USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 429 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 57 THR OG1 : rot 77:sc= 0.728 USER MOD Set 1.2: A 62 THR OG1 : rot 125:sc= -0.0893 USER MOD Set 2.1: A 47 SER OG : rot 167:sc= 1.27 USER MOD Set 2.2: A 51 HIS : no HD1:sc= 1.08 K(o=2.3,f=-2.8) USER MOD Set 3.1: A 6 HIS : no HE2:sc= 0.283 K(o=1.7,f=-2.5!) USER MOD Set 3.2: A 40 THR OG1 : rot 66:sc= 1.45 USER MOD Set 4.1: A 12 CYS SG : rot -21:sc= 0.0281 USER MOD Set 4.2: A 15 CYS SG : rot -71:sc= 1.54 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -120:sc= -0.387 (180deg=-1.07) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= 1.53 (180deg=0.838) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -78:sc= 0.711 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 110:sc= 0.314 USER MOD Single : A 61 TYR OH : rot -108:sc= 0.0276 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.702 -13.320 -7.010 1.00 0.00 N ATOM 2 CA ALA A 1 3.508 -13.825 -5.656 1.00 0.00 C ATOM 3 C ALA A 1 4.259 -12.973 -4.639 1.00 0.00 C ATOM 4 O ALA A 1 5.206 -13.436 -4.005 1.00 0.00 O ATOM 5 CB ALA A 1 3.957 -15.276 -5.566 1.00 0.00 C ATOM 0 H1 ALA A 1 3.180 -13.918 -7.682 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.350 -12.343 -7.070 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.715 -13.338 -7.245 1.00 0.00 H new ATOM 0 HA ALA A 1 2.445 -13.769 -5.422 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.807 -15.641 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.373 -15.881 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.014 -15.347 -5.824 1.00 0.00 H new ATOM 11 N GLY A 2 3.830 -11.724 -4.488 1.00 0.00 N ATOM 12 CA GLY A 2 4.469 -10.829 -3.542 1.00 0.00 C ATOM 13 C GLY A 2 3.721 -10.744 -2.227 1.00 0.00 C ATOM 14 O GLY A 2 3.257 -11.758 -1.701 1.00 0.00 O ATOM 0 H GLY A 2 3.051 -11.316 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.487 -11.170 -3.356 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.541 -9.834 -3.980 1.00 0.00 H new ATOM 18 N LEU A 3 3.604 -9.535 -1.691 1.00 0.00 N ATOM 19 CA LEU A 3 2.889 -9.319 -0.437 1.00 0.00 C ATOM 20 C LEU A 3 1.474 -8.812 -0.697 1.00 0.00 C ATOM 21 O LEU A 3 1.220 -8.134 -1.692 1.00 0.00 O ATOM 22 CB LEU A 3 3.658 -8.332 0.450 1.00 0.00 C ATOM 23 CG LEU A 3 5.079 -8.766 0.831 1.00 0.00 C ATOM 24 CD1 LEU A 3 5.773 -7.656 1.608 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.016 -10.044 1.655 1.00 0.00 C ATOM 0 H LEU A 3 3.995 -8.688 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 3 2.816 -10.274 0.083 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.714 -7.373 -0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.087 -8.170 1.364 1.00 0.00 H new ATOM 0 HG LEU A 3 5.655 -8.960 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.781 -7.974 1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.826 -6.759 0.992 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.209 -7.440 2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.026 -10.352 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.436 -9.865 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.541 -10.831 1.070 1.00 0.00 H new ATOM 37 N SER A 4 0.556 -9.144 0.206 1.00 0.00 N ATOM 38 CA SER A 4 -0.827 -8.696 0.091 1.00 0.00 C ATOM 39 C SER A 4 -1.307 -8.078 1.400 1.00 0.00 C ATOM 40 O SER A 4 -1.158 -8.667 2.470 1.00 0.00 O ATOM 41 CB SER A 4 -1.720 -9.854 -0.310 1.00 0.00 C ATOM 42 OG SER A 4 -3.063 -9.470 -0.416 1.00 0.00 O ATOM 0 H SER A 4 0.745 -9.722 1.025 1.00 0.00 H new ATOM 0 HA SER A 4 -0.878 -7.930 -0.683 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.382 -10.258 -1.264 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.629 -10.654 0.425 1.00 0.00 H new ATOM 0 HG SER A 4 -3.605 -10.244 -0.678 1.00 0.00 H new ATOM 48 N PHE A 5 -1.888 -6.886 1.306 1.00 0.00 N ATOM 49 CA PHE A 5 -2.425 -6.203 2.477 1.00 0.00 C ATOM 50 C PHE A 5 -3.852 -5.726 2.220 1.00 0.00 C ATOM 51 O PHE A 5 -4.122 -5.047 1.229 1.00 0.00 O ATOM 52 CB PHE A 5 -1.533 -5.022 2.864 1.00 0.00 C ATOM 53 CG PHE A 5 -0.119 -5.411 3.187 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.231 -5.810 4.468 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.865 -5.379 2.210 1.00 0.00 C ATOM 56 CE1 PHE A 5 1.532 -6.167 4.767 1.00 0.00 C ATOM 57 CE2 PHE A 5 2.167 -5.737 2.506 1.00 0.00 C ATOM 58 CZ PHE A 5 2.500 -6.131 3.784 1.00 0.00 C ATOM 0 H PHE A 5 -1.999 -6.373 0.431 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.444 -6.912 3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.524 -4.302 2.046 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.968 -4.518 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.522 -5.842 5.241 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.611 -5.071 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.791 -6.474 5.769 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.923 -5.708 1.736 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.517 -6.411 4.016 1.00 0.00 H new ATOM 68 N HIS A 6 -4.761 -6.084 3.121 1.00 0.00 N ATOM 69 CA HIS A 6 -6.153 -5.664 3.012 1.00 0.00 C ATOM 70 C HIS A 6 -6.434 -4.475 3.927 1.00 0.00 C ATOM 71 O HIS A 6 -6.260 -4.559 5.142 1.00 0.00 O ATOM 72 CB HIS A 6 -7.098 -6.822 3.347 1.00 0.00 C ATOM 73 CG HIS A 6 -8.544 -6.504 3.122 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.112 -6.473 1.866 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.536 -6.202 3.992 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.393 -6.166 1.973 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.675 -5.996 3.252 1.00 0.00 N ATOM 0 H HIS A 6 -4.558 -6.664 3.935 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.330 -5.358 1.981 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.827 -7.687 2.742 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.956 -7.105 4.390 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.621 -6.658 0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.449 -6.135 5.066 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.090 -6.070 1.154 1.00 0.00 H new ATOM 84 N VAL A 7 -6.871 -3.368 3.333 1.00 0.00 N ATOM 85 CA VAL A 7 -6.978 -2.106 4.055 1.00 0.00 C ATOM 86 C VAL A 7 -8.428 -1.644 4.141 1.00 0.00 C ATOM 87 O VAL A 7 -9.108 -1.510 3.125 1.00 0.00 O ATOM 88 CB VAL A 7 -6.135 -1.001 3.389 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.271 0.306 4.156 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.676 -1.421 3.308 1.00 0.00 C ATOM 0 H VAL A 7 -7.156 -3.320 2.355 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.596 -2.284 5.060 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.506 -0.847 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.670 