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 47 SER OG : rot 161:sc= 1.33 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 1.07 K(o=2.4,f=-4.6!) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 0.584 K(o=2,f=-2.9!) USER MOD Set 2.2: A 40 THR OG1 : rot 64:sc= 1.41 USER MOD Set 3.1: A 12 CYS SG : rot 180:sc= -0.671 USER MOD Set 3.2: A 14 HIS : no HD1:sc= 0 X(o=-0.44,f=-0.45) USER MOD Set 3.3: A 15 CYS SG : rot 83:sc= 0.209 USER MOD Set 3.4: A 61 TYR OH : rot -40:sc= 0.0172 USER MOD Single : A 1 ALA N :NH3+ 175:sc= 0 (180deg=-0.0279) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -141:sc= 0 (180deg=-0.73) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -73:sc= 0.209 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 104:sc= 0.102 USER MOD Single : A 57 THR OG1 : rot -4:sc= 0.479 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.275 -13.104 -7.049 1.00 0.00 N ATOM 2 CA ALA A 1 3.595 -13.790 -5.803 1.00 0.00 C ATOM 3 C ALA A 1 4.334 -12.867 -4.842 1.00 0.00 C ATOM 4 O ALA A 1 5.324 -13.259 -4.226 1.00 0.00 O ATOM 5 CB ALA A 1 4.423 -15.035 -6.085 1.00 0.00 C ATOM 0 H1 ALA A 1 2.848 -13.778 -7.717 1.00 0.00 H new ATOM 0 H2 ALA A 1 2.603 -12.333 -6.858 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.145 -12.711 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 1 2.659 -14.088 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.655 -15.538 -5.146 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.858 -15.710 -6.728 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.350 -14.750 -6.583 1.00 0.00 H new ATOM 11 N GLY A 2 3.847 -11.636 -4.718 1.00 0.00 N ATOM 12 CA GLY A 2 4.468 -10.679 -3.823 1.00 0.00 C ATOM 13 C GLY A 2 3.800 -10.637 -2.462 1.00 0.00 C ATOM 14 O GLY A 2 3.397 -11.673 -1.929 1.00 0.00 O ATOM 0 H GLY A 2 3.033 -11.285 -5.222 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.521 -10.932 -3.699 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.430 -9.687 -4.274 1.00 0.00 H new ATOM 18 N LEU A 3 3.685 -9.442 -1.898 1.00 0.00 N ATOM 19 CA LEU A 3 3.061 -9.270 -0.590 1.00 0.00 C ATOM 20 C LEU A 3 1.648 -8.709 -0.731 1.00 0.00 C ATOM 21 O LEU A 3 1.386 -7.872 -1.595 1.00 0.00 O ATOM 22 CB LEU A 3 3.916 -8.351 0.293 1.00 0.00 C ATOM 23 CG LEU A 3 5.360 -8.818 0.513 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.139 -7.761 1.283 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.359 -10.141 1.264 1.00 0.00 C ATOM 0 H LEU A 3 4.015 -8.576 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 3 2.993 -10.248 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.936 -7.358 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.431 -8.252 1.264 1.00 0.00 H new ATOM 0 HG LEU A 3 5.845 -8.964 -0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.163 -8.102 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.146 -6.830 0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.666 -7.593 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.386 -10.472 1.420 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.869 -10.011 2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.821 -10.889 0.682 1.00 0.00 H new ATOM 37 N SER A 4 0.743 -9.176 0.123 1.00 0.00 N ATOM 38 CA SER A 4 -0.634 -8.696 0.117 1.00 0.00 C ATOM 39 C SER A 4 -1.017 -8.131 1.481 1.00 0.00 C ATOM 40 O SER A 4 -0.808 -8.769 2.512 1.00 0.00 O ATOM 41 CB SER A 4 -1.577 -9.815 -0.279 1.00 0.00 C ATOM 42 OG SER A 4 -2.918 -9.408 -0.251 1.00 0.00 O ATOM 0 H SER A 4 0.939 -9.887 0.828 1.00 0.00 H new ATOM 0 HA SER A 4 -0.716 -7.894 -0.616 1.00 0.00 H new ATOM 0 HB2 SER A 4 -1.325 -10.164 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.441 -10.660 0.396 1.00 0.00 H new ATOM 0 HG SER A 4 -3.493 -10.157 -0.514 1.00 0.00 H new ATOM 48 N PHE A 5 -1.584 -6.928 1.478 1.00 0.00 N ATOM 49 CA PHE A 5 -2.003 -6.278 2.714 1.00 0.00 C ATOM 50 C PHE A 5 -3.368 -5.617 2.543 1.00 0.00 C ATOM 51 O PHE A 5 -3.583 -4.841 1.610 1.00 0.00 O ATOM 52 CB PHE A 5 -0.966 -5.244 3.155 1.00 0.00 C ATOM 53 CG PHE A 5 -1.262 -4.618 4.488 1.00 0.00 C ATOM 54 CD1 PHE A 5 -1.148 -5.356 5.656 1.00 0.00 C ATOM 55 CD2 PHE A 5 -1.655 -3.291 4.576 1.00 0.00 C ATOM 56 CE1 PHE A 5 -1.421 -4.781 6.884 1.00 0.00 C ATOM 57 CE2 PHE A 5 -1.927 -2.713 5.800 1.00 0.00 C ATOM 58 CZ PHE A 5 -1.810 -3.461 6.956 1.00 0.00 C ATOM 0 H PHE A 5 -1.763 -6.385 0.634 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.085 -7.042 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.013 -5.721 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.906 -4.459 2.401 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.843 -6.391 5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.750 -2.702 3.676 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.329 -5.367 7.787 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.231 -1.678 5.854 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.023 -3.012 7.915 1.00 0.00 H new ATOM 68 N HIS A 6 -4.288 -5.928 3.451 1.00 0.00 N ATOM 69 CA HIS A 6 -5.665 -5.460 3.336 1.00 0.00 C ATOM 70 C HIS A 6 -5.887 -4.210 4.184 1.00 0.00 C ATOM 71 O HIS A 6 -5.553 -4.183 5.368 1.00 0.00 O ATOM 72 CB HIS A 6 -6.647 -6.559 3.752 1.00 0.00 C ATOM 73 CG HIS A 6 -8.085 -6.163 3.619 1.00 0.00 C ATOM 74 ND1 HIS A 6 -8.740 -6.139 2.405 1.00 0.00 N ATOM 75 CD2 HIS A 6 -8.992 -5.775 4.545 1.00 0.00 C ATOM 76 CE1 HIS A 6 -9.991 -5.753 2.593 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.168 -5.526 3.881 1.00 0.00 N ATOM 0 H HIS A 6 -4.105 -6.502 4.274 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.846 -5.207 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.466 -7.445 3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.450 -6.837 4.787 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.325 -6.381 1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.823 -5.679 5.607 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.740 -5.642 1.823 1.00 0.00 H new ATOM 84 N VAL A 7 -6.451 -3.176 3.568 1.00 0.00 N ATOM 85 CA VAL A 7 -6.660 -1.903 4.246 1.00 0.00 C ATOM 86 C VAL A 7 -8.126 -1.486 4.193 1.00 0.00 C ATOM 87 O VAL A 7 -8.670 -1.232 3.120 1.00 0.00 O ATOM 88 CB VAL A 7 -5.795 -0.786 3.633 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.045 0.534 4.346 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.321 -1.156 3.701 1.00 0.00 C ATOM 0 H VAL A 7 -6.771 -3.195 2.600 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.364 -2.048 5.285 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.074 -0.670 2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.425 1.312 3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.096 