.637 29.344 1.00 1.00 C ATOM 800 CE2 PHE A 54 41.506 -3.669 30.535 1.00 1.00 C ATOM 801 CZ PHE A 54 41.191 -2.362 30.145 1.00 1.00 C ATOM 0 H PHE A 54 46.615 -2.704 27.817 1.00 1.00 H new ATOM 0 HA PHE A 54 45.668 -2.984 30.523 1.00 1.00 H new ATOM 0 HB2 PHE A 54 45.047 -3.998 27.813 1.00 1.00 H new ATOM 0 HB3 PHE A 54 44.874 -5.229 29.048 1.00 1.00 H new ATOM 0 HD1 PHE A 54 43.974 -1.658 28.317 1.00 1.00 H new ATOM 0 HD2 PHE A 54 42.955 -5.259 30.426 1.00 1.00 H new ATOM 0 HE1 PHE A 54 41.837 -0.629 29.042 1.00 1.00 H new ATOM 0 HE2 PHE A 54 40.819 -4.229 31.152 1.00 1.00 H new ATOM 0 HZ PHE A 54 40.261 -1.913 30.462 1.00 1.00 H new ATOM 811 N ARG A 55 48.293 -4.408 30.029 1.00 1.00 N ATOM 812 CA ARG A 55 49.280 -5.387 30.473 1.00 1.00 C ATOM 813 C ARG A 55 50.414 -4.700 31.228 1.00 1.00 C ATOM 814 O ARG A 55 50.966 -5.256 32.177 1.00 1.00 O ATOM 815 CB ARG A 55 49.847 -6.139 29.268 1.00 1.00 C ATOM 816 CG ARG A 55 50.630 -7.361 29.752 1.00 1.00 C ATOM 817 CD ARG A 55 51.297 -8.046 28.557 1.00 1.00 C ATOM 818 NE ARG A 55 52.748 -7.994 28.691 1.00 1.00 N ATOM 819 CZ ARG A 55 53.530 -8.839 28.027 1.00 1.00 C ATOM 820 NH1 ARG A 55 53.002 -9.734 27.238 1.00 1.00 N ATOM 821 NH2 ARG A 55 54.826 -8.773 28.163 1.00 1.00 N ATOM 0 H ARG A 55 48.688 -3.564 29.615 1.00 1.00 H new ATOM 0 HA ARG A 55 48.789 -6.093 31.143 1.00 1.00 H new ATOM 0 HB2 ARG A 55 49.038 -6.450 28.607 1.00 1.00 H new ATOM 0 HB3 ARG A 55 50.497 -5.483 28.689 1.00 1.00 H new ATOM 0 HG2 ARG A 55 51.384 -7.059 30.479 1.00 1.00 H new ATOM 0 HG3 ARG A 55 49.961 -8.058 30.258 1.00 1.00 H new ATOM 0 HD2 ARG A 55 50.968 -9.083 28.493 1.00 1.00 H new ATOM 0 HD3 ARG A 55 50.992 -7.557 27.632 1.00 1.00 H new ATOM 0 HE ARG A 55 53.170 -7.297 29.305 1.00 1.00 H new ATOM 0 HH11 ARG A 55 51.989 -9.785 27.131 1.00 1.00 H new ATOM 0 HH12 ARG A 55 53.602 -10.382 26.728 1.00 1.00 H new ATOM 0 HH21 ARG A 55 55.239 -8.073 28.779 1.00 1.00 H new ATOM 0 HH22 ARG A 55 55.426 -9.422 27.653 1.00 1.00 H new ATOM 835 N LYS A 56 50.757 -3.490 30.799 1.00 1.00 N ATOM 836 CA LYS A 56 51.828 -2.738 31.442 1.00 1.00 C ATOM 837 C LYS A 56 51.512 -2.510 32.917 1.00 1.00 C ATOM 838 O LYS A 56 52.378 -2.101 33.690 1.00 1.00 O ATOM 839 CB LYS A 56 52.010 -1.389 30.743 1.00 1.00 C ATOM 840 CG LYS A 56 52.171 -1.611 29.238 1.00 1.00 C ATOM 841 CD LYS A 56 53.424 -0.883 28.745 1.00 1.00 C ATOM 842 CE LYS A 56 53.293 0.613 29.035 1.00 1.00 C ATOM 843 NZ LYS A 56 53.694 1.390 27.828 1.00 1.00 N ATOM 0 H LYS A 56 50.313 -3.012 30.015 1.00 1.00 H new ATOM 0 HA LYS A 56 52.749 -3.315 31.365 1.00 1.00 H new ATOM 0 HB2 LYS A 56 51.150 -0.748 30.937 1.00 1.00 H new ATOM 0 HB3 LYS A 56 52.886 -0.876 31.141 1.00 1.00 H new ATOM 0 HG2 LYS A 56 52.249 -2.677 29.023 1.00 1.00 H new ATOM 0 HG3 LYS A 56 51.292 -1.243 28.709 1.00 1.00 H new ATOM 0 HD2 LYS A 56 54.309 -1.284 29.240 1.00 1.00 H new ATOM 0 HD3 LYS A 56 53.555 -1.047 27.675 1.00 1.00 H new ATOM 0 HE2 LYS A 56 52.266 0.852 29.310 1.00 1.00 H new ATOM 0 HE3 LYS A 56 53.922 0.887 29.882 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 53.605 2.407 28.025 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 54.681 1.169 27.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 53.076 1.136 27.031 1.00 1.00 H new ATOM 857 N LYS A 57 50.268 -2.779 33.298 1.00 1.00 N ATOM 858 CA LYS A 57 49.849 -2.600 34.684 1.00 1.00 C ATOM 859 C LYS A 57 50.801 -3.326 35.629 1.00 1.00 C ATOM 860 O LYS A 57 51.019 -2.893 36.760 1.00 1.00 O ATOM 861 CB LYS A 57 48.430 -3.137 34.874 1.00 1.00 C ATOM 862 CG LYS A 57 47.517 -2.566 33.787 1.00 1.00 C ATOM 863 CD LYS A 57 46.284 -1.934 34.436 1.00 1.00 C ATOM 864 CE LYS A 57 45.304 -1.492 33.347 1.00 1.00 C ATOM 865 NZ LYS A 57 44.045 -1.006 33.979 1.00 1.00 N ATOM 0 H LYS A 57 49.537 -3.119 32.673 1.00 1.00 H new ATOM 0 HA LYS A 57 49.868 -1.535 34.915 1.00 1.00 H new ATOM 0 HB2 LYS A 57 48.433 -4.226 34.826 1.00 1.00 H new ATOM 0 HB3 LYS A 57 48.055 -2.862 35.860 1.00 1.00 H new ATOM 0 HG2 LYS A 57 48.054 -1.821 33.200 1.00 1.00 H new ATOM 0 HG3 LYS A 57 47.215 -3.356 33.099 1.00 1.00 H new ATOM 0 HD2 LYS A 57 45.804 -2.650 35.103 1.00 1.00 H new ATOM 0 HD3 LYS A 57 46.578 -1.079 35.044 1.00 1.00 H new ATOM 0 HE2 LYS A 57 45.748 -0.702 32.742 1.00 1.00 H new ATOM 0 HE3 LYS A 57 45.089 -2.324 32.677 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 43.379 -0.706 33.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 43.619 -1.772 34.538 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 44.258 -0.200 34.601 1.00 1.00 H new ATOM 879 N GLY A 58 51.365 -4.433 35.157 1.00 1.00 N ATOM 880 CA GLY A 58 52.293 -5.212 35.969 1.00 1.00 C ATOM 881 C GLY A 58 52.939 -6.321 35.146 1.00 1.00 C ATOM 882 O GLY A 58 52.539 -7.482 35.228 1.00 1.00 O ATOM 0 H GLY A 58 51.198 -4.809 34.224 1.00 1.00 H new ATOM 0 HA2 GLY A 58 53.065 -4.558 36.374 1.00 1.00 H new ATOM 0 HA3 GLY A 58 51.764 -5.645 36.818 1.00 1.00 H new ATOM 886 N HIS A 59 53.941 -5.955 34.353 1.00 1.00 N ATOM 887 CA HIS A 59 54.636 -6.928 33.518 1.00 1.00 C ATOM 888 C HIS A 59 54.877 -8.221 34.290 1.00 1.00 C ATOM 889 O HIS A 59 54.841 -9.311 33.720 1.00 1.00 O ATOM 890 CB HIS A 59 55.974 -6.353 33.050 1.00 1.00 C ATOM 891 CG HIS A 59 55.803 -5.720 31.697 1.00 1.00 C ATOM 892 ND1 HIS A 59 55.549 -6.468 30.558 1.00 1.00 N ATOM 893 CD2 HIS A 59 55.846 -4.411 31.284 