1.076 3.673 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.316 0.615 4.166 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.925 0.165 5.180 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.095 -0.629 2.835 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.293 -1.602 4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.592 -2.334 2.718 1.00 0.00 H new ATOM 100 N GLU A 8 -8.895 -1.400 5.362 1.00 0.00 N ATOM 101 CA GLU A 8 -10.283 -1.016 5.587 1.00 0.00 C ATOM 102 C GLU A 8 -10.541 0.404 5.091 1.00 0.00 C ATOM 103 O GLU A 8 -11.614 0.705 4.566 1.00 0.00 O ATOM 104 CB GLU A 8 -10.639 -1.131 7.071 1.00 0.00 C ATOM 105 CG GLU A 8 -10.733 -2.560 7.586 1.00 0.00 C ATOM 106 CD GLU A 8 -11.822 -3.323 6.884 1.00 0.00 C ATOM 107 OE1 GLU A 8 -12.937 -2.859 6.877 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.520 -4.312 6.259 1.00 0.00 O ATOM 0 H GLU A 8 -8.332 -1.462 6.210 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.918 -1.698 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.890 -0.596 7.654 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.593 -0.632 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.779 -3.066 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.926 -2.550 8.659 1.00 0.00 H new ATOM 115 N ASP A 9 -9.552 1.273 5.262 1.00 0.00 N ATOM 116 CA ASP A 9 -9.721 2.692 4.974 1.00 0.00 C ATOM 117 C ASP A 9 -9.812 2.935 3.471 1.00 0.00 C ATOM 118 O ASP A 9 -10.281 3.983 3.028 1.00 0.00 O ATOM 119 CB ASP A 9 -8.569 3.504 5.572 1.00 0.00 C ATOM 120 CG ASP A 9 -8.609 3.631 7.089 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.623 3.314 7.665 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.583 3.891 7.671 1.00 0.00 O ATOM 0 H ASP A 9 -8.623 1.019 5.599 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.654 3.019 5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.626 3.040 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.580 4.503 5.136 1.00 0.00 H new ATOM 127 N MET A 10 -9.359 1.959 2.691 1.00 0.00 N ATOM 128 CA MET A 10 -9.445 2.040 1.237 1.00 0.00 C ATOM 129 C MET A 10 -10.878 1.820 0.764 1.00 0.00 C ATOM 130 O MET A 10 -11.424 0.723 0.891 1.00 0.00 O ATOM 131 CB MET A 10 -8.510 1.018 0.594 1.00 0.00 C ATOM 132 CG MET A 10 -7.032 1.366 0.692 1.00 0.00 C ATOM 133 SD MET A 10 -5.969 0.100 -0.029 1.00 0.00 S ATOM 134 CE MET A 10 -6.332 0.305 -1.770 1.00 0.00 C ATOM 0 H MET A 10 -8.929 1.103 3.041 1.00 0.00 H new ATOM 0 HA MET A 10 -9.136 3.040 0.932 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.674 0.048 1.064 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.776 0.912 -0.458 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.852 2.316 0.188 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.765 1.506 1.739 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.738 -0.625 -2.169 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.062 1.104 -1.898 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.417 0.561 -2.305 1.00 0.00 H new ATOM 144 N THR A 11 -11.484 2.871 0.218 1.00 0.00 N ATOM 145 CA THR A 11 -12.836 2.779 -0.319 1.00 0.00 C ATOM 146 C THR A 11 -12.928 3.431 -1.693 1.00 0.00 C ATOM 147 O THR A 11 -13.917 3.258 -2.407 1.00 0.00 O ATOM 148 CB THR A 11 -13.863 3.437 0.621 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.563 4.832 0.758 1.00 0.00 O ATOM 150 CG2 THR A 11 -13.830 2.779 1.992 1.00 0.00 C ATOM 0 H THR A 11 -11.060 3.795 0.136 1.00 0.00 H new ATOM 0 HA THR A 11 -13.067 1.718 -0.408 1.00 0.00 H new ATOM 0 HB THR A 11 -14.858 3.312 0.193 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.218 5.250 1.355 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.562 3.257 2.643 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.069 1.720 1.893 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.835 2.888 2.424 1.00 0.00 H new ATOM 158 N CYS A 12 -11.893 4.178 -2.059 1.00 0.00 N ATOM 159 CA CYS A 12 -11.876 4.890 -3.332 1.00 0.00 C ATOM 160 C CYS A 12 -10.444 5.141 -3.795 1.00 0.00 C ATOM 161 O CYS A 12 -9.489 4.866 -3.070 1.00 0.00 O ATOM 162 CB CYS A 12 -12.573 6.207 -2.993 1.00 0.00 C ATOM 163 SG CYS A 12 -11.707 7.222 -1.772 1.00 0.00 S ATOM 0 H CYS A 12 -11.055 4.307 -1.493 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.357 4.340 -4.141 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.693 6.786 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.574 5.988 -2.621 1.00 0.00 H new ATOM 0 HG CYS A 12 -10.892 6.476 -1.087 1.00 0.00 H new ATOM 169 N GLY A 13 -10.303 5.666 -5.009 1.00 0.00 N ATOM 170 CA GLY A 13 -8.988 5.828 -5.600 1.00 0.00 C ATOM 171 C GLY A 13 -8.137 6.837 -4.853 1.00 0.00 C ATOM 172 O GLY A 13 -6.923 6.897 -5.043 1.00 0.00 O ATOM 0 H GLY A 13 -11.077 5.982 -5.593 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.477 4.865 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.096 6.145 -6.637 1.00 0.00 H new ATOM 176 N HIS A 14 -8.777 7.632 -4.001 1.00 0.00 N ATOM 177 CA HIS A 14 -8.071 8.648 -3.228 1.00 0.00 C ATOM 178 C HIS A 14 -7.265 8.008 -2.100 1.00 0.00 C ATOM 179 O HIS A 14 -6.401 8.649 -1.501 1.00 0.00 O ATOM 180 CB HIS A 14 -9.054 9.675 -2.656 1.00 0.00 C ATOM 181 CG HIS A 14 -9.732 10.505 -3.701 1.00 0.00 C ATOM 182 ND1 HIS A 14 -9.079 11.499 -4.399 1.00 0.00 N ATOM 183 CD2 HIS A 14 -11.003 10.491 -4.165 1.00 0.00 C ATOM 184 CE1 HIS A 14 -9.921 12.060 -5.250 1.00 0.00 C ATOM 185 NE2 HIS A 14 -11.094 11.467 -5.127 1.00 0.00 N ATOM 0 H HIS A 14 -9.782 7.592 -3.829 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.382 9.161 -3.899 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.811 9.153 -2.071 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.520 10.334 -1.971 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.797 9.835 -3.840 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.689 12.866 -5.930 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.933 11.697 -5.660 1.00 0.00 H new ATOM 192 N CYS A 15 -7.555 6.743 -1.817 1.00 0.00 N ATOM 193 CA CYS A 15 -6.797 5.989 -0.825 1.00 0.00 C ATOM 194 C CYS A 15 -5.688 5.179 -1.488 1.00 0.00 C ATOM 195 O CYS A 15 -4.561 5.129 -0.996 1.00 0.00 O ATOM 196 CB CYS A 15 -7.854 5.065 -0.221 1.00 0.00 C ATOM 197 SG CYS A 15 -9.250 5.923 0.546 1.00 0.00 S ATOM 0 H CYS A 15 -8.309 6.218 -2.260 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.302 6.622 -0.089 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.233 4.407 -1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.379 4.430 0.527 1.00 0.00 H new ATOM 0 HG CYS A 15 -8.859 6.487 1.650 1.00 0.00 H new ATOM 203 N ALA A 16 -6.016 4.544 -2.608 1.00 0.00 N ATOM 204 CA ALA A 16 -5.054 3.719 -3.329 1.00 0.00 C ATOM 205 C