0.807 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.793 0.431 5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.724 -0.356 3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.029 -1.299 4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.152 -2.079 3.147 1.00 0.00 H new ATOM 100 N GLU A 8 -8.759 -1.416 5.361 1.00 0.00 N ATOM 101 CA GLU A 8 -10.191 -1.151 5.439 1.00 0.00 C ATOM 102 C GLU A 8 -10.499 0.287 5.034 1.00 0.00 C ATOM 103 O GLU A 8 -11.577 0.580 4.515 1.00 0.00 O ATOM 104 CB GLU A 8 -10.712 -1.427 6.851 1.00 0.00 C ATOM 105 CG GLU A 8 -10.723 -2.898 7.240 1.00 0.00 C ATOM 106 CD GLU A 8 -11.201 -3.086 8.654 1.00 0.00 C ATOM 107 OE1 GLU A 8 -11.467 -2.105 9.305 1.00 0.00 O ATOM 108 OE2 GLU A 8 -11.408 -4.210 9.046 1.00 0.00 O ATOM 0 H GLU A 8 -8.303 -1.539 6.265 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.697 -1.820 4.743 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.098 -0.879 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.725 -1.034 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.369 -3.452 6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.720 -3.312 7.135 1.00 0.00 H new ATOM 115 N ASP A 9 -9.547 1.181 5.276 1.00 0.00 N ATOM 116 CA ASP A 9 -9.776 2.610 5.096 1.00 0.00 C ATOM 117 C ASP A 9 -9.845 2.968 3.615 1.00 0.00 C ATOM 118 O ASP A 9 -10.287 4.056 3.248 1.00 0.00 O ATOM 119 CB ASP A 9 -8.675 3.421 5.785 1.00 0.00 C ATOM 120 CG ASP A 9 -8.791 3.478 7.302 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.813 3.088 7.815 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.808 3.761 7.943 1.00 0.00 O ATOM 0 H ASP A 9 -8.609 0.942 5.597 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.733 2.858 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.707 2.993 5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -8.691 4.438 5.393 1.00 0.00 H new ATOM 127 N MET A 10 -9.404 2.044 2.767 1.00 0.00 N ATOM 128 CA MET A 10 -9.411 2.264 1.325 1.00 0.00 C ATOM 129 C MET A 10 -10.840 2.378 0.801 1.00 0.00 C ATOM 130 O MET A 10 -11.702 1.565 1.134 1.00 0.00 O ATOM 131 CB MET A 10 -8.674 1.131 0.614 1.00 0.00 C ATOM 132 CG MET A 10 -7.164 1.143 0.808 1.00 0.00 C ATOM 133 SD MET A 10 -6.350 -0.256 0.010 1.00 0.00 S ATOM 134 CE MET A 10 -6.268 0.321 -1.682 1.00 0.00 C ATOM 0 H MET A 10 -9.037 1.136 3.053 1.00 0.00 H new ATOM 0 HA MET A 10 -8.896 3.202 1.119 1.00 0.00 H new ATOM 0 HB2 MET A 10 -9.066 0.179 0.971 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.891 1.186 -0.453 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.757 2.072 0.408 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.938 1.130 1.874 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.468 -0.509 -2.360 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.012 1.103 -1.836 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.274 0.721 -1.882 1.00 0.00 H new ATOM 144 N THR A 11 -11.083 3.395 -0.021 1.00 0.00 N ATOM 145 CA THR A 11 -12.412 3.631 -0.571 1.00 0.00 C ATOM 146 C THR A 11 -12.374 3.695 -2.093 1.00 0.00 C ATOM 147 O THR A 11 -13.046 2.917 -2.772 1.00 0.00 O ATOM 148 CB THR A 11 -13.025 4.935 -0.027 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.067 4.885 1.405 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.435 5.127 -0.565 1.00 0.00 C ATOM 0 H THR A 11 -10.377 4.068 -0.320 1.00 0.00 H new ATOM 0 HA THR A 11 -13.034 2.791 -0.261 1.00 0.00 H new ATOM 0 HB THR A 11 -12.406 5.772 -0.351 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.456 5.716 1.750 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.852 6.053 -0.170 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.405 5.177 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.059 4.288 -0.258 1.00 0.00 H new ATOM 158 N CYS A 12 -11.586 4.622 -2.622 1.00 0.00 N ATOM 159 CA CYS A 12 -11.494 4.815 -4.065 1.00 0.00 C ATOM 160 C CYS A 12 -10.045 5.027 -4.495 1.00 0.00 C ATOM 161 O CYS A 12 -9.134 5.005 -3.670 1.00 0.00 O ATOM 162 CB CYS A 12 -12.316 6.084 -4.290 1.00 0.00 C ATOM 163 SG CYS A 12 -11.659 7.557 -3.470 1.00 0.00 S ATOM 0 H CYS A 12 -11.001 5.253 -2.074 1.00 0.00 H new ATOM 0 HA CYS A 12 -11.851 3.959 -4.638 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.378 6.277 -5.361 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.333 5.910 -3.938 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.426 8.575 -3.726 1.00 0.00 H new ATOM 169 N GLY A 13 -9.842 5.232 -5.793 1.00 0.00 N ATOM 170 CA GLY A 13 -8.497 5.344 -6.324 1.00 0.00 C ATOM 171 C GLY A 13 -7.741 6.524 -5.745 1.00 0.00 C ATOM 172 O GLY A 13 -6.513 6.582 -5.820 1.00 0.00 O ATOM 0 H GLY A 13 -10.585 5.322 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.949 4.426 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.545 5.444 -7.408 1.00 0.00 H new ATOM 176 N HIS A 14 -8.475 7.471 -5.169 1.00 0.00 N ATOM 177 CA HIS A 14 -7.865 8.643 -4.554 1.00 0.00 C ATOM 178 C HIS A 14 -7.234 8.285 -3.210 1.00 0.00 C ATOM 179 O HIS A 14 -6.342 8.983 -2.728 1.00 0.00 O ATOM 180 CB HIS A 14 -8.897 9.760 -4.370 1.00 0.00 C ATOM 181 CG HIS A 14 -9.423 10.310 -5.659 1.00 0.00 C ATOM 182 ND1 HIS A 14 -8.657 11.087 -6.503 1.00 0.00 N ATOM 183 CD2 HIS A 14 -10.637 10.199 -6.247 1.00 0.00 C ATOM 184 CE1 HIS A 14 -9.379 11.428 -7.557 1.00 0.00 C ATOM 185 NE2 HIS A 14 -10.583 10.902 -7.426 1.00 0.00 N ATOM 0 H HIS A 14 -9.493 7.449 -5.116 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.081 9.000 -5.222 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.731 9.379 -3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -8.445 10.570 -3.797 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -11.489 9.659 -5.861 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.041 12.034 -8.385 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -11.349 11.002 -8.092 1.00 0.00 H new ATOM 192 N CYS A 15 -7.704 7.195 -2.614 1.00 0.00 N ATOM 193 CA CYS A 15 -7.115 6.685 -1.381 1.00 0.00 C ATOM 194 C CYS A 15 -6.002 5.687 -1.683 1.00 0.00 C ATOM 195 O CYS A 15 -4.973 5.665 -1.007 1.00 0.00 O ATOM 196 CB CYS A 15 -8.295 5.989 -0.705 1.00 0.00 C ATOM 197 SG CYS A 15 -9.639 7.097 -0.216 1.00 0.00 S ATOM 0 H CYS A 15 -8.490 6.648 -2.964 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.659 7.462 -0.767 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.692 5.234 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -7.933 5.465 0.179 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.413 7.317 -1.237 1.00 0.00 H new ATOM 203 N ALA A 16 -6.215 4.862 -2.703 1.00 0.00 N ATOM 204 CA ALA A 16 -5.202 3.909 -3.140 1.00 0.00 C ATOM 205 C ALA A 16 -3.962 4.627 -3.664 