USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 440 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 Single : A 1 ARG N :NH3+ 129:sc= 0.0359 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= -0.408 USER MOD Single : A 11 THR OG1 : rot -5:sc= -0.0139 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 130:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -1.77 K(o=-1.8,f=-9.5!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 35 TYR OH : rot 180:sc= -1.52! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.99! C(o=-3!,f=-13!) USER MOD Single : A 44 ASN : amide:sc= -7.02! C(o=-7!,f=-16!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -2.22! USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.706 -5.526 6.803 1.00 0.00 N ATOM 2 CA ARG A 1 12.443 -4.969 6.239 1.00 0.00 C ATOM 3 C ARG A 1 11.413 -6.086 6.058 1.00 0.00 C ATOM 4 O ARG A 1 11.757 -7.219 5.782 1.00 0.00 O ATOM 5 CB ARG A 1 12.852 -4.355 4.891 1.00 0.00 C ATOM 6 CG ARG A 1 11.652 -4.270 3.936 1.00 0.00 C ATOM 7 CD ARG A 1 11.436 -2.815 3.511 1.00 0.00 C ATOM 8 NE ARG A 1 12.698 -2.418 2.824 1.00 0.00 N ATOM 9 CZ ARG A 1 12.984 -2.907 1.647 1.00 0.00 C ATOM 10 NH1 ARG A 1 13.459 -4.117 1.541 1.00 0.00 N ATOM 11 NH2 ARG A 1 12.797 -2.182 0.577 1.00 0.00 N ATOM 0 H1 ARG A 1 14.511 -5.218 6.222 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.831 -5.185 7.777 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.657 -6.565 6.804 1.00 0.00 H new ATOM 0 HA ARG A 1 11.979 -4.227 6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.264 -3.359 5.052 1.00 0.00 H new ATOM 0 HB3 ARG A 1 13.640 -4.957 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.827 -4.893 3.059 1.00 0.00 H new ATOM 0 HG3 ARG A 1 10.757 -4.653 4.426 1.00 0.00 H new ATOM 0 HD2 ARG A 1 10.579 -2.722 2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.240 -2.178 4.373 1.00 0.00 H new ATOM 0 HE ARG A 1 13.339 -1.764 3.273 1.00 0.00 H new ATOM 0 HH11 ARG A 1 13.607 -4.682 2.377 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.682 -4.499 0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.428 -1.235 0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 1 13.020 -2.563 -0.343 1.00 0.00 H new ATOM 27 N PRO A 2 10.177 -5.714 6.221 1.00 0.00 N ATOM 28 CA PRO A 2 9.052 -6.673 6.080 1.00 0.00 C ATOM 29 C PRO A 2 8.871 -7.101 4.627 1.00 0.00 C ATOM 30 O PRO A 2 9.340 -6.456 3.709 1.00 0.00 O ATOM 31 CB PRO A 2 7.842 -5.878 6.551 1.00 0.00 C ATOM 32 CG PRO A 2 8.221 -4.445 6.351 1.00 0.00 C ATOM 33 CD PRO A 2 9.711 -4.362 6.546 1.00 0.00 C ATOM 0 HA PRO A 2 9.213 -7.590 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.952 -6.135 5.976 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.616 -6.085 7.597 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.942 -4.106 5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.701 -3.804 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.160 -3.615 5.891 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.967 -4.085 7.569 1.00 0.00 H new ATOM 41 N ASP A 3 8.181 -8.184 4.416 1.00 0.00 N ATOM 42 CA ASP A 3 7.952 -8.663 3.030 1.00 0.00 C ATOM 43 C ASP A 3 6.702 -7.997 2.452 1.00 0.00 C ATOM 44 O ASP A 3 6.559 -7.867 1.253 1.00 0.00 O ATOM 45 CB ASP A 3 7.744 -10.174 3.161 1.00 0.00 C ATOM 46 CG ASP A 3 9.105 -10.871 3.216 1.00 0.00 C ATOM 47 OD1 ASP A 3 10.053 -10.320 2.685 1.00 0.00 O ATOM 48 OD2 ASP A 3 9.175 -11.944 3.793 1.00 0.00 O ATOM 0 H ASP A 3 7.765 -8.760 5.148 1.00 0.00 H new ATOM 0 HA ASP A 3 8.781 -8.425 2.364 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.172 -10.397 4.062 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.166 -10.547 2.316 1.00 0.00 H new ATOM 53 N PHE A 4 5.794 -7.564 3.291 1.00 0.00 N ATOM 54 CA PHE A 4 4.564 -6.906 2.755 1.00 0.00 C ATOM 55 C PHE A 4 4.926 -5.585 2.080 1.00 0.00 C ATOM 56 O PHE A 4 4.137 -5.011 1.358 1.00 0.00 O ATOM 57 CB PHE A 4 3.623 -6.691 3.949 1.00 0.00 C ATOM 58 CG PHE A 4 4.156 -5.639 4.900 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.074 -4.272 4.583 1.00 0.00 C ATOM 60 CD2 PHE A 4 4.708 -6.037 6.122 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.546 -3.318 5.488 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.184 -5.077 7.022 1.00 0.00 C ATOM 63 CZ PHE A 4 5.101 -3.718 6.705 1.00 0.00 C ATOM 0 H PHE A 4 5.849 -7.636 4.307 1.00 0.00 H new ATOM 0 HA PHE A 4 4.077 -7.521 1.999 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.640 -6.390 3.588 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.492 -7.632 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.647 -3.960 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.767 -7.086 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.481 -2.268 5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.616 -5.386 7.962 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.466 -2.978 7.401 1.00 0.00 H new ATOM 73 N CYS A 5 6.116 -5.103 2.304 1.00 0.00 N ATOM 74 CA CYS A 5 6.530 -3.820 1.669 1.00 0.00 C ATOM 75 C CYS A 5 7.079 -4.067 0.260 1.00 0.00 C ATOM 76 O CYS A 5 7.097 -3.186 -0.567 1.00 0.00 O ATOM 77 CB CYS A 5 7.625 -3.267 2.580 1.00 0.00 C ATOM 78 SG CYS A 5 6.865 -2.333 3.929 1.00 0.00 S ATOM 0 H CYS A 5 6.820 -5.541 2.899 1.00 0.00 H new ATOM 0 HA CYS A 