ALA A 16 -3.889 4.556 -3.845 1.00 0.00 C ATOM 206 O ALA A 16 -2.735 4.135 -3.788 1.00 0.00 O ATOM 207 CB ALA A 16 -5.737 2.995 -4.480 1.00 0.00 C ATOM 0 H ALA A 16 -6.941 4.585 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.655 2.980 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.007 2.383 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.530 2.357 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.164 3.725 -5.167 1.00 0.00 H new ATOM 213 N GLY A 17 -4.199 5.746 -4.350 1.00 0.00 N ATOM 214 CA GLY A 17 -3.174 6.603 -4.915 1.00 0.00 C ATOM 215 C GLY A 17 -2.152 7.042 -3.885 1.00 0.00 C ATOM 216 O GLY A 17 -0.952 7.053 -4.156 1.00 0.00 O ATOM 0 H GLY A 17 -5.143 6.132 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.667 6.074 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.643 7.483 -5.355 1.00 0.00 H new ATOM 220 N VAL A 18 -2.629 7.407 -2.699 1.00 0.00 N ATOM 221 CA VAL A 18 -1.753 7.888 -1.638 1.00 0.00 C ATOM 222 C VAL A 18 -0.835 6.778 -1.136 1.00 0.00 C ATOM 223 O VAL A 18 0.354 6.998 -0.908 1.00 0.00 O ATOM 224 CB VAL A 18 -2.559 8.452 -0.453 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.633 8.800 0.703 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.356 9.674 -0.883 1.00 0.00 C ATOM 0 H VAL A 18 -3.618 7.379 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.149 8.688 -2.067 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.258 7.686 -0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.219 9.197 1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.105 7.904 1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.911 9.549 0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.919 10.059 -0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.675 10.444 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.046 9.396 -1.680 1.00 0.00 H new ATOM 236 N ILE A 19 -1.398 5.587 -0.966 1.00 0.00 N ATOM 237 CA ILE A 19 -0.622 4.433 -0.528 1.00 0.00 C ATOM 238 C ILE A 19 0.475 4.094 -1.531 1.00 0.00 C ATOM 239 O ILE A 19 1.618 3.838 -1.154 1.00 0.00 O ATOM 240 CB ILE A 19 -1.517 3.197 -0.321 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.450 3.407 0.875 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.667 1.951 -0.123 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.538 2.365 0.991 1.00 0.00 C ATOM 0 H ILE A 19 -2.387 5.396 -1.125 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.167 4.703 0.425 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.127 3.058 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.858 3.404 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.910 4.392 0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.316 1.087 0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.043 1.793 -1.003 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.032 2.079 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.157 2.581 1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.155 2.382 0.093 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.087 1.379 1.103 1.00 0.00 H new ATOM 255 N LYS A 20 0.119 4.094 -2.811 1.00 0.00 N ATOM 256 CA LYS A 20 1.073 3.794 -3.871 1.00 0.00 C ATOM 257 C LYS A 20 2.215 4.805 -3.878 1.00 0.00 C ATOM 258 O LYS A 20 3.379 4.441 -4.041 1.00 0.00 O ATOM 259 CB LYS A 20 0.375 3.775 -5.232 1.00 0.00 C ATOM 260 CG LYS A 20 1.294 3.464 -6.406 1.00 0.00 C ATOM 261 CD LYS A 20 0.502 3.017 -7.625 1.00 0.00 C ATOM 262 CE LYS A 20 1.404 2.844 -8.839 1.00 0.00 C ATOM 263 NZ LYS A 20 2.423 1.780 -8.627 1.00 0.00 N ATOM 0 H LYS A 20 -0.825 4.299 -3.139 1.00 0.00 H new ATOM 0 HA LYS A 20 1.491 2.806 -3.678 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.425 3.035 -5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.094 4.745 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.881 4.348 -6.655 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.999 2.683 -6.122 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.003 2.076 -7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.273 3.751 -7.847 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.797 2.597 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.904 3.788 -9.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.868 1.540 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.149 2.122 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.965 0.934 -8.232 1.00 0.00 H new ATOM 277 N GLY A 21 1.874 6.078 -3.697 1.00 0.00 N ATOM 278 CA GLY A 21 2.887 7.116 -3.642 1.00 0.00 C ATOM 279 C GLY A 21 3.803 6.969 -2.443 1.00 0.00 C ATOM 280 O GLY A 21 5.013 7.161 -2.551 1.00 0.00 O ATOM 0 H GLY A 21 0.915 6.408 -3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.482 7.088 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.402 8.091 -3.607 1.00 0.00 H new ATOM 284 N ALA A 22 3.224 6.628 -1.296 1.00 0.00 N ATOM 285 CA ALA A 22 3.993 6.475 -0.067 1.00 0.00 C ATOM 286 C ALA A 22 4.994 5.330 -0.185 1.00 0.00 C ATOM 287 O ALA A 22 6.145 5.454 0.235 1.00 0.00 O ATOM 288 CB ALA A 22 3.063 6.245 1.113 1.00 0.00 C ATOM 0 H ALA A 22 2.225 6.452 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 22 4.551 7.396 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.652 6.133 2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.391 7.097 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.479 5.340 0.945 1.00 0.00 H new ATOM 294 N ILE A 23 4.548 4.217 -0.759 1.00 0.00 N ATOM 295 CA ILE A 23 5.404 3.049 -0.927 1.00 0.00 C ATOM 296 C ILE A 23 6.560 3.347 -1.875 1.00 0.00 C ATOM 297 O ILE A 23 7.718 3.075 -1.562 1.00 0.00 O ATOM 298 CB ILE A 23 4.612 1.841 -1.458 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.633 1.334 -0.396 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.560 0.731 -1.886 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.647 0.312 -0.912 1.00 0.00 C ATOM 0 H ILE A 23 3.599 4.100 -1.115 1.00 0.00 H new ATOM 0 HA ILE A 23 5.801 2.804 0.058 1.00 0.00 H new ATOM 0 HB ILE A 23 4.039 2.158 -2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.199 0.896 0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.083 2.182 0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.984 -0.116 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.218 1.098 -2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.159 0.414 -1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.988 0.001 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.054 0.751 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.187 -0.555 -1.293 1.00 0.00 H new ATOM 313 N GLU A 24 6.235 3.908 -3.036 1.00 0.00 N ATOM 314 CA GLU A 24 7.237 4.167 -4.065 1.00 0.00 C ATOM 315 C GLU A 24 8.252 5.202 -3.587 1.00 0.00 C ATOM 316 O GLU A 24 9.435 