1.00 0.00 C ATOM 206 O ALA A 16 -2.838 4.172 -3.463 1.00 0.00 O ATOM 207 CB ALA A 16 -5.771 2.986 -4.208 1.00 0.00 C ATOM 0 H ALA A 16 -7.080 4.834 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.906 3.310 -2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.004 2.280 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.621 2.439 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.096 3.577 -5.064 1.00 0.00 H new ATOM 213 N GLY A 17 -4.176 5.752 -4.337 1.00 0.00 N ATOM 214 CA GLY A 17 -3.069 6.506 -4.893 1.00 0.00 C ATOM 215 C GLY A 17 -2.121 7.016 -3.825 1.00 0.00 C ATOM 216 O GLY A 17 -0.906 7.037 -4.022 1.00 0.00 O ATOM 0 H GLY A 17 -5.097 6.155 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.519 5.876 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.458 7.350 -5.463 1.00 0.00 H new ATOM 220 N VAL A 18 -2.676 7.428 -2.690 1.00 0.00 N ATOM 221 CA VAL A 18 -1.872 7.936 -1.585 1.00 0.00 C ATOM 222 C VAL A 18 -0.969 6.846 -1.017 1.00 0.00 C ATOM 223 O VAL A 18 0.201 7.088 -0.718 1.00 0.00 O ATOM 224 CB VAL A 18 -2.755 8.500 -0.457 1.00 0.00 C ATOM 225 CG1 VAL A 18 -1.906 8.872 0.749 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.541 9.707 -0.947 1.00 0.00 C ATOM 0 H VAL A 18 -3.680 7.420 -2.511 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.256 8.741 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.463 7.728 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.547 9.269 1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.387 7.986 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.175 9.628 0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.159 10.092 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.849 10.483 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.178 9.412 -1.781 1.00 0.00 H new ATOM 236 N ILE A 19 -1.522 5.647 -0.869 1.00 0.00 N ATOM 237 CA ILE A 19 -0.746 4.499 -0.414 1.00 0.00 C ATOM 238 C ILE A 19 0.375 4.172 -1.396 1.00 0.00 C ATOM 239 O ILE A 19 1.513 3.925 -0.995 1.00 0.00 O ATOM 240 CB ILE A 19 -1.633 3.255 -0.228 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.598 3.458 0.943 1.00 0.00 C ATOM 242 CG2 ILE A 19 -0.776 2.019 -0.007 1.00 0.00 C ATOM 243 CD1 ILE A 19 -3.682 2.408 1.031 1.00 0.00 C ATOM 0 H ILE A 19 -2.504 5.445 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.315 4.771 0.549 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.219 3.108 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.030 3.459 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.063 4.440 0.852 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.419 1.149 0.123 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.128 1.866 -0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.165 2.155 0.885 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.325 2.620 1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.276 2.421 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.227 1.425 1.154 1.00 0.00 H new ATOM 255 N LYS A 20 0.047 4.171 -2.682 1.00 0.00 N ATOM 256 CA LYS A 20 1.033 3.914 -3.724 1.00 0.00 C ATOM 257 C LYS A 20 2.160 4.939 -3.671 1.00 0.00 C ATOM 258 O LYS A 20 3.333 4.595 -3.801 1.00 0.00 O ATOM 259 CB LYS A 20 0.372 3.924 -5.103 1.00 0.00 C ATOM 260 CG LYS A 20 1.335 3.713 -6.264 1.00 0.00 C ATOM 261 CD LYS A 20 0.589 3.575 -7.583 1.00 0.00 C ATOM 262 CE LYS A 20 1.551 3.356 -8.743 1.00 0.00 C ATOM 263 NZ LYS A 20 0.835 3.224 -10.041 1.00 0.00 N ATOM 0 H LYS A 20 -0.896 4.346 -3.029 1.00 0.00 H new ATOM 0 HA LYS A 20 1.460 2.926 -3.548 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.390 3.145 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.140 4.876 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.028 4.552 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.932 2.819 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.108 2.739 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.004 4.472 -7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.250 4.191 -8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.141 2.458 -8.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.525 3.076 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.186 2.412 -9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.292 4.091 -10.228 1.00 0.00 H new ATOM 277 N GLY A 21 1.795 6.205 -3.479 1.00 0.00 N ATOM 278 CA GLY A 21 2.788 7.261 -3.409 1.00 0.00 C ATOM 279 C GLY A 21 3.718 7.103 -2.223 1.00 0.00 C ATOM 280 O GLY A 21 4.923 7.326 -2.336 1.00 0.00 O ATOM 0 H GLY A 21 0.830 6.517 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.374 7.266 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.284 8.226 -3.346 1.00 0.00 H new ATOM 284 N ALA A 22 3.158 6.720 -1.081 1.00 0.00 N ATOM 285 CA ALA A 22 3.950 6.509 0.125 1.00 0.00 C ATOM 286 C ALA A 22 4.942 5.367 -0.061 1.00 0.00 C ATOM 287 O ALA A 22 6.094 5.457 0.366 1.00 0.00 O ATOM 288 CB ALA A 22 3.040 6.232 1.313 1.00 0.00 C ATOM 0 H ALA A 22 2.159 6.549 -0.965 1.00 0.00 H new ATOM 0 HA ALA A 22 4.517 7.419 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.645 6.076 2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 22 2.375 7.082 1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.447 5.339 1.117 1.00 0.00 H new ATOM 294 N ILE A 23 4.488 4.293 -0.700 1.00 0.00 N ATOM 295 CA ILE A 23 5.338 3.133 -0.942 1.00 0.00 C ATOM 296 C ILE A 23 6.495 3.483 -1.870 1.00 0.00 C ATOM 297 O ILE A 23 7.651 3.176 -1.580 1.00 0.00 O ATOM 298 CB ILE A 23 4.538 1.965 -1.548 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.549 1.406 -0.522 1.00 0.00 C ATOM 300 CG2 ILE A 23 5.478 0.874 -2.036 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.540 0.444 -1.107 1.00 0.00 C ATOM 0 H ILE A 23 3.538 4.202 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 23 5.735 2.825 0.025 1.00 0.00 H new ATOM 0 HB ILE A 23 3.973 2.338 -2.402 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.106 0.899 0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.018 2.235 -0.054 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.896 0.056 -2.461 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.143 1.281 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.069 0.502 -1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.874 0.091 -0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.956 0.951 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.061 -0.405 -1.549 1.00 0.00 H new ATOM 313 N GLU A 24 6.175 4.128 -2.988 1.00 0.00 N ATOM 314 CA GLU A 24 7.188 4.507 -3.967 1.00 0.00 C ATOM 315 C GLU A 24 8.155 5.532 -3.381 1.00 0.00 C ATOM 316 O GLU A 24 9.350 5.513 -3.674 1.00 0.00 O ATOM 317 