5 5.695 -3.128 1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.227 -4.083 2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.297 -2.625 2.011 1.00 0.00 H new ATOM 83 N LEU A 6 7.530 -5.254 -0.023 1.00 0.00 N ATOM 84 CA LEU A 6 8.073 -5.528 -1.387 1.00 0.00 C ATOM 85 C LEU A 6 6.995 -6.148 -2.271 1.00 0.00 C ATOM 86 O LEU A 6 7.206 -6.408 -3.440 1.00 0.00 O ATOM 87 CB LEU A 6 9.224 -6.508 -1.166 1.00 0.00 C ATOM 88 CG LEU A 6 10.101 -5.993 -0.028 1.00 0.00 C ATOM 89 CD1 LEU A 6 11.119 -7.066 0.366 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.841 -4.734 -0.490 1.00 0.00 C ATOM 0 H LEU A 6 7.548 -6.043 0.623 1.00 0.00 H new ATOM 0 HA LEU A 6 8.406 -4.620 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.835 -7.497 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.812 -6.611 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 6 9.476 -5.757 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.743 -6.694 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.594 -7.963 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.746 -7.305 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.469 -4.363 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.464 -4.974 -1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.117 -3.968 -0.768 1.00 0.00 H new ATOM 102 N GLU A 7 5.841 -6.388 -1.720 1.00 0.00 N ATOM 103 CA GLU A 7 4.741 -6.994 -2.526 1.00 0.00 C ATOM 104 C GLU A 7 3.828 -5.904 -3.098 1.00 0.00 C ATOM 105 O GLU A 7 3.939 -4.747 -2.743 1.00 0.00 O ATOM 106 CB GLU A 7 3.974 -7.875 -1.543 1.00 0.00 C ATOM 107 CG GLU A 7 4.317 -9.342 -1.802 1.00 0.00 C ATOM 108 CD GLU A 7 3.982 -10.170 -0.561 1.00 0.00 C ATOM 109 OE1 GLU A 7 4.646 -9.985 0.446 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.067 -10.972 -0.638 1.00 0.00 O ATOM 0 H GLU A 7 5.609 -6.192 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 7 5.120 -7.561 -3.377 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.231 -7.605 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.902 -7.716 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.757 -9.711 -2.661 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.375 -9.442 -2.044 1.00 0.00 H new ATOM 117 N PRO A 8 2.952 -6.322 -3.972 1.00 0.00 N ATOM 118 CA PRO A 8 1.999 -5.382 -4.613 1.00 0.00 C ATOM 119 C PRO A 8 0.894 -4.991 -3.629 1.00 0.00 C ATOM 120 O PRO A 8 0.732 -5.617 -2.601 1.00 0.00 O ATOM 121 CB PRO A 8 1.423 -6.193 -5.771 1.00 0.00 C ATOM 122 CG PRO A 8 1.577 -7.624 -5.359 1.00 0.00 C ATOM 123 CD PRO A 8 2.768 -7.701 -4.439 1.00 0.00 C ATOM 0 HA PRO A 8 2.467 -4.452 -4.937 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.376 -5.943 -5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.958 -5.990 -6.699 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.678 -7.977 -4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.724 -8.261 -6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.586 -8.382 -3.608 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.652 -8.066 -4.962 1.00 0.00 H new ATOM 131 N PRO A 9 0.158 -3.973 -3.985 1.00 0.00 N ATOM 132 CA PRO A 9 -0.954 -3.506 -3.123 1.00 0.00 C ATOM 133 C PRO A 9 -2.092 -4.528 -3.155 1.00 0.00 C ATOM 134 O PRO A 9 -1.960 -5.598 -3.714 1.00 0.00 O ATOM 135 CB PRO A 9 -1.375 -2.183 -3.761 1.00 0.00 C ATOM 136 CG PRO A 9 -0.940 -2.292 -5.189 1.00 0.00 C ATOM 137 CD PRO A 9 0.284 -3.172 -5.208 1.00 0.00 C ATOM 0 HA PRO A 9 -0.677 -3.386 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.452 -2.033 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.900 -1.336 -3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.733 -2.720 -5.803 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.715 -1.308 -5.600 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.310 -3.801 -6.098 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.201 -2.582 -5.207 1.00 0.00 H new ATOM 145 N TYR A 10 -3.210 -4.216 -2.561 1.00 0.00 N ATOM 146 CA TYR A 10 -4.341 -5.187 -2.566 1.00 0.00 C ATOM 147 C TYR A 10 -5.673 -4.463 -2.410 1.00 0.00 C ATOM 148 O TYR A 10 -6.135 -4.216 -1.314 1.00 0.00 O ATOM 149 CB TYR A 10 -4.078 -6.099 -1.368 1.00 0.00 C ATOM 150 CG TYR A 10 -5.071 -7.238 -1.363 1.00 0.00 C ATOM 151 CD1 TYR A 10 -4.984 -8.251 -2.327 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.078 -7.282 -0.391 1.00 0.00 C ATOM 153 CE1 TYR A 10 -5.904 -9.307 -2.317 1.00 0.00 C ATOM 154 CE2 TYR A 10 -6.998 -8.338 -0.382 1.00 0.00 C ATOM 155 CZ TYR A 10 -6.910 -9.351 -1.345 1.00 0.00 C ATOM 156 OH TYR A 10 -7.815 -10.392 -1.335 1.00 0.00 O ATOM 0 H TYR A 10 -3.390 -3.337 -2.075 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.401 -5.744 -3.501 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.062 -6.491 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.159 -5.530 -0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.208 -8.218 -3.077 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.145 -6.501 0.352 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.837 -10.088 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.775 -8.371 0.367 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.446 -10.270 -0.595 1.00 0.00 H new ATOM 166 N THR A 11 -6.310 -4.151 -3.504 1.00 0.00 N ATOM 167 CA THR A 11 -7.630 -3.479 -3.422 