5.125 -3.917 1.00 0.00 O ATOM 317 CB GLU A 24 6.569 4.639 -5.358 1.00 0.00 C ATOM 318 CG GLU A 24 5.780 3.561 -6.088 1.00 0.00 C ATOM 319 CD GLU A 24 5.045 4.129 -7.271 1.00 0.00 C ATOM 320 OE1 GLU A 24 5.101 5.319 -7.466 1.00 0.00 O ATOM 321 OE2 GLU A 24 4.520 3.361 -8.043 1.00 0.00 O ATOM 0 H GLU A 24 5.288 4.191 -3.288 1.00 0.00 H new ATOM 0 HA GLU A 24 7.765 3.235 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.900 5.467 -5.125 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.336 5.027 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.457 2.774 -6.421 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.069 3.100 -5.402 1.00 0.00 H new ATOM 328 N LYS A 25 7.779 6.171 -2.811 1.00 0.00 N ATOM 329 CA LYS A 25 8.636 7.241 -2.315 1.00 0.00 C ATOM 330 C LYS A 25 9.651 6.704 -1.311 1.00 0.00 C ATOM 331 O LYS A 25 10.831 7.053 -1.357 1.00 0.00 O ATOM 332 CB LYS A 25 7.798 8.350 -1.676 1.00 0.00 C ATOM 333 CG LYS A 25 8.601 9.556 -1.208 1.00 0.00 C ATOM 334 CD LYS A 25 7.689 10.688 -0.760 1.00 0.00 C ATOM 335 CE LYS A 25 8.491 11.882 -0.263 1.00 0.00 C ATOM 336 NZ LYS A 25 7.611 12.986 0.208 1.00 0.00 N ATOM 0 H LYS A 25 6.806 6.237 -2.512 1.00 0.00 H new ATOM 0 HA LYS A 25 9.178 7.658 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.050 8.684 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.258 7.936 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.253 9.264 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.244 9.903 -2.016 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.053 10.995 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.030 10.335 0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.145 11.567 0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.133 12.247 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.196 13.780 0.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.005 13.305 -0.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.016 12.646 0.990 1.00 0.00 H new ATOM 350 N THR A 26 9.185 5.852 -0.403 1.00 0.00 N ATOM 351 CA THR A 26 10.018 5.369 0.691 1.00 0.00 C ATOM 352 C THR A 26 10.761 4.098 0.297 1.00 0.00 C ATOM 353 O THR A 26 11.759 3.733 0.918 1.00 0.00 O ATOM 354 CB THR A 26 9.185 5.094 1.957 1.00 0.00 C ATOM 355 OG1 THR A 26 8.214 4.077 1.681 1.00 0.00 O ATOM 356 CG2 THR A 26 8.474 6.359 2.412 1.00 0.00 C ATOM 0 H THR A 26 8.234 5.482 -0.404 1.00 0.00 H new ATOM 0 HA THR A 26 10.740 6.156 0.907 1.00 0.00 H new ATOM 0 HB THR A 26 9.855 4.761 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.464 4.467 1.185 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.890 6.146 3.308 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.211 7.131 2.634 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.810 6.708 1.621 1.00 0.00 H new ATOM 364 N VAL A 27 10.268 3.427 -0.740 1.00 0.00 N ATOM 365 CA VAL A 27 10.919 2.229 -1.255 1.00 0.00 C ATOM 366 C VAL A 27 11.157 2.334 -2.757 1.00 0.00 C ATOM 367 O VAL A 27 10.229 2.261 -3.563 1.00 0.00 O ATOM 368 CB VAL A 27 10.088 0.965 -0.963 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.794 -0.272 -1.498 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.834 0.828 0.531 1.00 0.00 C ATOM 0 H VAL A 27 9.420 3.693 -1.240 1.00 0.00 H new ATOM 0 HA VAL A 27 11.878 2.148 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 27 9.127 1.060 -1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.193 -1.156 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.927 -0.177 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.768 -0.371 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.246 -0.070 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.786 0.755 1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.288 1.701 0.889 1.00 0.00 H new ATOM 380 N PRO A 28 12.428 2.509 -3.143 1.00 0.00 N ATOM 381 CA PRO A 28 12.813 2.674 -4.548 1.00 0.00 C ATOM 382 C PRO A 28 12.653 1.386 -5.348 1.00 0.00 C ATOM 383 O PRO A 28 13.048 0.311 -4.898 1.00 0.00 O ATOM 384 CB PRO A 28 14.276 3.123 -4.479 1.00 0.00 C ATOM 385 CG PRO A 28 14.769 2.586 -3.179 1.00 0.00 C ATOM 386 CD PRO A 28 13.595 2.674 -2.240 1.00 0.00 C ATOM 0 HA PRO A 28 12.178 3.392 -5.066 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.852 2.728 -5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 28 14.360 4.209 -4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 28 15.112 1.557 -3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.613 3.167 -2.808 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.629 1.895 -1.478 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.568 3.630 -1.717 1.00 0.00 H new ATOM 394 N GLY A 29 12.071 1.501 -6.538 1.00 0.00 N ATOM 395 CA GLY A 29 11.889 0.341 -7.391 1.00 0.00 C ATOM 396 C GLY A 29 10.762 -0.556 -6.916 1.00 0.00 C ATOM 397 O GLY A 29 10.706 -1.732 -7.268 1.00 0.00 O ATOM 0 H GLY A 29 11.722 2.377 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.682 0.671 -8.409 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.816 -0.231 -7.424 1.00 0.00 H new ATOM 401 N ALA A 30 9.863 0.002 -6.112 1.00 0.00 N ATOM 402 CA ALA A 30 8.738 -0.757 -5.580 1.00 0.00 C ATOM 403 C ALA A 30 7.607 -0.849 -6.600 1.00 0.00 C ATOM 404 O ALA A 30 7.230 0.148 -7.214 1.00 0.00 O ATOM 405 CB ALA A 30 8.238 -0.126 -4.290 1.00 0.00 C ATOM 0 H ALA A 30 9.892 0.977 -5.815 1.00 0.00 H new ATOM 0 HA ALA A 30 9.083 -1.769 -5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.398 -0.703 -3.904 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.042 -0.118 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.916 0.897 -4.486 1.00 0.00 H new ATOM 411 N ALA A 31 7.069 -2.052 -6.773 1.00 0.00 N ATOM 412 CA ALA A 31 5.891 -2.249 -7.609 1.00 0.00 C ATOM 413 C ALA A 31 4.624 -2.324 -6.763 1.00 0.00 C ATOM 414 O ALA A 31 4.505 -3.173 -5.880 1.00 0.00 O ATOM 415 CB ALA A 31 6.044 -3.509 -8.447 1.00 0.00 C ATOM 0 H ALA A 31 7.430 -2.905 -6.345 1.00 0.00 H new ATOM 0 HA ALA A 31 5.801 -1.391 -8.276 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.157 -3.644 -9.066 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.922 -3.417 -9.086 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.162 -4.371 -7.790 1.00 0.00 H new ATOM 421 N VAL A 32 3.681 -1.427 -7.038 1.00 0.00 N ATOM 422 CA VAL A 32 2.433 -1.377 -6.286 1.00 0.00 C ATOM 423 C VAL A 32 1.229 -1.526 -7.209 1.00 0.00 C ATOM 424 O VAL A 32 1.035 -0.729 -8.128 1.00 0.00 O ATOM 425 CB VAL A 32 2.302 -0.062 -5.495 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.992 -0.033 -4.722 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.481 0.111 -4.549 1.00 0.00 C ATOM 0 H VAL A 32 3.758 -0.726 -7.775 1.00 0.00 H new ATOM 0 HA VAL A 32 2.455 -2.211 -5.584 