CB GLU A 24 6.532 5.063 -5.232 1.00 0.00 C ATOM 318 CG GLU A 24 5.823 4.019 -6.084 1.00 0.00 C ATOM 319 CD GLU A 24 5.174 4.645 -7.288 1.00 0.00 C ATOM 320 OE1 GLU A 24 5.190 5.848 -7.389 1.00 0.00 O ATOM 321 OE2 GLU A 24 4.762 3.918 -8.161 1.00 0.00 O ATOM 0 H GLU A 24 5.224 4.399 -3.238 1.00 0.00 H new ATOM 0 HA GLU A 24 7.753 3.613 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.813 5.830 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.295 5.551 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.539 3.262 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.068 3.509 -5.485 1.00 0.00 H new ATOM 328 N LYS A 25 7.628 6.426 -2.551 1.00 0.00 N ATOM 329 CA LYS A 25 8.432 7.489 -1.959 1.00 0.00 C ATOM 330 C LYS A 25 9.490 6.913 -1.024 1.00 0.00 C ATOM 331 O LYS A 25 10.657 7.305 -1.074 1.00 0.00 O ATOM 332 CB LYS A 25 7.544 8.480 -1.206 1.00 0.00 C ATOM 333 CG LYS A 25 8.296 9.640 -0.568 1.00 0.00 C ATOM 334 CD LYS A 25 7.338 10.632 0.077 1.00 0.00 C ATOM 335 CE LYS A 25 8.091 11.773 0.746 1.00 0.00 C ATOM 336 NZ LYS A 25 7.169 12.735 1.408 1.00 0.00 N ATOM 0 H LYS A 25 6.647 6.435 -2.273 1.00 0.00 H new ATOM 0 HA LYS A 25 8.938 8.018 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.801 8.880 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.000 7.944 -0.428 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.988 9.259 0.183 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.894 10.148 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.663 11.033 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.722 10.118 0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.783 11.367 1.484 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.690 12.298 0.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.722 13.496 1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.525 13.142 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.615 12.240 2.136 1.00 0.00 H new ATOM 350 N THR A 26 9.077 5.981 -0.171 1.00 0.00 N ATOM 351 CA THR A 26 9.955 5.449 0.863 1.00 0.00 C ATOM 352 C THR A 26 10.703 4.217 0.368 1.00 0.00 C ATOM 353 O THR A 26 11.733 3.839 0.926 1.00 0.00 O ATOM 354 CB THR A 26 9.170 5.084 2.137 1.00 0.00 C ATOM 355 OG1 THR A 26 8.204 4.069 1.833 1.00 0.00 O ATOM 356 CG2 THR A 26 8.456 6.307 2.693 1.00 0.00 C ATOM 0 H THR A 26 8.140 5.579 -0.176 1.00 0.00 H new ATOM 0 HA THR A 26 10.672 6.234 1.102 1.00 0.00 H new ATOM 0 HB THR A 26 9.872 4.715 2.884 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.465 4.463 1.323 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.907 6.030 3.593 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.189 7.076 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.760 6.692 1.948 1.00 0.00 H new ATOM 364 N VAL A 27 10.178 3.594 -0.683 1.00 0.00 N ATOM 365 CA VAL A 27 10.825 2.434 -1.284 1.00 0.00 C ATOM 366 C VAL A 27 10.935 2.589 -2.797 1.00 0.00 C ATOM 367 O VAL A 27 9.970 2.394 -3.537 1.00 0.00 O ATOM 368 CB VAL A 27 10.062 1.134 -0.965 1.00 0.00 C ATOM 369 CG1 VAL A 27 10.770 -0.063 -1.584 1.00 0.00 C ATOM 370 CG2 VAL A 27 9.927 0.952 0.538 1.00 0.00 C ATOM 0 H VAL A 27 9.307 3.873 -1.135 1.00 0.00 H new ATOM 0 HA VAL A 27 11.825 2.372 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 27 9.063 1.205 -1.395 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.218 -0.973 -1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.819 0.063 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.780 -0.137 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.386 0.029 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.918 0.901 0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.380 1.796 0.959 1.00 0.00 H new ATOM 380 N PRO A 28 12.137 2.949 -3.268 1.00 0.00 N ATOM 381 CA PRO A 28 12.396 3.161 -4.696 1.00 0.00 C ATOM 382 C PRO A 28 12.387 1.857 -5.486 1.00 0.00 C ATOM 383 O PRO A 28 12.959 0.856 -5.056 1.00 0.00 O ATOM 384 CB PRO A 28 13.773 3.833 -4.724 1.00 0.00 C ATOM 385 CG PRO A 28 14.437 3.375 -3.470 1.00 0.00 C ATOM 386 CD PRO A 28 13.334 3.278 -2.449 1.00 0.00 C ATOM 0 HA PRO A 28 11.623 3.767 -5.168 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.342 3.536 -5.605 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.684 4.919 -4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.926 2.412 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.206 4.079 -3.152 1.00 0.00 H new ATOM 0 HD2 PRO A 28 13.539 2.505 -1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.205 4.214 -1.906 1.00 0.00 H new ATOM 394 N GLY A 29 11.734 1.876 -6.644 1.00 0.00 N ATOM 395 CA GLY A 29 11.685 0.697 -7.488 1.00 0.00 C ATOM 396 C GLY A 29 10.570 -0.252 -7.093 1.00 0.00 C ATOM 397 O GLY A 29 10.486 -1.367 -7.605 1.00 0.00 O ATOM 0 H GLY A 29 11.238 2.687 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.548 1.002 -8.526 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.640 0.174 -7.433 1.00 0.00 H new ATOM 401 N ALA A 30 9.713 0.191 -6.180 1.00 0.00 N ATOM 402 CA ALA A 30 8.619 -0.639 -5.691 1.00 0.00 C ATOM 403 C ALA A 30 7.483 -0.704 -6.707 1.00 0.00 C ATOM 404 O ALA A 30 7.053 0.320 -7.236 1.00 0.00 O ATOM 405 CB ALA A 30 8.110 -0.110 -4.360 1.00 0.00 C ATOM 0 H ALA A 30 9.755 1.121 -5.763 1.00 0.00 H new ATOM 0 HA ALA A 30 8.999 -1.650 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.293 -0.739 -4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.919 -0.122 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.752 0.912 -4.487 1.00 0.00 H new ATOM 411 N ALA A 31 7.003 -1.913 -6.974 1.00 0.00 N ATOM 412 CA ALA A 31 5.828 -2.100 -7.817 1.00 0.00 C ATOM 413 C ALA A 31 4.562 -2.225 -6.975 1.00 0.00 C ATOM 414 O ALA A 31 4.449 -3.115 -6.133 1.00 0.00 O ATOM 415 CB ALA A 31 6.001 -3.328 -8.698 1.00 0.00 C ATOM 0 H ALA A 31 7.409 -2.779 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 31 5.724 -1.221 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.116 -3.456 -9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.878 -3.200 -9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.133 -4.210 -8.071 1.00 0.00 H new ATOM 421 N VAL A 32 3.612 -1.324 -7.207 1.00 0.00 N ATOM 422 CA VAL A 32 2.394 -1.276 -6.408 1.00 0.00 C ATOM 423 C VAL A 32 1.163 -1.549 -7.265 1.00 0.00 C ATOM 424 O VAL A 32 0.886 -0.824 -8.222 1.00 0.00 O ATOM 425 CB VAL A 32 2.230 0.088 -5.710 1.00 0.00 C ATOM 426 CG1 VAL A 32 0.949 0.114 -4.890 1.00 0.00 C ATOM 427 CG2 VAL A 32 3.431 0.381 -4.825 1.00 0.00 C ATOM 0 H VAL A 32 3.663 -0.618 -7.941 1.00 0.00 H new ATOM 0 HA VAL A 32 2.484 -2.053 -5.649 1.00 0.00 H new ATOM 0 HB VAL A 32 2.168 0.862 -6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.848 1.084 -4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.094 -0.054 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.986 -0.669 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.298 1.348 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.522 -0.396 -4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.335 0.401 -5.434 1.00 0.00 H new ATOM 437 N HIS A 33 0.426 -2.598 -6.916 1.00 0.00 N ATOM 438 CA HIS A 33 -0.879 -2.850 -7.516 1.00 0.00 C ATOM 439 C HIS A 33 -1.981 -2.802 -6.461 1.00 0.00 C ATOM 440 O HIS A 33 -2.143 -3.736 -5.676 1.00 0.00 O ATOM 441 CB HIS A 33 -0.896 -4.205 -8.231 1.00 0.00 C ATOM 442 CG HIS A 33 0.155 -4.338 -9.289 1.00 0.00 C ATOM 443 ND1 HIS A 33 0.013 -3.802 -10.551 1.00 0.00 N ATOM 444 CD2 HIS A 33 1.363 -4.949 -9.274 1.00 0.00 C ATOM 445 CE1 HIS A 33 1.091 -4.075 -11.267 1.00 0.00 C ATOM 446 NE2 HIS A 33 1.924 -4.771 -10.514 1.00 0.00 N ATOM 0 H HIS A 33 0.710 -3.288 -6.220 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.066 -2.066 -8.249 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -0.760 -4.997 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.876 -4.355 -8.683 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.803 -5.478 -8.442 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.261 -3.780 -12.292 1.00 0.00 H new ATOM 0 HE2 HIS A 33 2.837 -5.120 -10.807 1.00 0.00 H new ATOM 453 N ALA A 34 -2.734 -1.706 -6.448 1.00 0.00 N ATOM 454 CA ALA A 34 -3.710 -1.463 -5.392 1.00 0.00 C ATOM 455 C ALA A 34 -5.132 -1.521 -5.938 1.00 0.00 C ATOM 456 O ALA A 34 -5.406 -1.040 -7.037 1.00 0.00 O ATOM 457 CB ALA A 34 -3.450 -0.118 -4.734 1.00 0.00 C ATOM 0 H ALA A 34 -2.687 -0.973 -7.156 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.603 -2.248 -4.643 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.186 0.051 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.449 -0.112 -4.302 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.528 0.673 -5.480 1.00 0.00 H new ATOM 463 N ASP A 35 -6.034 -2.113 -5.162 1.00 0.00 N ATOM 464 CA ASP A 35 -7.446 -2.155 -5.525 1.00 0.00 C ATOM 465 C ASP A 35 -8.320 -1.694 -4.364 1.00 0.00 C ATOM 466 O ASP A 35 -8.525 -2.411 -3.385 1.00 0.00 O ATOM 467 CB ASP A 35 -7.848 -3.567 -5.961 1.00 0.00 C ATOM 468 CG ASP A 35 -9.307 -3.707 -6.375 1.00 0.00 C ATOM 469 OD1 ASP A 35 -10.071 -2.813 -6.095 1.00 0.00 O ATOM 470 OD2 ASP A 35 -9.613 -4.623 -7.098 1.00 0.00 O ATOM 0 H ASP A 35 -5.812 -2.570 -4.278 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.599 -1.474 -6.362 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.216 -3.870 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.648 -4.258 -5.142 1.00 0.00 H new ATOM 475 N PRO A 36 -8.848 -0.465 -4.473 1.00 0.00 N ATOM 476 CA PRO A 36 -9.642 0.152 -3.406 1.00 0.00 C ATOM 477 C PRO A 36 -11.065 -0.394 -3.352 1.00 0.00 C ATOM 478 O PRO A 36 -11.730 -0.317 -2.320 1.00 0.00 O ATOM 479 CB PRO A 36 -9.653 1.635 -3.784 1.00 0.00 C ATOM 480 CG PRO A 36 -9.485 1.650 -5.265 1.00 0.00 C ATOM 481 CD PRO A 36 -8.586 0.489 -5.590 1.00 0.00 C ATOM 0 HA PRO A 36 -9.223 -0.048 -2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.587 2.112 -3.487 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.847 2.176 -3.289 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.447 1.552 -5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.045 2.590 -5.599 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.827 0.051 -6.559 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.539 0.788 -5.627 1.00 0.00 H new ATOM 489 N ALA A 37 -11.525 -0.945 -4.470 1.00 0.00 N ATOM 490 CA ALA A 37 -12.793 -1.663 -4.501 1.00 0.00 C ATOM 491 C ALA A 37 -12.706 -2.965 -3.712 1.00 0.00 C ATOM 492 O ALA A 37 -13.673 -3.381 -3.072 1.00 0.00 O ATOM 493 CB ALA A 37 -13.206 -1.943 -5.939 1.00 0.00 C ATOM 0 H ALA A 37 -11.039 -0.908 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.550 -1.034 -4.032 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.155 -2.480 -5.947 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.318 -1.001 -6.476 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.442 -2.549 -6.426 1.00 0.00 H new ATOM 499 N SER A 38 -11.542 -3.605 -3.759 1.00 0.00 N ATOM 500 CA SER A 38 -11.283 -4.785 -2.941 1.00 0.00 C ATOM 501 C SER A 38 -10.560 -4.402 -1.653 1.00 0.00 C ATOM 502 O SER A 38 -10.331 -5.244 -0.785 1.00 0.00 O ATOM 503 CB SER A 38 -10.472 -5.798 -3.726 1.00 0.00 C ATOM 504 OG SER A 38 -11.161 -6.264 -4.853 1.00 0.00 O ATOM 0 H SER A 38 -10.763 -3.326 -4.355 1.00 0.00 H new ATOM 0 HA SER A 38 -12.238 -5.235 -2.672 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.531 -5.345 -4.038 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.222 -6.640 -3.081 1.00 0.00 H new ATOM 0 HG SER A 38 -10.796 -5.840 -5.658 1.00 0.00 H new ATOM 510 N ARG A 39 -10.202 -3.127 -1.538 1.00 0.00 N ATOM 511 CA ARG A 39 -9.604 -2.609 -0.314 1.00 0.00 C ATOM 512 C ARG A 39 -8.317 -3.358 0.022 1.00 0.00 C ATOM 513 O ARG A 39 -7.978 -3.539 1.191 1.00 0.00 O ATOM 514 CB ARG A 39 -10.579 -2.621 0.853 1.00 0.00 C ATOM 515 CG ARG A 39 -11.743 -1.652 0.725 1.00 0.00 C ATOM 516 CD ARG A 39 -12.445 -1.364 2.002 1.00 0.00 C ATOM 517 NE ARG A 39 -13.195 -2.485 2.544 1.00 0.00 N ATOM 518 CZ ARG A 39 -13.681 -2.546 3.799 1.00 0.00 C ATOM 519 NH1 ARG A 39 -13.468 -1.573 4.655 1.00 0.00 N ATOM 520 NH2 ARG A 39 -14.360 -3.623 4.153 1.00 0.00 N ATOM 0 H ARG A 39 -10.316 -2.434 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.349 -1.565 -0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.976 -3.630 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.032 -2.390 1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.375 -0.715 0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.462 -2.058 0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.711 -1.043 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.127 -0.528 1.846 1.00 0.00 H new ATOM 0 HE ARG A 39 -13.365 -3.282 1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.927 -0.755 4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.843 -1.635 5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.503 -4.379 3.483 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.741 -3.699 5.096 1.00 0.00 H new ATOM 534 N THR A 40 -7.604 -3.791 -1.014 1.00 0.00 N ATOM 535 CA THR A 40 -6.430 -4.635 -0.832 1.00 0.00 C ATOM 536 C THR A 40 -5.264 -4.144 -1.685 1.00 0.00 C ATOM 537 O THR A 40 -5.445 -3.769 -2.843 1.00 0.00 O ATOM 538 CB THR A 40 -6.729 -6.104 -1.185 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.835 -6.570 -0.402 