1.00 0.00 C ATOM 168 C THR A 11 -8.567 -4.385 -2.631 1.00 0.00 C ATOM 169 O THR A 11 -9.548 -3.950 -2.060 1.00 0.00 O ATOM 170 CB THR A 11 -8.099 -3.336 -4.876 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.527 -2.167 -5.441 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.624 -3.226 -4.925 1.00 0.00 C ATOM 0 H THR A 11 -5.972 -4.333 -4.449 1.00 0.00 H new ATOM 0 HA THR A 11 -7.599 -2.507 -2.929 1.00 0.00 H new ATOM 0 HB THR A 11 -7.784 -4.213 -5.441 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.026 -1.683 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.948 -3.125 -5.961 1.00 0.00 H new ATOM 0 HG22 THR A 11 -10.068 -4.122 -4.492 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.944 -2.352 -4.357 1.00 0.00 H new ATOM 180 N GLY A 12 -8.262 -5.656 -2.602 1.00 0.00 N ATOM 181 CA GLY A 12 -9.122 -6.615 -1.856 1.00 0.00 C ATOM 182 C GLY A 12 -10.489 -6.702 -2.535 1.00 0.00 C ATOM 183 O GLY A 12 -10.904 -5.784 -3.216 1.00 0.00 O ATOM 0 H GLY A 12 -7.452 -6.070 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.653 -7.598 -1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.237 -6.290 -0.822 1.00 0.00 H new ATOM 187 N PRO A 13 -11.146 -7.810 -2.323 1.00 0.00 N ATOM 188 CA PRO A 13 -12.487 -8.027 -2.919 1.00 0.00 C ATOM 189 C PRO A 13 -13.514 -7.097 -2.269 1.00 0.00 C ATOM 190 O PRO A 13 -14.420 -7.533 -1.587 1.00 0.00 O ATOM 191 CB PRO A 13 -12.786 -9.490 -2.603 1.00 0.00 C ATOM 192 CG PRO A 13 -11.949 -9.801 -1.405 1.00 0.00 C ATOM 193 CD PRO A 13 -10.710 -8.953 -1.515 1.00 0.00 C ATOM 0 HA PRO A 13 -12.525 -7.816 -3.988 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -13.845 -9.641 -2.395 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.530 -10.136 -3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -12.491 -9.579 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -11.693 -10.860 -1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -10.351 -8.638 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.894 -9.495 -1.994 1.00 0.00 H new ATOM 201 N CYS A 14 -13.373 -5.817 -2.479 1.00 0.00 N ATOM 202 CA CYS A 14 -14.335 -4.848 -1.881 1.00 0.00 C ATOM 203 C CYS A 14 -14.998 -4.023 -2.989 1.00 0.00 C ATOM 204 O CYS A 14 -14.786 -4.261 -4.160 1.00 0.00 O ATOM 205 CB CYS A 14 -13.480 -3.954 -0.981 1.00 0.00 C ATOM 206 SG CYS A 14 -13.149 -4.804 0.583 1.00 0.00 S ATOM 0 H CYS A 14 -12.631 -5.399 -3.040 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.135 -5.338 -1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -12.542 -3.710 -1.479 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -13.995 -3.012 -0.793 1.00 0.00 H new ATOM 211 N LYS A 15 -15.797 -3.053 -2.631 1.00 0.00 N ATOM 212 CA LYS A 15 -16.466 -2.217 -3.672 1.00 0.00 C ATOM 213 C LYS A 15 -16.076 -0.745 -3.503 1.00 0.00 C ATOM 214 O LYS A 15 -16.669 0.135 -4.093 1.00 0.00 O ATOM 215 CB LYS A 15 -17.965 -2.404 -3.435 1.00 0.00 C ATOM 216 CG LYS A 15 -18.751 -1.710 -4.553 1.00 0.00 C ATOM 217 CD LYS A 15 -19.972 -2.557 -4.923 1.00 0.00 C ATOM 218 CE LYS A 15 -20.754 -1.868 -6.044 1.00 0.00 C ATOM 219 NZ LYS A 15 -22.009 -2.660 -6.180 1.00 0.00 N ATOM 0 H LYS A 15 -16.015 -2.804 -1.666 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.175 -2.509 -4.681 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.210 -3.466 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.245 -1.988 -2.467 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.068 -0.719 -4.228 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.114 -1.570 -5.427 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.655 -3.549 -5.244 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.611 -2.693 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.968 -0.829 -5.795 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.187 -1.863 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.599 -2.249 -6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.774 -3.643 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.530 -2.641 -5.280 1.00 0.00 H new ATOM 233 N ALA A 16 -15.083 -0.471 -2.701 1.00 0.00 N ATOM 234 CA ALA A 16 -14.659 0.943 -2.498 1.00 0.00 C ATOM 235 C ALA A 16 -13.472 1.276 -3.405 1.00 0.00 C ATOM 236 O ALA A 16 -12.850 0.401 -3.975 1.00 0.00 O ATOM 237 CB ALA A 16 -14.248 1.025 -1.027 1.00 0.00 C ATOM 0 H ALA A 16 -14.548 -1.165 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.452 1.650 -2.741 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.921 2.039 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.099 0.766 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.431 0.329 -0.838 1.00 0.00 H new ATOM 243 N ARG A 17 -13.153 2.534 -3.544 1.00 0.00 N ATOM 244 CA ARG A 17 -12.005 2.919 -4.412 1.00 0.00 C ATOM 245 C ARG A 17 -11.270 4.115 -3.807 1.00 0.00 C ATOM 246 O ARG A 17 -11.288 5.206 -4.340 1.00 0.00 O ATOM 247 CB ARG A 17 -12.629 3.292 -5.757 1.00 0.00 C ATOM 248 CG ARG A 17 -12.337 2.191 -6.776 1.00 0.00 C ATOM 249 CD ARG A 17 -13.335 1.047 -6.591 1.00 0.00 C ATOM 250 NE ARG A 17 -13.946 0.849 -7.934 1.00 0.00 N ATOM 251 CZ ARG A 17 -15.082 0.217 -8.046 1.00 0.00 C ATOM 252 NH1 ARG A 17 -16.070 0.508 -7.245 1.00 0.00 N ATOM 253 NH2 ARG A 17 -15.228 -0.704 -8.959 1.00 0.00 N ATOM 0 H ARG A 17 -13.637 3.311 -3.094 