1.00 0.00 H new ATOM 0 HB VAL A 32 2.303 0.767 -6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.916 0.903 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.157 -0.112 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.963 -0.870 -4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.372 1.045 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.510 -0.723 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.407 0.134 -5.123 1.00 0.00 H new ATOM 437 N HIS A 33 0.422 -2.552 -6.960 1.00 0.00 N ATOM 438 CA HIS A 33 -0.877 -2.680 -7.611 1.00 0.00 C ATOM 439 C HIS A 33 -2.006 -2.623 -6.587 1.00 0.00 C ATOM 440 O HIS A 33 -2.255 -3.592 -5.870 1.00 0.00 O ATOM 441 CB HIS A 33 -0.957 -3.984 -8.411 1.00 0.00 C ATOM 442 CG HIS A 33 0.093 -4.105 -9.472 1.00 0.00 C ATOM 443 ND1 HIS A 33 0.004 -3.450 -10.683 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.252 -4.803 -9.504 1.00 0.00 C ATOM 445 CE1 HIS A 33 1.066 -3.741 -11.414 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.837 -4.560 -10.723 1.00 0.00 N ATOM 0 H HIS A 33 0.645 -3.307 -6.312 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.990 -1.842 -8.298 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.867 -4.827 -7.725 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.940 -4.055 -8.876 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.643 -5.433 -8.719 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.269 -3.371 -12.408 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.724 -4.950 -11.043 1.00 0.00 H new ATOM 453 N ALA A 34 -2.685 -1.482 -6.524 1.00 0.00 N ATOM 454 CA ALA A 34 -3.679 -1.241 -5.485 1.00 0.00 C ATOM 455 C ALA A 34 -5.087 -1.215 -6.068 1.00 0.00 C ATOM 456 O ALA A 34 -5.315 -0.649 -7.137 1.00 0.00 O ATOM 457 CB ALA A 34 -3.380 0.063 -4.761 1.00 0.00 C ATOM 0 H ALA A 34 -2.565 -0.710 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.626 -2.061 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.130 0.230 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.393 0.006 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.403 0.888 -5.473 1.00 0.00 H new ATOM 463 N ASP A 35 -6.028 -1.830 -5.360 1.00 0.00 N ATOM 464 CA ASP A 35 -7.424 -1.827 -5.779 1.00 0.00 C ATOM 465 C ASP A 35 -8.339 -1.456 -4.616 1.00 0.00 C ATOM 466 O ASP A 35 -8.582 -2.249 -3.707 1.00 0.00 O ATOM 467 CB ASP A 35 -7.819 -3.193 -6.345 1.00 0.00 C ATOM 468 CG ASP A 35 -9.261 -3.283 -6.824 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.020 -2.389 -6.533 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.554 -4.158 -7.604 1.00 0.00 O ATOM 0 H ASP A 35 -5.849 -2.337 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.539 -1.077 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.157 -3.433 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.656 -3.951 -5.579 1.00 0.00 H new ATOM 475 N PRO A 36 -8.859 -0.219 -4.643 1.00 0.00 N ATOM 476 CA PRO A 36 -9.698 0.311 -3.565 1.00 0.00 C ATOM 477 C PRO A 36 -11.122 -0.233 -3.619 1.00 0.00 C ATOM 478 O PRO A 36 -11.828 -0.251 -2.611 1.00 0.00 O ATOM 479 CB PRO A 36 -9.693 1.820 -3.820 1.00 0.00 C ATOM 480 CG PRO A 36 -9.462 1.956 -5.286 1.00 0.00 C ATOM 481 CD PRO A 36 -8.552 0.822 -5.668 1.00 0.00 C ATOM 0 HA PRO A 36 -9.323 0.030 -2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.639 2.275 -3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.909 2.316 -3.248 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.402 1.904 -5.836 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.007 2.918 -5.522 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.755 0.465 -6.678 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.504 1.119 -5.639 1.00 0.00 H new ATOM 489 N ALA A 37 -11.537 -0.677 -4.801 1.00 0.00 N ATOM 490 CA ALA A 37 -12.801 -1.387 -4.949 1.00 0.00 C ATOM 491 C ALA A 37 -12.744 -2.756 -4.278 1.00 0.00 C ATOM 492 O ALA A 37 -13.737 -3.228 -3.724 1.00 0.00 O ATOM 493 CB ALA A 37 -13.154 -1.534 -6.422 1.00 0.00 C ATOM 0 H ALA A 37 -11.016 -0.557 -5.670 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.578 -0.802 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.100 -2.066 -6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.245 -0.547 -6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.369 -2.095 -6.930 1.00 0.00 H new ATOM 499 N SER A 38 -11.576 -3.387 -4.330 1.00 0.00 N ATOM 500 CA SER A 38 -11.345 -4.631 -3.604 1.00 0.00 C ATOM 501 C SER A 38 -10.711 -4.355 -2.244 1.00 0.00 C ATOM 502 O SER A 38 -10.532 -5.265 -1.435 1.00 0.00 O ATOM 503 CB SER A 38 -10.468 -5.559 -4.421 1.00 0.00 C ATOM 504 OG SER A 38 -11.067 -5.915 -5.637 1.00 0.00 O ATOM 0 H SER A 38 -10.774 -3.058 -4.867 1.00 0.00 H new ATOM 0 HA SER A 38 -12.307 -5.116 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.511 -5.074 -4.617 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.257 -6.459 -3.844 1.00 0.00 H new ATOM 0 HG SER A 38 -10.585 -5.489 -6.376 1.00 0.00 H new ATOM 510 N ARG A 39 -10.374 -3.093 -1.999 1.00 0.00 N ATOM 511 CA ARG A 39 -9.858 -2.678 -0.701 1.00 0.00 C ATOM 512 C ARG A 39 -8.572 -3.425 -0.361 1.00 0.00 C ATOM 513 O ARG A 39 -8.270 -3.666 0.807 1.00 0.00 O ATOM 514 CB ARG A 39 -10.896 -2.819 0.403 1.00 0.00 C ATOM 515 CG ARG A 39 -12.280 -2.298 0.050 1.00 0.00 C ATOM 516 CD ARG A 39 -13.323 -2.595 1.064 1.00 0.00 C ATOM 517 NE ARG A 39 -13.163 -1.881 2.321 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.681 -2.279 3.499 1.00 0.00 C ATOM 519 NH1 ARG A 39 -14.422 -3.362 3.581 1.00 0.00 N ATOM 520 NH2 ARG A 39 -13.444 -1.539 4.567 1.00 0.00 N ATOM 0 H ARG A 39 -10.449 -2.340 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.621 -1.616 -0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.978 -3.872 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.539 -2.290 1.287 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.224 -1.219 -0.091 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.585 -2.728 -0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.299 -2.352 0.644 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.321 -3.666 1.266 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.620 -1.018 2.310 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.612 -3.914 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.807 -3.650 4.481 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.882 -0.692 4.486 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.823 -1.815 5.473 1.00 0.00 H new ATOM 534 N THR A 40 -7.817 -3.791 -1.394 1.00 0.00 N ATOM 535 CA THR A 40 -6.656 -4.654 -1.222 1.00 0.00 C ATOM 536 C THR A 40 -5.461 -4.132 -2.013 1.00 0.00 C ATOM 537 O THR A 40 -5.610 -3.658 -3.139 1.00 0.00 O ATOM 538 CB THR A 40 -6.957 -6.100 -1.659 1.00 0.00 C ATOM 539 OG1 THR A 40 -8.077 -6.602 -0.918 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.751 -6.993 -1.415 1.00 0.00 C ATOM 0 H THR A 40 -7.990 -3.503 -2.357 1.00 0.00 H new ATOM 0 HA THR A 40 -6.415 -4.649 -0.159 1.00 0.00 H new ATOM 0 HB THR A 40 -7.187 -6.101 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.883 -6.100 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.982 -8.011 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.901 -6.621 -1.987 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.504 -6.989 -0.353 1.00 0.00 H new ATOM 548 N VAL A 41 -4.277 -4.223 -1.417 1.00 0.00 N ATOM 549 CA VAL A 41 -3.055 -3.769 -2.070 1.00 0.00 C ATOM 550 C VAL A 41 -2.101 -4.931 -2.321 1.00 0.00 C ATOM 551 O VAL A 41 -1.808 -5.715 -1.417 1.00 0.00 O ATOM 552 CB VAL A 41 -2.333 -2.695 -1.236 1.00 0.00 C ATOM 553 CG1 VAL A 41 -1.061 -2.242 -1.937 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.252 -1.510 -0.983 1.00 0.00 C ATOM 0 H VAL A 41 -4.138 -4.607 -0.482 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.352 -3.334 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.060 -3.131 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.564 -1.483 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.395 -3.095 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.312 -1.824 -2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.725 -0.761 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.554 -1.074 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.136 -1.845 -0.440 1.00 0.00 H new ATOM 564 N VAL A 42 -1.619 -5.040 -3.555 1.00 0.00 N ATOM 565 CA VAL A 42 -0.599 -6.024 -3.895 1.00 0.00 C ATOM 566 C VAL A 42 0.768 -5.369 -4.049 1.00 0.00 C ATOM 567 O VAL A 42 0.931 -4.416 -4.811 1.00 0.00 O ATOM 568 CB VAL A 42 -0.948 -6.773 -5.195 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.154 -7.757 -5.555 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.280 -7.495 -5.054 1.00 0.00 C ATOM 0 H VAL A 42 -1.919 -4.458 -4.337 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.565 -6.739 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.035 -6.043 -5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.109 -8.277 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.091 -7.218 -5.698 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.272 -8.482 -4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.510 -8.018 -5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.219 -8.214 -4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.066 -6.770 -4.842 1.00 0.00 H new ATOM 580 N VAL A 43 1.752 -5.887 -3.319 1.00 0.00 N ATOM 581 CA VAL A 43 3.046 -5.226 -3.201 1.00 0.00 C ATOM 582 C VAL A 43 4.171 -6.130 -3.691 1.00 0.00 C ATOM 583 O VAL A 43 4.261 -7.294 -3.303 1.00 0.00 O ATOM 584 CB VAL A 43 3.335 -4.803 -1.748 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.693 -4.124 -1.652 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.241 -3.879 -1.235 1.00 0.00 C ATOM 0 H VAL A 43 1.677 -6.762 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 43 3.002 -4.334 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 43 3.351 -5.697 -1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.881 -3.832 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.469 -4.815 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.703 -3.238 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.461 -3.590 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.195 -2.988 -1.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.282 -4.396 -1.269 1.00 0.00 H new ATOM 596 N GLY A 44 5.031 -5.586 -4.547 1.00 0.00 N ATOM 597 CA GLY A 44 6.156 -6.348 -5.055 1.00 0.00 C ATOM 598 C GLY A 44 7.354 -6.300 -4.128 1.00 0.00 C ATOM 599 O GLY A 44 7.206 -6.153 -2.915 1.00 0.00 O ATOM 0 H GLY A 44 4.968 -4.630 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.853 -7.385 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.441 -5.961 -6.033 1.00 0.00 H new ATOM 603 N GLY A 45 8.549 -6.426 -4.700 1.00 0.00 N ATOM 604 CA GLY A 45 9.757 -6.449 -3.896 1.00 0.00 C ATOM 605 C GLY A 45 9.905 -5.208 -3.037 1.00 0.00 C ATOM 606 O GLY A 45 10.084 -4.104 -3.554 1.00 0.00 O ATOM 0 H GLY A 45 8.701 -6.512 -5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.747 -7.331 -3.256 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.624 -6.540 -4.551 1.00 0.00 H new ATOM 610 N VAL A 46 9.831 -5.388 -1.722 1.00 0.00 N ATOM 611 CA VAL A 46 9.954 -4.274 -0.791 1.00 0.00 C ATOM 612 C VAL A 46 10.699 -4.694 0.473 1.00 0.00 C ATOM 613 O VAL A 46 11.017 -5.869 0.655 1.00 0.00 O ATOM 614 CB VAL A 46 8.576 -3.708 -0.400 1.00 0.00 C ATOM 615 CG1 VAL A 46 7.900 -3.073 -1.606 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.698 -4.802 0.186 1.00 0.00 C ATOM 0 H VAL A 46 9.686 -6.295 -1.278 1.00 0.00 H new ATOM 0 HA VAL A 46 10.521 -3.497 -1.303 1.00 0.00 H new ATOM 0 HB VAL A 46 8.722 -2.939 0.359 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.927 -2.678 -1.312 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.521 -2.262 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.766 -3.823 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.728 -4.384 0.457 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.560 -5.592 -0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.176 -5.215 1.074 1.00 0.00 H new ATOM 626 N SER A 47 10.972 -3.727 1.341 1.00 0.00 N ATOM 627 CA SER A 47 11.602 -4.009 2.626 1.00 0.00 C ATOM 628 C SER A 47 10.713 -4.902 3.484 1.00 0.00 C ATOM 629 O SER A 47 9.620 -5.291 3.070 1.00 0.00 O ATOM 630 CB SER A 47 11.913 -2.716 3.353 1.00 0.00 C ATOM 631 OG SER A 47 10.751 -2.034 3.737 1.00 0.00 O ATOM 0 H SER A 47 10.767 -2.741 1.179 1.00 0.00 H new ATOM 0 HA SER A 47 12.536 -4.540 2.440 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.514 -2.933 4.236 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.513 -2.074 2.709 1.00 0.00 H new ATOM 0 HG SER A 47 10.982 -1.329 4.377 1.00 0.00 H new ATOM 637 N ASP A 48 11.188 -5.225 4.682 1.00 0.00 N ATOM 638 CA ASP A 48 10.493 -6.166 5.553 1.00 0.00 C ATOM 639 C ASP A 48 8.983 -5.962 5.477 1.00 0.00 C ATOM 640 O ASP A 48 8.495 -4.833 5.538 1.00 0.00 O ATOM 641 CB ASP A 48 10.975 -6.018 6.998 1.00 0.00 C ATOM 642 CG ASP A 48 10.321 -6.980 7.981 1.00 0.00 C ATOM 643 OD1 ASP A 48 9.443 -7.706 7.577 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.806 -7.095 9.081 1.00 0.00 O ATOM 0 H ASP A 48 12.052 -4.849 5.072 1.00 0.00 H new ATOM 0 HA ASP A 48 10.722 -7.175 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.054 -6.168 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.787 -4.996 7.328 1.00 0.00 H new