1.00 1.00 C ATOM 894 CE1 HIS A 59 55.451 -5.612 29.524 1.00 1.00 C ATOM 895 NE2 HIS A 59 55.623 -4.346 29.912 1.00 1.00 N ATOM 0 H HIS A 59 54.288 -4.999 34.271 1.00 1.00 H new ATOM 0 HA HIS A 59 54.012 -7.147 32.651 1.00 1.00 H new ATOM 0 HB2 HIS A 59 56.335 -5.614 33.766 1.00 1.00 H new ATOM 0 HB3 HIS A 59 56.724 -7.142 33.002 1.00 1.00 H new ATOM 0 HD2 HIS A 59 56.026 -3.561 31.926 1.00 1.00 H new ATOM 0 HE1 HIS A 59 55.257 -5.912 28.505 1.00 1.00 H new ATOM 0 HE2 HIS A 59 55.597 -3.510 29.328 1.00 1.00 H new ATOM 903 N HIS A 60 55.123 -8.091 35.590 1.00 1.00 N ATOM 904 CA HIS A 60 55.369 -9.257 36.431 1.00 1.00 C ATOM 905 C HIS A 60 54.105 -10.102 36.557 1.00 1.00 C ATOM 906 O HIS A 60 53.836 -10.962 35.719 1.00 1.00 O ATOM 907 CB HIS A 60 55.828 -8.811 37.820 1.00 1.00 C ATOM 908 CG HIS A 60 55.167 -7.506 38.172 1.00 1.00 C ATOM 909 ND1 HIS A 60 55.588 -6.298 37.640 1.00 1.00 N ATOM 910 CD2 HIS A 60 54.115 -7.205 39.001 1.00 1.00 C ATOM 911 CE1 HIS A 60 54.800 -5.333 38.149 1.00 1.00 C ATOM 912 NE2 HIS A 60 53.885 -5.832 38.985 1.00 1.00 N ATOM 0 H HIS A 60 55.157 -7.197 36.081 1.00 1.00 H new ATOM 0 HA HIS A 60 56.150 -9.859 35.967 1.00 1.00 H new ATOM 0 HB2 HIS A 60 55.574 -9.570 38.560 1.00 1.00 H new ATOM 0 HB3 HIS A 60 56.912 -8.698 37.838 1.00 1.00 H new ATOM 0 HD2 HIS A 60 53.552 -7.924 39.578 1.00 1.00 H new ATOM 0 HE1 HIS A 60 54.896 -4.284 37.911 1.00 1.00 H new ATOM 0 HE2 HIS A 60 53.171 -5.317 39.501 1.00 1.00 H new ATOM 920 N HIS A 61 53.335 -9.852 37.610 1.00 1.00 N ATOM 921 CA HIS A 61 52.101 -10.597 37.837 1.00 1.00 C ATOM 922 C HIS A 61 51.122 -9.773 38.667 1.00 1.00 C ATOM 923 O HIS A 61 51.369 -9.496 39.841 1.00 1.00 O ATOM 924 CB HIS A 61 52.409 -11.909 38.561 1.00 1.00 C ATOM 925 CG HIS A 61 52.021 -13.068 37.685 1.00 1.00 C ATOM 926 ND1 HIS A 61 50.706 -13.489 37.556 1.00 1.00 N ATOM 927 CD2 HIS A 61 52.762 -13.904 36.887 1.00 1.00 C ATOM 928 CE1 HIS A 61 50.697 -14.536 36.710 1.00 1.00 C ATOM 929 NE2 HIS A 61 51.924 -14.830 36.273 1.00 1.00 N ATOM 0 H HIS A 61 53.541 -9.145 38.316 1.00 1.00 H new ATOM 0 HA HIS A 61 51.647 -10.814 36.870 1.00 1.00 H new ATOM 0 HB2 HIS A 61 53.470 -11.962 38.804 1.00 1.00 H new ATOM 0 HB3 HIS A 61 51.864 -11.953 39.504 1.00 1.00 H new ATOM 0 HD2 HIS A 61 53.833 -13.851 36.756 1.00 1.00 H new ATOM 0 HE1 HIS A 61 49.806 -15.073 36.420 1.00 1.00 H new ATOM 0 HE2 HIS A 61 52.190 -15.574 35.628 1.00 1.00 H new ATOM 937 N HIS A 62 50.012 -9.384 38.049 1.00 1.00 N ATOM 938 CA HIS A 62 49.002 -8.591 38.741 1.00 1.00 C ATOM 939 C HIS A 62 48.069 -9.494 39.543 1.00 1.00 C ATOM 940 O HIS A 62 48.520 -10.313 40.344 1.00 1.00 O ATOM 941 CB HIS A 62 48.188 -7.784 