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.275 2.116 -4.515 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.705 3.424 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.225 4.242 -6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.408 2.589 -7.788 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.319 1.824 -6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.837 0.141 -6.246 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.091 1.299 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.477 1.207 -8.766 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.954 1.229 -6.533 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.959 0.015 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.454 -0.929 -9.584 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.116 -1.199 -9.047 1.00 0.00 H new ATOM 267 N ILE A 18 -10.623 3.913 -2.694 1.00 0.00 N ATOM 268 CA ILE A 18 -9.883 5.034 -2.048 1.00 0.00 C ATOM 269 C ILE A 18 -8.462 5.123 -2.614 1.00 0.00 C ATOM 270 O ILE A 18 -7.917 4.154 -3.105 1.00 0.00 O ATOM 271 CB ILE A 18 -9.849 4.682 -0.560 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.276 4.437 -0.064 1.00 0.00 C ATOM 273 CG2 ILE A 18 -9.232 5.840 0.225 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.231 3.854 1.350 1.00 0.00 C ATOM 0 H ILE A 18 -10.574 3.020 -2.203 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.357 6.000 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.250 3.783 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.839 5.371 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.793 3.751 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.208 5.589 1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.217 6.019 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.831 6.739 0.079 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.247 3.679 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.684 2.911 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.730 4.556 2.017 1.00 0.00 H new ATOM 286 N ILE A 19 -7.861 6.279 -2.552 1.00 0.00 N ATOM 287 CA ILE A 19 -6.480 6.432 -3.090 1.00 0.00 C ATOM 288 C ILE A 19 -5.455 6.222 -1.974 1.00 0.00 C ATOM 289 O ILE A 19 -5.050 7.152 -1.306 1.00 0.00 O ATOM 290 CB ILE A 19 -6.415 7.866 -3.617 1.00 0.00 C ATOM 291 CG1 ILE A 19 -7.530 8.082 -4.641 1.00 0.00 C ATOM 292 CG2 ILE A 19 -5.058 8.104 -4.282 1.00 0.00 C ATOM 293 CD1 ILE A 19 -7.248 7.242 -5.889 1.00 0.00 C ATOM 0 H ILE A 19 -8.267 7.125 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.256 5.703 -3.869 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.541 8.564 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.492 7.802 -4.211 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.594 9.137 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -5.011 9.126 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.263 7.949 -3.552 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.931 7.407 -5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.043 7.396 -6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.294 7.543 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.206 6.188 -5.616 1.00 0.00 H new ATOM 305 N ARG A 20 -5.036 5.005 -1.764 1.00 0.00 N ATOM 306 CA ARG A 20 -4.038 4.742 -0.687 1.00 0.00 C ATOM 307 C ARG A 20 -2.630 4.619 -1.282 1.00 0.00 C ATOM 308 O ARG A 20 -2.436 4.760 -2.472 1.00 0.00 O ATOM 309 CB ARG A 20 -4.483 3.427 -0.046 1.00 0.00 C ATOM 310 CG ARG A 20 -5.655 3.700 0.903 1.00 0.00 C ATOM 311 CD ARG A 20 -5.124 4.227 2.239 1.00 0.00 C ATOM 312 NE ARG A 20 -5.849 5.509 2.463 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.603 5.658 3.518 1.00 0.00 C ATOM 314 NH1 ARG A 20 -7.471 4.739 3.835 1.00 0.00 N ATOM 315 NH2 ARG A 20 -6.489 6.729 4.256 1.00 0.00 N ATOM 0 H ARG A 20 -5.339 4.184 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.994 5.550 0.044 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.781 2.716 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.654 2.976 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.334 4.427 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.227 2.786 1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.314 3.520 3.046 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.046 4.385 2.201 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.756 6.271 1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.562 3.902 3.259 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.060 4.856 4.660 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.811 7.449 4.008 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.078 6.845 5.080 1.00 0.00 H new ATOM 329 N TYR A 21 -1.643 4.371 -0.461 1.00 0.00 N ATOM 330 CA TYR A 21 -0.246 4.263 -0.981 1.00 0.00 C ATOM 331 C TYR A 21 0.324 2.859 -0.759 1.00 0.00 C ATOM 332 O TYR A 21 -0.051 2.159 0.160 1.00 0.00 O ATOM 333 CB TYR A 21 0.552 5.276 -0.159 1.00 0.00 C ATOM 334 CG TYR A 21 0.553 6.615 -0.853 1.00 0.00 C ATOM 335 CD1 TYR A 21 1.526 6.901 -1.816 1.00 0.00 C ATOM 336 CD2 TYR A 21 -0.414 7.571 -0.529 1.00 0.00 C ATOM 337 CE1 TYR A 21 1.532 8.144 -2.456 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.408 8.817 -1.168 1.00 0.00 C ATOM 339 CZ TYR A 21 0.565 9.102 -2.133 1.00 0.00 C ATOM 340 OH TYR A 21 0.572 