ATOM 649 N ALA A 49 8.248 -7.060 5.344 1.00 0.00 N ATOM 650 CA ALA A 49 6.798 -6.999 5.210 1.00 0.00 C ATOM 651 C ALA A 49 6.173 -6.216 6.359 1.00 0.00 C ATOM 652 O ALA A 49 5.157 -5.545 6.185 1.00 0.00 O ATOM 653 CB ALA A 49 6.213 -8.402 5.146 1.00 0.00 C ATOM 0 H ALA A 49 8.633 -8.004 5.326 1.00 0.00 H new ATOM 0 HA ALA A 49 6.566 -6.478 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.129 -8.340 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.627 -8.930 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.463 -8.942 6.059 1.00 0.00 H new ATOM 659 N ALA A 50 6.788 -6.307 7.534 1.00 0.00 N ATOM 660 CA ALA A 50 6.365 -5.513 8.680 1.00 0.00 C ATOM 661 C ALA A 50 6.549 -4.023 8.414 1.00 0.00 C ATOM 662 O ALA A 50 5.699 -3.207 8.776 1.00 0.00 O ATOM 663 CB ALA A 50 7.138 -5.927 9.923 1.00 0.00 C ATOM 0 H ALA A 50 7.580 -6.923 7.717 1.00 0.00 H new ATOM 0 HA ALA A 50 5.304 -5.698 8.846 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.812 -5.326 10.771 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.953 -6.981 10.132 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.204 -5.772 9.757 1.00 0.00 H new ATOM 669 N HIS A 51 7.663 -3.672 7.778 1.00 0.00 N ATOM 670 CA HIS A 51 7.986 -2.274 7.517 1.00 0.00 C ATOM 671 C HIS A 51 7.029 -1.677 6.491 1.00 0.00 C ATOM 672 O HIS A 51 6.517 -0.572 6.675 1.00 0.00 O ATOM 673 CB HIS A 51 9.432 -2.134 7.030 1.00 0.00 C ATOM 674 CG HIS A 51 9.889 -0.713 6.904 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.864 -0.322 6.011 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.506 0.408 7.559 1.00 0.00 C ATOM 677 CE1 HIS A 51 11.060 0.981 6.121 1.00 0.00 C ATOM 678 NE2 HIS A 51 10.249 1.446 7.053 1.00 0.00 N ATOM 0 H HIS A 51 8.356 -4.336 7.434 1.00 0.00 H new ATOM 0 HA HIS A 51 7.877 -1.726 8.453 1.00 0.00 H new ATOM 0 HB2 HIS A 51 10.091 -2.659 7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.529 -2.625 6.062 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.757 0.474 8.334 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.764 1.565 5.546 1.00 0.00 H new ATOM 0 HE2 HIS A 51 10.185 2.420 7.350 1.00 0.00 H new ATOM 685 N ILE A 52 6.791 -2.414 5.411 1.00 0.00 N ATOM 686 CA ILE A 52 5.951 -1.927 4.324 1.00 0.00 C ATOM 687 C ILE A 52 4.497 -1.801 4.768 1.00 0.00 C ATOM 688 O ILE A 52 3.753 -0.962 4.260 1.00 0.00 O ATOM 689 CB ILE A 52 6.026 -2.851 3.095 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.427 -2.158 1.868 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.309 -4.163 3.371 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.172 -0.911 1.447 1.00 0.00 C ATOM 0 H ILE A 52 7.168 -3.351 5.266 1.00 0.00 H new ATOM 0 HA ILE A 52 6.330 -0.943 4.048 1.00 0.00 H new ATOM 0 HB ILE A 52 7.074 -3.069 2.890 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.415 -2.861 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.390 -1.896 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.372 -4.804 2.492 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.778 -4.663 4.219 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.262 -3.964 3.601 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.689 -0.476 0.572 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.162 -0.189 2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.203 -1.168 1.202 1.00 0.00 H new ATOM 704 N ALA A 53 4.101 -2.639 5.720 1.00 0.00 N ATOM 705 CA ALA A 53 2.789 -2.520 6.344 1.00 0.00 C ATOM 706 C ALA A 53 2.672 -1.217 7.129 1.00 0.00 C ATOM 707 O ALA A 53 1.622 -0.575 7.129 1.00 0.00 O ATOM 708 CB ALA A 53 2.527 -3.711 7.254 1.00 0.00 C ATOM 0 H ALA A 53 4.670 -3.407 6.076 1.00 0.00 H new ATOM 0 HA ALA A 53 2.038 -2.508 5.554 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.544 -3.609 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.560 -4.630 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.289 -3.749 8.033 1.00 0.00 H new ATOM 714 N GLU A 54 3.755 -0.834 7.797 1.00 0.00 N ATOM 715 CA GLU A 54 3.810 0.448 8.490 1.00 0.00 C ATOM 716 C GLU A 54 3.839 1.604 7.494 1.00 0.00 C ATOM 717 O GLU A 54 3.274 2.669 7.747 1.00 0.00 O ATOM 718 CB GLU A 54 5.033 0.510 9.408 1.00 0.00 C ATOM 719 CG GLU A 54 4.948 -0.393 10.631 1.00 0.00 C ATOM 720 CD GLU A 54 6.232 -0.377 11.412 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.164 0.255 10.975 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.248 -0.901 12.501 1.00 0.00 O ATOM 0 H GLU A 54 4.605 -1.392 7.873 1.00 0.00 H new ATOM 0 HA GLU A 54 2.911 0.541 9.099 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.918 0.239 8.832 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.171 1.539 9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.127 -0.067 11.270 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.723 -1.413 10.318 1.00 0.00 H new ATOM 729 N ILE A 55 4.504 1.388 6.364 1.00 0.00 N ATOM 730 CA ILE A 55 4.562 2.391 5.309 1.00 0.00 C ATOM 731 C ILE A 55 3.184 2.633 4.702 1.00 0.00 C ATOM 732 O ILE A 55 2.810 3.772 4.419 1.00 0.00 O ATOM 733 CB ILE A 55 5.540 1.980 4.193 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.983 2.034 4.701 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.367 2.877 2.977 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.983 1.390 3.768 1.00 0.00 C ATOM 0 H ILE A 55 5.010 0.527 6.156 1.00 0.00 H new ATOM 0 HA ILE A 55 4.918 3.312 5.770 1.00 0.00 H new ATOM 0 HB ILE A 55 5.317 0.955 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.264 3.075 4.857 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.035 1.540 5.671 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.066 2.573 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.347 2.790 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.564 3.912 3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.982 1.468 4.196 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.728 0.339 3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.961 1.898 2.804 1.00 0.00 H new ATOM 748 N ILE A 56 2.433 1.554 4.507 1.00 0.00 N ATOM 749 CA ILE A 56 1.045 1.660 4.073 1.00 0.00 C ATOM 750 C ILE A 56 0.197 2.389 5.109 1.00 0.00 C ATOM 751 O ILE A 56 -0.617 3.247 4.770 1.00 0.00 O ATOM 752 CB ILE A 56 0.431 0.275 3.802 1.00 0.00 C ATOM 753 CG1 ILE A 56 1.085 -0.368 2.576 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.073 0.388 3.610 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.757 -1.834 2.407 1.00 0.00 C ATOM 0 H ILE A 56 2.762 0.598 4.642 1.00 0.00 H new ATOM 0 HA ILE A 56 1.049 2.232 3.145 1.00 0.00 H new ATOM 0 HB ILE A 56 0.619 -0.363 4.666 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.769 0.171 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.166 -0.254 