37.729 1.00 1.00 C ATOM 942 CG HIS A 62 47.508 -8.721 36.770 1.00 1.00 C ATOM 943 ND1 HIS A 62 48.212 -9.449 35.823 1.00 1.00 N ATOM 944 CD2 HIS A 62 46.189 -9.061 36.598 1.00 1.00 C ATOM 945 CE1 HIS A 62 47.321 -10.183 35.130 1.00 1.00 C ATOM 946 NE2 HIS A 62 46.073 -9.984 35.563 1.00 1.00 N ATOM 0 H HIS A 62 49.790 -9.603 37.078 1.00 1.00 H new ATOM 0 HA HIS A 62 49.508 -7.910 39.426 1.00 1.00 H new ATOM 0 HB2 HIS A 62 47.447 -7.175 38.246 1.00 1.00 H new ATOM 0 HB3 HIS A 62 48.839 -7.100 37.185 1.00 1.00 H new ATOM 0 HD2 HIS A 62 45.366 -8.671 37.178 1.00 1.00 H new ATOM 0 HE1 HIS A 62 47.583 -10.851 34.323 1.00 1.00 H new ATOM 0 HE2 HIS A 62 45.219 -10.416 35.211 1.00 1.00 H new ATOM 954 N HIS A 63 46.768 -9.338 39.322 1.00 1.00 N ATOM 955 CA HIS A 63 45.781 -10.144 40.029 1.00 1.00 C ATOM 956 C HIS A 63 46.140 -10.255 41.508 1.00 1.00 C ATOM 957 O HIS A 63 46.033 -11.327 42.104 1.00 1.00 O ATOM 958 CB HIS A 63 45.710 -11.543 39.413 1.00 1.00 C ATOM 959 CG HIS A 63 44.464 -12.238 39.889 1.00 1.00 C ATOM 960 ND1 HIS A 63 44.507 -13.430 40.595 1.00 1.00 N ATOM 961 CD2 HIS A 63 43.134 -11.922 39.767 1.00 1.00 C ATOM 962 CE1 HIS A 63 43.238 -13.785 40.869 1.00 1.00 C ATOM 963 NE2 HIS A 63 42.361 -12.900 40.387 1.00 1.00 N ATOM 0 H HIS A 63 46.375 -8.665 38.663 1.00 1.00 H new ATOM 0 HA HIS A 63 44.810 -9.658 39.938 1.00 1.00 H new ATOM 0 HB2 HIS A 63 45.707 -11.473 38.325 1.00 1.00 H new ATOM 0 HB3 HIS A 63 46.591 -12.120 39.693 1.00 1.00 H new ATOM 0 HD2 HIS A 63 42.746 -11.047 39.266 1.00 1.00 H new ATOM 0 HE1 HIS A 63 42.962 -14.677 41.412 1.00 1.00 H new ATOM 0 HE2 HIS A 63 41.344 -12.934 40.458 1.00 1.00 H new ATOM 971 N HIS A 64 46.566 -9.141 42.093 1.00 1.00 N ATOM 972 CA HIS A 64 46.938 -9.125 43.503 1.00 1.00 C ATOM 973 C HIS A 64 45.864 -9.802 44.349 1.00 1.00 C ATOM 974 O HIS A 64 46.225 -10.563 45.231 1.00 1.00 O ATOM 975 CB HIS A 64 47.129 -7.683 43.977 1.00 1.00 C ATOM 976 CG HIS A 64 45.793 -6.997 44.049 1.00 1.00 C ATOM 977 ND1 HIS A 64 45.136 -6.537 42.919 1.00 1.00 N ATOM 978 CD2 HIS A 64 44.977 -6.687 45.109 1.00 1.00 C ATOM 979 CE1 HIS A 64 43.979 -5.980 43.320 1.00 1.00 C ATOM 980 NE2 HIS A 64 43.832 -6.044 44.646 1.00 1.00 N ATOM 981 OXT HIS A 64 44.697 -9.549 44.101 1.00 1.00 O ATOM 0 H HIS A 64 46.662 -8.244 41.617 1.00 1.00 H new ATOM 0 HA HIS A 64 47.874 -9.672 43.618 1.00 1.00 H new ATOM 0 HB2 HIS A 64 47.609 -7.671 44.956 1.00 1.00 H new ATOM 0 HB3 HIS A 64 47.788 -7.148 43.293 1.00 1.00 H new ATOM 0 HD2 HIS A 64 45.191 -6.908 46.144 1.00 1.00 H new ATOM 0 HE1 HIS A 64 43.257 -5.535 42.651 1.00 1.00 H new ATOM 0 HE2 HIS A 64 43.049 -5.697 45.200 1.00 1.00 H new TER 989 HIS A 64