10.329 -2.764 1.00 0.00 O ATOM 0 H TYR A 21 -1.743 4.239 0.545 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.204 4.453 -2.054 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.117 5.373 0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.575 4.925 -0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.273 6.162 -2.065 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.166 7.349 0.214 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.283 8.365 -3.200 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.153 9.557 -0.917 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.167 10.876 -2.424 1.00 0.00 H new ATOM 350 N PHE A 22 1.254 2.461 -1.585 1.00 0.00 N ATOM 351 CA PHE A 22 1.887 1.119 -1.425 1.00 0.00 C ATOM 352 C PHE A 22 3.338 1.179 -1.919 1.00 0.00 C ATOM 353 O PHE A 22 3.788 2.193 -2.405 1.00 0.00 O ATOM 354 CB PHE A 22 1.046 0.171 -2.287 1.00 0.00 C ATOM 355 CG PHE A 22 1.443 0.297 -3.740 1.00 0.00 C ATOM 356 CD1 PHE A 22 0.893 1.315 -4.529 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.356 -0.608 -4.298 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.258 1.430 -5.875 1.00 0.00 C ATOM 359 CE2 PHE A 22 2.719 -0.494 -5.645 1.00 0.00 C ATOM 360 CZ PHE A 22 2.170 0.525 -6.435 1.00 0.00 C ATOM 0 H PHE A 22 1.605 3.011 -2.369 1.00 0.00 H new ATOM 0 HA PHE A 22 1.915 0.785 -0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.185 -0.857 -1.952 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.012 0.404 -2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.188 2.011 -4.099 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.779 -1.393 -3.689 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.837 2.217 -6.483 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.422 -1.191 -6.076 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.449 0.613 -7.475 1.00 0.00 H new ATOM 370 N TYR A 23 4.070 0.107 -1.795 1.00 0.00 N ATOM 371 CA TYR A 23 5.496 0.117 -2.255 1.00 0.00 C ATOM 372 C TYR A 23 5.608 -0.432 -3.680 1.00 0.00 C ATOM 373 O TYR A 23 5.647 -1.630 -3.881 1.00 0.00 O ATOM 374 CB TYR A 23 6.223 -0.825 -1.295 1.00 0.00 C ATOM 375 CG TYR A 23 7.736 -0.696 -1.441 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.317 -0.155 -2.601 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.559 -1.112 -0.391 1.00 0.00 C ATOM 378 CE1 TYR A 23 9.709 -0.041 -2.699 1.00 0.00 C ATOM 379 CE2 TYR A 23 9.951 -0.991 -0.490 1.00 0.00 C ATOM 380 CZ TYR A 23 10.525 -0.458 -1.645 1.00 0.00 C ATOM 381 OH TYR A 23 11.897 -0.340 -1.744 1.00 0.00 O ATOM 0 H TYR A 23 3.748 -0.775 -1.397 1.00 0.00 H new ATOM 0 HA TYR A 23 5.910 1.125 -2.259 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.933 -0.599 -0.269 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.922 -1.854 -1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.690 0.173 -3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.119 -1.529 0.503 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.153 0.371 -3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.580 -1.310 0.328 1.00 0.00 H new ATOM 0 HH TYR A 23 12.246 0.102 -0.942 1.00 0.00 H new ATOM 391 N ASN A 24 5.722 0.414 -4.670 1.00 0.00 N ATOM 392 CA ASN A 24 5.892 -0.115 -6.048 1.00 0.00 C ATOM 393 C ASN A 24 7.371 -0.367 -6.284 1.00 0.00 C ATOM 394 O ASN A 24 8.008 0.327 -7.045 1.00 0.00 O ATOM 395 CB ASN A 24 5.394 0.977 -6.993 1.00 0.00 C ATOM 396 CG ASN A 24 5.227 0.392 -8.396 1.00 0.00 C ATOM 397 OD1 ASN A 24 5.846 -0.600 -8.729 1.00 0.00 O ATOM 398 ND2 ASN A 24 4.410 0.964 -9.238 1.00 0.00 N ATOM 0 H ASN A 24 5.705 1.430 -4.584 1.00 0.00 H new ATOM 0 HA ASN A 24 5.344 -1.044 -6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.444 1.377 -6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.101 1.806 -7.014 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.291 0.579 -10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.890 1.796 -8.959 1.00 0.00 H new ATOM 405 N ALA A 25 7.931 -1.344 -5.632 1.00 0.00 N ATOM 406 CA ALA A 25 9.378 -1.610 -5.841 1.00 0.00 C ATOM 407 C ALA A 25 9.658 -1.605 -7.342 1.00 0.00 C ATOM 408 O ALA A 25 10.744 -1.287 -7.783 1.00 0.00 O ATOM 409 CB ALA A 25 9.640 -2.977 -5.213 1.00 0.00 C ATOM 0 H ALA A 25 7.458 -1.962 -4.973 1.00 0.00 H new ATOM 0 HA ALA A 25 10.028 -0.861 -5.388 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.692 -3.236 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.392 -2.944 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.023 -3.728 -5.706 1.00 0.00 H new ATOM 415 N LYS A 26 8.660 -1.907 -8.133 1.00 0.00 N ATOM 416 CA LYS A 26 8.846 -1.868 -9.607 1.00 0.00 C ATOM 417 C LYS A 26 9.190 -0.433 -10.002 1.00 0.00 C ATOM 418 O LYS A 26 10.005 -0.189 -10.870 1.00 0.00 O ATOM 419 CB LYS A 26 7.495 -2.282 -10.195 1.00 0.00 C ATOM 420 CG LYS A 26 7.687 -3.450 -11.164 1.00 0.00 C ATOM 421 CD LYS A 26 6.370 -4.215 -11.308 1.00 0.00 C ATOM 422 CE LYS A 26 6.218 -4.709 -12.748 1.00 0.00 C ATOM 423 NZ LYS A 26 5.003 -4.019 -13.267 1.00 0.00 N ATOM 0 H LYS A 26 7.728 -2.178 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 26 9.642 -2.522 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.813 -2.570 -9.395 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.040 -1.438 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.013 -3.080 -12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.468 -4.116 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.351 -5.060 -10.619 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.532 -3.570 -11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.097 -4.463 -13.344 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.102 -5.792 -12.