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.514 -6.976 -0.911 1.00 0.00 C ATOM 0 H THR A 40 -7.819 -3.571 -1.986 1.00 0.00 H new ATOM 0 HA THR A 40 -6.158 -4.574 0.222 1.00 0.00 H new ATOM 0 HB THR A 40 -6.975 -6.165 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.640 -6.064 -0.639 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.744 -8.011 -1.166 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.675 -6.631 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 40 -5.251 -6.913 0.145 1.00 0.00 H new ATOM 548 N VAL A 41 -4.068 -4.150 -1.104 1.00 0.00 N ATOM 549 CA VAL A 41 -2.878 -3.681 -1.803 1.00 0.00 C ATOM 550 C VAL A 41 -1.883 -4.816 -2.017 1.00 0.00 C ATOM 551 O VAL A 41 -1.537 -5.538 -1.083 1.00 0.00 O ATOM 552 CB VAL A 41 -2.183 -2.542 -1.033 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.943 -2.073 -1.779 1.00 0.00 C ATOM 554 CG2 VAL A 41 -3.143 -1.382 -0.818 1.00 0.00 C ATOM 0 H VAL A 41 -3.898 -4.474 -0.152 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.209 -3.304 -2.771 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.876 -2.923 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.465 -1.268 -1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.246 -2.904 -1.885 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.228 -1.710 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.636 -0.586 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.478 -1.003 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.004 -1.724 -0.243 1.00 0.00 H new ATOM 564 N VAL A 42 -1.426 -4.969 -3.257 1.00 0.00 N ATOM 565 CA VAL A 42 -0.388 -5.941 -3.576 1.00 0.00 C ATOM 566 C VAL A 42 0.930 -5.249 -3.908 1.00 0.00 C ATOM 567 O VAL A 42 0.987 -4.389 -4.787 1.00 0.00 O ATOM 568 CB VAL A 42 -0.797 -6.840 -4.757 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.320 -7.814 -5.097 1.00 0.00 C ATOM 570 CG2 VAL A 42 -2.078 -7.592 -4.434 1.00 0.00 C ATOM 0 H VAL A 42 -1.759 -4.431 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.256 -6.562 -2.690 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.978 -6.207 -5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.013 -8.441 -5.934 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.217 -7.258 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.531 -8.442 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.353 -8.223 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.922 -8.214 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.879 -6.879 -4.238 1.00 0.00 H new ATOM 580 N VAL A 43 1.988 -5.630 -3.199 1.00 0.00 N ATOM 581 CA VAL A 43 3.275 -4.955 -3.323 1.00 0.00 C ATOM 582 C VAL A 43 4.365 -5.928 -3.756 1.00 0.00 C ATOM 583 O VAL A 43 4.478 -7.030 -3.221 1.00 0.00 O ATOM 584 CB VAL A 43 3.692 -4.286 -2.000 1.00 0.00 C ATOM 585 CG1 VAL A 43 5.017 -3.558 -2.167 1.00 0.00 C ATOM 586 CG2 VAL A 43 2.614 -3.324 -1.525 1.00 0.00 C ATOM 0 H VAL A 43 1.979 -6.402 -2.533 1.00 0.00 H new ATOM 0 HA VAL A 43 3.155 -4.185 -4.085 1.00 0.00 H new ATOM 0 HB VAL A 43 3.817 -5.063 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.297 -3.091 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.788 -4.269 -2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.917 -2.791 -2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.926 -2.861 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.458 -2.551 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.684 -3.869 -1.367 1.00 0.00 H new ATOM 596 N GLY A 44 5.168 -5.513 -4.730 1.00 0.00 N ATOM 597 CA GLY A 44 6.256 -6.348 -5.203 1.00 0.00 C ATOM 598 C GLY A 44 7.398 -6.432 -4.211 1.00 0.00 C ATOM 599 O GLY A 44 7.231 -6.112 -3.034 1.00 0.00 O ATOM 0 H GLY A 44 5.084 -4.612 -5.201 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.879 -7.351 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.629 -5.953 -6.148 1.00 0.00 H new ATOM 603 N GLY A 45 8.562 -6.864 -4.685 1.00 0.00 N ATOM 604 CA GLY A 45 9.700 -7.049 -3.802 1.00 0.00 C ATOM 605 C GLY A 45 10.041 -5.792 -3.025 1.00 0.00 C ATOM 606 O GLY A 45 10.476 -4.795 -3.604 1.00 0.00 O ATOM 0 H GLY A 45 8.738 -7.089 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.486 -7.858 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.566 -7.356 -4.389 1.00 0.00 H new ATOM 610 N VAL A 46 9.845 -5.838 -1.712 1.00 0.00 N ATOM 611 CA VAL A 46 10.120 -4.689 -0.857 1.00 0.00 C ATOM 612 C VAL A 46 10.685 -5.129 0.489 1.00 0.00 C ATOM 613 O VAL A 46 10.842 -6.322 0.747 1.00 0.00 O ATOM 614 CB VAL A 46 8.853 -3.844 -0.622 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.388 -3.209 -1.924 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.746 -4.698 -0.023 1.00 0.00 C ATOM 0 H VAL A 46 9.497 -6.659 -1.216 1.00 0.00 H new ATOM 0 HA VAL A 46 10.860 -4.079 -1.376 1.00 0.00 H new ATOM 0 HB VAL A 46 9.095 -3.049 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.492 -2.616 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.175 -2.565 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.163 -3.990 -2.650 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.859 -4.085 0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.506 -5.513 -0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.079 -5.109 0.930 1.00 0.00 H new ATOM 626 N SER A 47 10.987 -4.157 1.343 1.00 0.00 N ATOM 627 CA SER A 47 11.468 -4.446 2.690 1.00 0.00 C ATOM 628 C SER A 47 10.472 -5.315 3.449 1.00 0.00 C ATOM 629 O SER A 47 9.368 -5.578 2.969 1.00 0.00 O ATOM 630 CB SER A 47 11.725 -3.156 3.443 1.00 0.00 C ATOM 631 OG SER A 47 10.546 -2.433 3.670 1.00 0.00 O ATOM 0 H SER A 47 10.908 -3.163 1.127 1.00 0.00 H new ATOM 0 HA SER A 47 12.405 -4.998 2.607 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.200 -3.383 4.398 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.424 -2.540 2.877 1.00 0.00 H new ATOM 0 HG SER A 47 10.689 -1.795 4.400 1.00 0.00 H new ATOM 637 N ASP A 48 10.868 -5.761 4.636 1.00 0.00 N ATOM 638 CA ASP A 48 10.086 -6.734 5.388 1.00 0.00 C ATOM 639 C ASP A 48 8.595 -6.426 5.291 1.00 0.00 C ATOM 640 O ASP A 48 8.187 -5.264 5.332 1.00 0.00 O ATOM 641 CB ASP A 48 10.526 -6.762 6.854 1.00 0.00 C ATOM 642 CG ASP A 48 9.927 -7.901 7.669 1.00 0.00 C ATOM 643 OD1 ASP A 48 8.737 -7.897 7.874 1.00 0.00 O ATOM 644 OD2 ASP A 48 10.633 -8.841 7.946 1.00 0.00 O ATOM 0 H ASP A 48 11.727 -5.463 5.098 1.00 0.00 H new ATOM 0 HA ASP A 48 10.263 -7.717 4.951 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.613 -6.836 6.893 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.254 -5.815 7.321 1.00 0.00 H new ATOM 649 N ALA A 49 7.786 -7.470 5.161 1.00 0.00 N ATOM 650 CA ALA A 49 6.350 -7.307 