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.491 -0.601 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.524 0.805 4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.284 1.040 2.763 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.256 -2.218 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.099 -2.387 3.282 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.321 -1.956 2.299 1.00 0.00 H new ATOM 767 N THR A 57 0.395 2.042 6.378 1.00 0.00 N ATOM 768 CA THR A 57 -0.274 2.732 7.473 1.00 0.00 C ATOM 769 C THR A 57 0.159 4.192 7.548 1.00 0.00 C ATOM 770 O THR A 57 -0.622 5.061 7.936 1.00 0.00 O ATOM 771 CB THR A 57 0.008 2.052 8.826 1.00 0.00 C ATOM 772 OG1 THR A 57 -0.562 0.736 8.830 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.591 2.863 9.965 1.00 0.00 C ATOM 0 H THR A 57 1.014 1.286 6.672 1.00 0.00 H new ATOM 0 HA THR A 57 -1.344 2.683 7.270 1.00 0.00 H new ATOM 0 HB THR A 57 1.087 1.989 8.966 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.010 0.130 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.382 2.368 10.913 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.151 3.860 9.972 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.669 2.943 9.827 1.00 0.00 H new ATOM 781 N ALA A 58 1.406 4.455 7.175 1.00 0.00 N ATOM 782 CA ALA A 58 1.952 5.805 7.229 1.00 0.00 C ATOM 783 C ALA A 58 1.223 6.730 6.259 1.00 0.00 C ATOM 784 O ALA A 58 1.277 7.952 6.393 1.00 0.00 O ATOM 785 CB ALA A 58 3.442 5.785 6.924 1.00 0.00 C ATOM 0 H ALA A 58 2.058 3.750 6.832 1.00 0.00 H new ATOM 0 HA ALA A 58 1.805 6.190 8.238 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.836 6.800 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.955 5.164 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.604 5.376 5.927 1.00 0.00 H new ATOM 791 N ALA A 59 0.545 6.139 5.282 1.00 0.00 N ATOM 792 CA ALA A 59 -0.221 6.908 4.309 1.00 0.00 C ATOM 793 C ALA A 59 -1.540 7.388 4.904 1.00 0.00 C ATOM 794 O ALA A 59 -2.272 8.155 4.279 1.00 0.00 O ATOM 795 CB ALA A 59 -0.475 6.076 3.061 1.00 0.00 C ATOM 0 H ALA A 59 0.510 5.129 5.143 1.00 0.00 H new ATOM 0 HA ALA A 59 0.364 7.786 4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.048 6.663 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.477 5.787 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.037 5.181 3.329 1.00 0.00 H new ATOM 801 N GLY A 60 -1.837 6.932 6.117 1.00 0.00 N ATOM 802 CA GLY A 60 -3.072 7.322 6.775 1.00 0.00 C ATOM 803 C GLY A 60 -4.213 6.371 6.476 1.00 0.00 C ATOM 804 O GLY A 60 -5.337 6.577 6.935 1.00 0.00 O ATOM 0 H GLY A 60 -1.245 6.300 6.656 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.909 7.362 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.348 8.327 6.457 1.00 0.00 H new ATOM 808 N TYR A 61 -3.926 5.328 5.705 1.00 0.00 N ATOM 809 CA TYR A 61 -4.934 4.333 5.359 1.00 0.00 C ATOM 810 C TYR A 61 -4.523 2.948 5.848 1.00 0.00 C ATOM 811 O TYR A 61 -3.588 2.342 5.321 1.00 0.00 O ATOM 812 CB TYR A 61 -5.169 4.310 3.847 1.00 0.00 C ATOM 813 CG TYR A 61 -5.577 5.648 3.270 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.902 6.058 3.295 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.638 6.495 2.701 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.281 7.278 2.769 1.00 0.00 C ATOM 817 CE2 TYR A 61 -5.006 7.718 2.173 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.330 8.105 2.209 1.00 0.00 C ATOM 819 OH TYR A 61 -6.702 9.321 1.683 1.00 0.00 O ATOM 0 H TYR A 61 -3.004 5.150 5.308 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.864 4.610 5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.257 3.975 3.352 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.943 3.576 3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.649 5.413 3.733 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.601 6.194 2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.317 7.583 2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.262 8.367 1.735 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.646 9.285 0.705 1.00 0.00 H new ATOM 829 N THR A 62 -5.227 2.451 6.859 1.00 0.00 N ATOM 830 CA THR A 62 -4.839 1.214 7.526 1.00 0.00 C ATOM 831 C THR A 62 -6.059 0.477 8.069 1.00 0.00 C ATOM 832 O THR A 62 -7.022 1.084 8.539 1.00 0.00 O ATOM 833 CB THR A 62 -3.855 1.478 8.679 1.00 0.00 C ATOM 834 OG1 THR A 62 -3.427 0.231 9.241 1.00 0.00 O ATOM 835 CG2 THR A 62 -4.515 2.318 9.762 1.00 0.00 C ATOM 0 H THR A 62 -6.070 2.886 7.235 1.00 0.00 H new ATOM 0 HA THR A 62 -4.346 0.594 6.777 1.00 0.00 H new ATOM 0 HB THR A 62 -2.996 2.021 8.286 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.448 0.182 9.221 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.804 2.495 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.830 3.273 9.341 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.384 1.789 10.153 1.00 0.00 H new ATOM 843 N PRO A 63 -6.019 -0.862 8.006 1.00 0.00 N ATOM 844 CA PRO A 63 -7.070 -1.712 8.571 1.00 0.00 C ATOM 845 C PRO A 63 -7.091 -1.673 10.095 1.00 0.00 C ATOM 846 O PRO A 63 -8.071 -2.074 10.722 1.00 0.00 O ATOM 847 CB PRO A 63 -6.737 -3.111 8.042 1.00 0.00 C ATOM 848 CG PRO A 63 -5.261 -3.087 7.834 1.00 0.00 C ATOM 849 CD PRO A 63 -4.946 -1.690 7.370 1.00 0.00 C ATOM 0 HA PRO A 63 -8.067 -1.380 8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.025 -3.884 8.754 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.266 -3.321 7.112 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.730 -3.324 8.756 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.957 -3.825 7.092 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.953 -1.375 7.690 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.970 -1.613 6.283 1.00 0.00 H new ATOM 857 N GLU A 64 -6.003 -1.187 10.685 1.00 0.00 N ATOM 858 CA GLU A 64 -5.905 -1.078 12.136 1.00 0.00 C ATOM 859 C GLU A 64 -6.923 -0.078 12.676 1.00 0.00 C ATOM 860 O GLU A 64 -7.758 -0.419 13.513 1.00 0.00 O ATOM 861 CB GLU A 64 -4.490 -0.668 12.549 1.00 0.00 C ATOM 862 CG GLU A 64 -4.264 -0.621 14.054 1.00 0.00 C ATOM 863 CD GLU A 64 -2.840 -0.268 14.381 1.00 0.00 C ATOM 864 OE1 GLU A 64 -2.066 -0.094 13.470 1.00 0.00 O ATOM 865 OE2 GLU A 64 -2.551 -0.060 15.536 1.00 0.00 O ATOM 866 OXT GLU A 64 -6.915 1.056 12.284 1.00 0.00 O ATOM 0 H GLU A 64 -5.178 -0.863 10.181 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.125 -2.056 12.564 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.779 -1.367 12.109 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.272 0.314 12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.935 0.112 14.502 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.511 -1.588 14.491 1.00 0.00 H new TER 873 GLU A 64