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.834 -4.308 -14.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.181 -4.277 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.145 -2.989 -13.228 1.00 0.00 H new ATOM 437 N ALA A 27 8.580 0.524 -9.346 1.00 0.00 N ATOM 438 CA ALA A 27 8.877 1.949 -9.652 1.00 0.00 C ATOM 439 C ALA A 27 10.131 2.388 -8.888 1.00 0.00 C ATOM 440 O ALA A 27 10.894 3.214 -9.349 1.00 0.00 O ATOM 441 CB ALA A 27 7.651 2.724 -9.167 1.00 0.00 C ATOM 0 H ALA A 27 7.889 0.375 -8.611 1.00 0.00 H new ATOM 0 HA ALA A 27 9.067 2.120 -10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.794 3.788 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.766 2.375 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.518 2.562 -8.097 1.00 0.00 H new ATOM 447 N GLY A 28 10.355 1.833 -7.723 1.00 0.00 N ATOM 448 CA GLY A 28 11.568 2.212 -6.940 1.00 0.00 C ATOM 449 C GLY A 28 11.173 2.775 -5.573 1.00 0.00 C ATOM 450 O GLY A 28 12.010 2.961 -4.710 1.00 0.00 O ATOM 0 H GLY A 28 9.753 1.137 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.210 1.341 -6.809 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.146 2.953 -7.491 1.00 0.00 H new ATOM 454 N LEU A 29 9.916 3.050 -5.354 1.00 0.00 N ATOM 455 CA LEU A 29 9.508 3.603 -4.038 1.00 0.00 C ATOM 456 C LEU A 29 8.053 3.239 -3.750 1.00 0.00 C ATOM 457 O LEU A 29 7.600 2.158 -4.069 1.00 0.00 O ATOM 458 CB LEU A 29 9.676 5.118 -4.180 1.00 0.00 C ATOM 459 CG LEU A 29 8.773 5.633 -5.303 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.007 6.866 -4.820 1.00 0.00 C ATOM 461 CD2 LEU A 29 9.632 6.011 -6.513 1.00 0.00 C ATOM 0 H LEU A 29 9.161 2.916 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 29 10.101 3.208 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.423 5.611 -3.242 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.717 5.360 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 29 8.065 4.854 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.364 7.232 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.396 6.600 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.714 7.646 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.991 6.378 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.339 6.790 -6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.179 5.134 -6.859 1.00 0.00 H new ATOM 473 N CYS A 30 7.319 4.135 -3.162 1.00 0.00 N ATOM 474 CA CYS A 30 5.889 3.848 -2.864 1.00 0.00 C ATOM 475 C CYS A 30 4.997 4.647 -3.814 1.00 0.00 C ATOM 476 O CYS A 30 5.374 5.698 -4.294 1.00 0.00 O ATOM 477 CB CYS A 30 5.683 4.297 -1.417 1.00 0.00 C ATOM 478 SG CYS A 30 6.658 3.243 -0.314 1.00 0.00 S ATOM 0 H CYS A 30 7.646 5.057 -2.873 1.00 0.00 H new ATOM 0 HA CYS A 30 5.636 2.796 -2.994 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.983 5.338 -1.302 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.627 4.239 -1.154 1.00 0.00 H new ATOM 483 N GLN A 31 3.826 4.156 -4.104 1.00 0.00 N ATOM 484 CA GLN A 31 2.928 4.893 -5.036 1.00 0.00 C ATOM 485 C GLN A 31 1.476 4.793 -4.570 1.00 0.00 C ATOM 486 O GLN A 31 1.171 4.165 -3.576 1.00 0.00 O ATOM 487 CB GLN A 31 3.104 4.196 -6.384 1.00 0.00 C ATOM 488 CG GLN A 31 4.514 4.454 -6.911 1.00 0.00 C ATOM 489 CD GLN A 31 4.443 4.824 -8.393 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.371 4.920 -8.956 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.548 5.036 -9.056 1.00 0.00 N ATOM 0 H GLN A 31 3.452 3.280 -3.738 1.00 0.00 H new ATOM 0 HA GLN A 31 3.170 5.955 -5.086 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.935 3.125 -6.276 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.365 4.565 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.984 5.259 -6.346 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.133 3.567 -6.776 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.449 4.956 -8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.510 5.282 -10.045 1.00 0.00 H new ATOM 500 N THR A 32 0.578 5.405 -5.288 1.00 0.00 N ATOM 501 CA THR A 32 -0.855 5.342 -4.896 1.00 0.00 C ATOM 502 C THR A 32 -1.531 4.161 -5.588 1.00 0.00 C ATOM 503 O THR A 32 -1.177 3.788 -6.688 1.00 0.00 O ATOM 504 CB THR A 32 -1.452 6.667 -5.373 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.691 7.156 -6.468 1.00 0.00 O ATOM 506 CG2 THR A 32 -1.414 7.684 -4.232 1.00 0.00 C ATOM 0 H THR A 32 0.775 5.946 -6.130 1.00 0.00 H new ATOM 0 HA THR A 32 -0.991 5.201 -3.824 1.00 0.00 H new ATOM 0 HB THR A 32 -2.485 6.511 -5.685 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.071 8.004 -6.778 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.839 8.628 -4.572 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.994 7.307 -3.389 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.382 7.843 -3.920 1.00 0.00 H new ATOM 514 N PHE A 33 -2.501 3.568 -4.952 1.00 0.00 N ATOM 515 CA PHE A 33 -3.195 2.410 -5.583 