4.967 1.00 0.00 C ATOM 651 C ALA A 49 5.744 -6.436 6.062 1.00 0.00 C ATOM 652 O ALA A 49 4.806 -5.679 5.816 1.00 0.00 O ATOM 653 CB ALA A 49 5.664 -8.665 4.929 1.00 0.00 C ATOM 0 H ALA A 49 8.100 -8.440 5.186 1.00 0.00 H new ATOM 0 HA ALA A 49 6.192 -6.807 4.012 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.593 -8.527 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.069 -9.254 4.106 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.838 -9.187 5.870 1.00 0.00 H new ATOM 659 N ALA A 50 6.286 -6.549 7.269 1.00 0.00 N ATOM 660 CA ALA A 50 5.851 -5.715 8.382 1.00 0.00 C ATOM 661 C ALA A 50 6.173 -4.247 8.128 1.00 0.00 C ATOM 662 O ALA A 50 5.366 -3.364 8.422 1.00 0.00 O ATOM 663 CB ALA A 50 6.501 -6.182 9.677 1.00 0.00 C ATOM 0 H ALA A 50 7.027 -7.210 7.501 1.00 0.00 H new ATOM 0 HA ALA A 50 4.769 -5.812 8.474 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.167 -5.550 10.500 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.217 -7.216 9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.585 -6.115 9.585 1.00 0.00 H new ATOM 669 N HIS A 51 7.355 -3.991 7.577 1.00 0.00 N ATOM 670 CA HIS A 51 7.835 -2.626 7.395 1.00 0.00 C ATOM 671 C HIS A 51 7.030 -1.908 6.317 1.00 0.00 C ATOM 672 O HIS A 51 6.666 -0.742 6.474 1.00 0.00 O ATOM 673 CB HIS A 51 9.324 -2.617 7.033 1.00 0.00 C ATOM 674 CG HIS A 51 9.922 -1.245 6.981 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.236 -0.615 5.795 1.00 0.00 N ATOM 676 CD2 HIS A 51 10.263 -0.384 7.968 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.745 0.577 6.056 1.00 0.00 C ATOM 678 NE2 HIS A 51 10.773 0.740 7.366 1.00 0.00 N ATOM 0 H HIS A 51 7.998 -4.711 7.249 1.00 0.00 H new ATOM 0 HA HIS A 51 7.703 -2.096 8.338 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.870 -3.214 7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 51 9.456 -3.099 6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 51 10.154 -0.550 9.030 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.081 1.295 5.323 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.118 1.568 7.852 1.00 0.00 H new ATOM 685 N ILE A 52 6.757 -2.609 5.222 1.00 0.00 N ATOM 686 CA ILE A 52 5.964 -2.050 4.135 1.00 0.00 C ATOM 687 C ILE A 52 4.512 -1.853 4.560 1.00 0.00 C ATOM 688 O ILE A 52 3.830 -0.951 4.075 1.00 0.00 O ATOM 689 CB ILE A 52 6.007 -2.948 2.884 1.00 0.00 C ATOM 690 CG1 ILE A 52 5.371 -2.232 1.691 1.00 0.00 C ATOM 691 CG2 ILE A 52 5.302 -4.270 3.154 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.126 -1.000 1.245 1.00 0.00 C ATOM 0 H ILE A 52 7.074 -3.566 5.064 1.00 0.00 H new ATOM 0 HA ILE A 52 6.402 -1.083 3.889 1.00 0.00 H new ATOM 0 HB ILE A 52 7.049 -3.158 2.643 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.304 -2.928 0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.351 -1.948 1.951 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.341 -4.893 2.260 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.797 -4.785 3.977 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.262 -4.080 3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.614 -0.547 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.171 -0.284 2.065 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.138 -1.280 0.952 1.00 0.00 H new ATOM 704 N ALA A 53 4.047 -2.704 5.468 1.00 0.00 N ATOM 705 CA ALA A 53 2.726 -2.539 6.062 1.00 0.00 C ATOM 706 C ALA A 53 2.652 -1.260 6.891 1.00 0.00 C ATOM 707 O ALA A 53 1.641 -0.560 6.877 1.00 0.00 O ATOM 708 CB ALA A 53 2.378 -3.747 6.920 1.00 0.00 C ATOM 0 H ALA A 53 4.565 -3.514 5.808 1.00 0.00 H new ATOM 0 HA ALA A 53 1.999 -2.460 5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.389 -3.610 7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.380 -4.645 6.302 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.115 -3.852 7.716 1.00 0.00 H new ATOM 714 N GLU A 54 3.728 -0.966 7.613 1.00 0.00 N ATOM 715 CA GLU A 54 3.832 0.287 8.352 1.00 0.00 C ATOM 716 C GLU A 54 3.859 1.480 7.401 1.00 0.00 C ATOM 717 O GLU A 54 3.299 2.537 7.696 1.00 0.00 O ATOM 718 CB GLU A 54 5.080 0.288 9.238 1.00 0.00 C ATOM 719 CG GLU A 54 4.999 -0.645 10.439 1.00 0.00 C ATOM 720 CD GLU A 54 6.310 -0.707 11.170 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.255 -0.112 10.710 1.00 0.00 O ATOM 722 OE2 GLU A 54 6.343 -1.257 12.246 1.00 0.00 O ATOM 0 H GLU A 54 4.540 -1.577 7.702 1.00 0.00 H new ATOM 0 HA GLU A 54 2.952 0.376 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.941 0.007 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.258 1.303 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.218 -0.302 11.117 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.717 -1.644 10.108 1.00 0.00 H new ATOM 729 N ILE A 55 4.518 1.304 6.260 1.00 0.00 N ATOM 730 CA ILE A 55 4.559 2.339 5.235 1.00 0.00 C ATOM 731 C ILE A 55 3.171 2.596 4.656 1.00 0.00 C ATOM 732 O ILE A 55 2.795 3.741 4.404 1.00 0.00 O ATOM 733 CB ILE A 55 5.521 1.965 4.094 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.970 1.996 4.586 1.00 0.00 C ATOM 735 CG2 ILE A 55 5.337 2.906 2.912 1.00 0.00 C ATOM 736 CD1 ILE A 55 7.955 1.370 3.624 1.00 0.00 C ATOM 0 H ILE A 55 5.030 0.455 6.023 1.00 0.00 H new ATOM 0 HA ILE A 55 4.921 3.247 5.718 1.00 0.00 H new ATOM 0 HB ILE A 55 5.290 0.952 3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.260 3.031 4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.030 1.477 5.542 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.025 2.627 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.312 2.837 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.542 3.929 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.960 1.430 4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.691 0.325 3.462 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.925 1.903 2.674 1.00 0.00 H new ATOM 748 N ILE A 56 2.416 1.523 4.450 1.00 0.00 N ATOM 749 CA ILE A 56 1.046 1.636 3.963 1.00 0.00 C ATOM 750 C ILE A 56 0.164 2.372 4.967 1.00 0.00 C ATOM 751 O ILE A 56 -0.617 3.248 4.597 1.00 0.00 O ATOM 752 CB ILE A 56 0.434 0.255 3.671 1.00 0.00 C ATOM 753 CG1 ILE A 56 1.113 -0.384 2.457 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.066 0.374 3.445 1.00 0.00 C ATOM 755 CD1 ILE A 56 0.776 -1.846 2.268 1.00 0.00 C ATOM 0 H ILE A 56 2.729 0.566 4.612 1.00 0.00 H new ATOM 0 HA ILE A 56 1.088 2.206 3.035 1.00 0.00 H new ATOM 0 HB ILE A 56 0.600 -0.387 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.824 0.165 1.560 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.193 -0.280 2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.482 -0.612 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.537 