1.00 0.00 C ATOM 516 C PHE A 33 -4.661 2.366 -5.153 1.00 0.00 C ATOM 517 O PHE A 33 -5.071 3.038 -4.227 1.00 0.00 O ATOM 518 CB PHE A 33 -2.433 1.168 -5.101 1.00 0.00 C ATOM 519 CG PHE A 33 -2.879 0.769 -3.710 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.283 1.357 -2.584 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.878 -0.200 -3.545 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.688 0.976 -1.299 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.283 -0.579 -2.259 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.687 0.010 -1.135 1.00 0.00 C ATOM 0 H PHE A 33 -2.843 3.832 -4.028 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.198 2.475 -6.671 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.601 0.342 -5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.362 1.371 -5.100 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.512 2.103 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.336 -0.655 -4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.228 1.429 -0.433 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.054 -1.325 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.999 -0.282 -0.143 1.00 0.00 H new ATOM 534 N VAL A 34 -5.457 1.587 -5.831 1.00 0.00 N ATOM 535 CA VAL A 34 -6.901 1.504 -5.477 1.00 0.00 C ATOM 536 C VAL A 34 -7.087 0.686 -4.198 1.00 0.00 C ATOM 537 O VAL A 34 -6.693 -0.460 -4.117 1.00 0.00 O ATOM 538 CB VAL A 34 -7.563 0.801 -6.664 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.084 0.908 -6.537 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.117 1.465 -7.967 1.00 0.00 C ATOM 0 H VAL A 34 -5.169 1.003 -6.616 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.336 2.486 -5.291 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.269 -0.249 -6.671 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.556 0.407 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.406 0.435 -5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.375 1.958 -6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.589 0.963 -8.811 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.410 2.515 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.034 1.391 -8.061 1.00 0.00 H new ATOM 550 N TYR A 35 -7.688 1.269 -3.201 1.00 0.00 N ATOM 551 CA TYR A 35 -7.907 0.531 -1.923 1.00 0.00 C ATOM 552 C TYR A 35 -9.373 0.091 -1.826 1.00 0.00 C ATOM 553 O TYR A 35 -10.268 0.796 -2.247 1.00 0.00 O ATOM 554 CB TYR A 35 -7.563 1.545 -0.836 1.00 0.00 C ATOM 555 CG TYR A 35 -7.863 0.958 0.518 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.692 -0.414 0.743 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.312 1.787 1.551 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.971 -0.954 2.004 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.591 1.248 2.810 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.420 -0.122 3.039 1.00 0.00 C ATOM 561 OH TYR A 35 -8.695 -0.651 4.282 1.00 0.00 O ATOM 0 H TYR A 35 -8.039 2.227 -3.214 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.303 -0.372 -1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.510 1.818 -0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.138 2.459 -0.982 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.346 -1.054 -0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.443 2.845 1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.840 -2.012 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.939 1.889 3.607 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.994 0.063 4.883 1.00 0.00 H new ATOM 571 N GLY A 36 -9.630 -1.074 -1.293 1.00 0.00 N ATOM 572 CA GLY A 36 -11.040 -1.554 -1.199 1.00 0.00 C ATOM 573 C GLY A 36 -11.676 -1.098 0.116 1.00 0.00 C ATOM 574 O GLY A 36 -12.829 -1.378 0.380 1.00 0.00 O ATOM 0 H GLY A 36 -8.927 -1.712 -0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.617 -1.171 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.065 -2.642 -1.264 1.00 0.00 H new ATOM 578 N ALA A 37 -10.940 -0.406 0.947 1.00 0.00 N ATOM 579 CA ALA A 37 -11.510 0.058 2.250 1.00 0.00 C ATOM 580 C ALA A 37 -11.668 -1.127 3.210 1.00 0.00 C ATOM 581 O ALA A 37 -12.122 -0.975 4.327 1.00 0.00 O ATOM 582 CB ALA A 37 -12.877 0.663 1.913 1.00 0.00 C ATOM 0 H ALA A 37 -9.969 -0.142 0.781 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.862 0.784 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.350 1.024 2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.746 1.494 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.508 -0.097 1.453 1.00 0.00 H new ATOM 588 N CYS A 38 -11.290 -2.302 2.788 1.00 0.00 N ATOM 589 CA CYS A 38 -11.411 -3.496 3.681 1.00 0.00 C ATOM 590 C CYS A 38 -10.377 -4.552 3.284 1.00 0.00 C ATOM 591 O CYS A 38 -9.679 -4.410 2.300 1.00 0.00 O ATOM 592 CB CYS A 38 -12.841 -4.054 3.511 1.00 0.00 C ATOM 593 SG CYS A 38 -13.629 -3.440 1.993 1.00 0.00 S ATOM 0 H CYS A 38 -10.902 -2.490 1.864 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.229 -3.224 4.721 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.806 -5.143 3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.446 -3.773 4.373 1.00 0.00 H new ATOM 598 N ARG A 39 -10.265 -5.604 4.049 1.00 0.00 N ATOM 599 CA ARG A 39 -9.265 -6.659 3.718 1.00 0.00 C ATOM 600 C ARG A 39 -7.935 -6.003 3.343 