0.788 4.337 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.255 1.031 2.596 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.294 -2.228 1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.090 -2.408 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.300 -1.957 2.132 1.00 0.00 H new ATOM 767 N THR A 57 0.298 2.010 6.240 1.00 0.00 N ATOM 768 CA THR A 57 -0.464 2.655 7.302 1.00 0.00 C ATOM 769 C THR A 57 0.028 4.078 7.545 1.00 0.00 C ATOM 770 O THR A 57 -0.718 4.928 8.032 1.00 0.00 O ATOM 771 CB THR A 57 -0.382 1.861 8.618 1.00 0.00 C ATOM 772 OG1 THR A 57 0.988 1.742 9.023 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.977 0.472 8.441 1.00 0.00 C ATOM 0 H THR A 57 0.927 1.274 6.560 1.00 0.00 H new ATOM 0 HA THR A 57 -1.502 2.684 6.972 1.00 0.00 H new ATOM 0 HB THR A 57 -0.949 2.393 9.382 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.567 2.133 8.336 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.910 -0.075 9.381 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.022 0.559 8.145 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.425 -0.065 7.669 1.00 0.00 H new ATOM 781 N ALA A 58 1.286 4.330 7.202 1.00 0.00 N ATOM 782 CA ALA A 58 1.859 5.665 7.326 1.00 0.00 C ATOM 783 C ALA A 58 1.168 6.647 6.385 1.00 0.00 C ATOM 784 O ALA A 58 1.253 7.860 6.568 1.00 0.00 O ATOM 785 CB ALA A 58 3.354 5.626 7.048 1.00 0.00 C ATOM 0 H ALA A 58 1.929 3.627 6.836 1.00 0.00 H new ATOM 0 HA ALA A 58 1.701 6.009 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.768 6.630 7.144 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.840 4.963 7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.527 5.258 6.037 1.00 0.00 H new ATOM 791 N ALA A 59 0.487 6.113 5.377 1.00 0.00 N ATOM 792 CA ALA A 59 -0.242 6.942 4.423 1.00 0.00 C ATOM 793 C ALA A 59 -1.569 7.414 5.008 1.00 0.00 C ATOM 794 O ALA A 59 -2.297 8.181 4.380 1.00 0.00 O ATOM 795 CB ALA A 59 -0.475 6.176 3.129 1.00 0.00 C ATOM 0 H ALA A 59 0.424 5.111 5.199 1.00 0.00 H new ATOM 0 HA ALA A 59 0.363 7.823 4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.020 6.806 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.484 5.894 2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.057 5.278 3.337 1.00 0.00 H new ATOM 801 N GLY A 60 -1.876 6.949 6.215 1.00 0.00 N ATOM 802 CA GLY A 60 -3.108 7.348 6.873 1.00 0.00 C ATOM 803 C GLY A 60 -4.243 6.378 6.615 1.00 0.00 C ATOM 804 O GLY A 60 -5.379 6.619 7.024 1.00 0.00 O ATOM 0 H GLY A 60 -1.294 6.303 6.749 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.935 7.423 7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.396 8.340 6.527 1.00 0.00 H new ATOM 808 N TYR A 61 -3.937 5.280 5.932 1.00 0.00 N ATOM 809 CA TYR A 61 -4.933 4.253 5.653 1.00 0.00 C ATOM 810 C TYR A 61 -4.537 2.923 6.286 1.00 0.00 C ATOM 811 O TYR A 61 -3.510 2.337 5.940 1.00 0.00 O ATOM 812 CB TYR A 61 -5.120 4.081 4.143 1.00 0.00 C ATOM 813 CG TYR A 61 -5.584 5.336 3.437 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.935 5.608 3.287 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.671 6.245 2.922 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.367 6.753 2.643 1.00 0.00 C ATOM 817 CE2 TYR A 61 -5.089 7.393 2.277 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.440 7.642 2.140 1.00 0.00 C ATOM 819 OH TYR A 61 -6.864 8.782 1.497 1.00 0.00 O ATOM 0 H TYR A 61 -3.008 5.079 5.562 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.878 4.575 6.090 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.176 3.757 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.844 3.286 3.964 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.663 4.914 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.614 6.051 3.027 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.423 6.950 2.535 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.364 8.090 1.883 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.634 8.570 0.930 1.00 0.00 H new ATOM 829 N THR A 62 -5.358 2.450 7.219 1.00 0.00 N ATOM 830 CA THR A 62 -5.038 1.252 7.983 1.00 0.00 C ATOM 831 C THR A 62 -6.297 0.459 8.314 1.00 0.00 C ATOM 832 O THR A 62 -7.356 1.020 8.601 1.00 0.00 O ATOM 833 CB THR A 62 -4.301 1.596 9.291 1.00 0.00 C ATOM 834 OG1 THR A 62 -4.014 0.391 10.013 1.00 0.00 O ATOM 835 CG2 THR A 62 -5.151 2.512 10.158 1.00 0.00 C ATOM 0 H THR A 62 -6.250 2.880 7.463 1.00 0.00 H new ATOM 0 HA THR A 62 -4.383 0.645 7.358 1.00 0.00 H new ATOM 0 HB THR A 62 -3.372 2.108 9.042 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.544 0.612 10.844 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.614 2.744 11.078 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.360 3.435 9.617 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.090 2.014 10.402 1.00 0.00 H new ATOM 843 N PRO A 63 -6.183 -0.877 8.277 1.00 0.00 N ATOM 844 CA PRO A 63 -7.267 -1.776 8.683 1.00 0.00 C ATOM 845 C PRO A 63 -7.546 -1.707 10.181 1.00 0.00 C ATOM 846 O PRO A 63 -8.593 -2.153 10.648 1.00 0.00 O ATOM 847 CB PRO A 63 -6.774 -3.163 8.260 1.00 0.00 C ATOM 848 CG PRO A 63 -5.288 -3.057 8.300 1.00 0.00 C ATOM 849 CD PRO A 63 -4.975 -1.654 7.852 1.00 0.00 C ATOM 0 HA PRO A 63 -8.217 -1.509 8.219 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -7.135 -3.937 8.937 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -7.127 -3.423 7.262 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.908 -3.243 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -4.824 -3.792 7.643 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.068 -1.275 8.322 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -4.822 -1.601 6.774 1.00 0.00 H new ATOM 857 N GLU A 64 -6.602 -1.145 10.930 1.00 0.00 N ATOM 858 CA GLU A 64 -6.745 -1.022 12.375 1.00 0.00 C ATOM 859 C GLU A 64 -7.822 0.000 12.728 1.00 0.00 C ATOM 860 O GLU A 64 -8.791 -0.320 13.417 1.00 0.00 O ATOM 861 CB GLU A 64 -5.413 -0.628 13.016 1.00 0.00 C ATOM 862 CG GLU A 64 -5.438 -0.578 14.537 1.00 0.00 C ATOM 863 CD GLU A 64 -4.084 -0.239 15.095 1.00 0.00 C ATOM 864 OE1 GLU A 64 -3.172 -0.063 14.323 1.00 0.00 O ATOM 865 OE2 GLU A 64 -3.984 -0.045 16.283 1.00 0.00 O ATOM 866 OXT GLU A 64 -7.731 1.129 12.335 1.00 0.00 O ATOM 0 H GLU A 64 -5.730 -0.768 10.559 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.048 -1.993 12.768 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.648 -1.337 12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.117 0.350 12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.166 0.164 14.867 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.765 -1.541 14.929 1.00 0.00 H new TER 873 GLU A 64