1.00 0.00 C ATOM 601 O ARG A 39 -7.143 -6.553 2.605 1.00 0.00 O ATOM 602 CB ARG A 39 -9.852 -7.411 2.524 1.00 0.00 C ATOM 603 CG ARG A 39 -10.086 -8.872 2.912 1.00 0.00 C ATOM 604 CD ARG A 39 -11.499 -9.290 2.502 1.00 0.00 C ATOM 605 NE ARG A 39 -12.247 -9.426 3.781 1.00 0.00 N ATOM 606 CZ ARG A 39 -13.222 -10.287 3.876 1.00 0.00 C ATOM 607 NH1 ARG A 39 -13.035 -11.524 3.507 1.00 0.00 N ATOM 608 NH2 ARG A 39 -14.384 -9.911 4.337 1.00 0.00 N ATOM 0 H ARG A 39 -10.821 -5.778 4.886 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.072 -7.330 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.790 -6.950 2.215 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.173 -7.353 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.350 -9.511 2.424 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.955 -8.999 3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.959 -8.544 1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.488 -10.230 1.949 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.998 -8.847 4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.127 -11.817 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.796 -12.199 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.530 -8.943 4.623 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.146 -10.585 4.411 1.00 0.00 H new ATOM 622 N ALA A 40 -7.690 -4.824 3.845 1.00 0.00 N ATOM 623 CA ALA A 40 -6.420 -4.118 3.519 1.00 0.00 C ATOM 624 C ALA A 40 -5.217 -4.901 4.046 1.00 0.00 C ATOM 625 O ALA A 40 -5.249 -5.458 5.126 1.00 0.00 O ATOM 626 CB ALA A 40 -6.523 -2.770 4.230 1.00 0.00 C ATOM 0 H ALA A 40 -8.318 -4.318 4.469 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.280 -4.010 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.622 -2.188 4.038 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.392 -2.227 3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.629 -2.932 5.303 1.00 0.00 H new ATOM 632 N LYS A 41 -4.151 -4.936 3.295 1.00 0.00 N ATOM 633 CA LYS A 41 -2.939 -5.666 3.755 1.00 0.00 C ATOM 634 C LYS A 41 -1.977 -4.679 4.416 1.00 0.00 C ATOM 635 O LYS A 41 -2.355 -3.582 4.774 1.00 0.00 O ATOM 636 CB LYS A 41 -2.323 -6.257 2.486 1.00 0.00 C ATOM 637 CG LYS A 41 -3.333 -7.189 1.813 1.00 0.00 C ATOM 638 CD LYS A 41 -2.648 -7.954 0.680 1.00 0.00 C ATOM 639 CE LYS A 41 -1.904 -9.162 1.253 1.00 0.00 C ATOM 640 NZ LYS A 41 -2.825 -10.313 1.050 1.00 0.00 N ATOM 0 H LYS A 41 -4.068 -4.490 2.382 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.164 -6.442 4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.038 -5.458 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.414 -6.806 2.732 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.741 -7.888 2.543 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.171 -6.612 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.388 -8.283 -0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.951 -7.300 0.155 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.955 -9.321 0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.676 -9.020 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.384 -11.180 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.717 -10.137 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.019 -10.428 0.035 1.00 0.00 H new ATOM 654 N ARG A 42 -0.739 -5.047 4.577 1.00 0.00 N ATOM 655 CA ARG A 42 0.226 -4.109 5.212 1.00 0.00 C ATOM 656 C ARG A 42 0.796 -3.150 4.158 1.00 0.00 C ATOM 657 O ARG A 42 1.461 -2.185 4.479 1.00 0.00 O ATOM 658 CB ARG A 42 1.317 -5.001 5.801 1.00 0.00 C ATOM 659 CG ARG A 42 0.680 -6.054 6.712 1.00 0.00 C ATOM 660 CD ARG A 42 1.766 -6.972 7.280 1.00 0.00 C ATOM 661 NE ARG A 42 1.855 -8.108 6.319 1.00 0.00 N ATOM 662 CZ ARG A 42 1.993 -9.330 6.762 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.409 -9.542 7.980 1.00 0.00 N ATOM 664 NH2 ARG A 42 1.714 -10.342 5.983 1.00 0.00 N ATOM 0 H ARG A 42 -0.355 -5.950 4.299 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.235 -3.487 5.980 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.875 -5.487 5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.028 -4.399 6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.141 -5.567 7.525 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.049 -6.640 6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.719 -6.450 7.363 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.505 -7.320 8.279 1.00 0.00 H new ATOM 0 HE ARG A 42 1.808 -7.932 5.315 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.627 -8.753 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.516 -10.496 8.324 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.389 -10.178 5.030 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.821 -11.296 6.328 1.00 0.00 H new ATOM 678 N ASN A 43 0.525 -3.401 2.903 1.00 0.00 N ATOM 679 CA ASN A 43 1.034 -2.491 1.830 1.00 0.00 C ATOM 680 C ASN A 43 -0.064 -1.494 1.443 1.00 0.00 C ATOM 681 O ASN A 43 -0.426 -1.365 0.291 1.00 0.00 O ATOM 682 CB ASN A 43 1.363 -3.411 0.650 1.00 0.00 C ATOM 683 CG ASN A 43 2.524 -2.824 -0.162 1.00 0.00 C ATOM 684 OD1 ASN A 43 2.526 -1.655 -0.495 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.518 -3.596 -0.505 1.00 0.00 N ATOM 0 H ASN A 43 -0.025 -4.194 2.574 1.00 0.00 H new ATOM 0 HA ASN A 43 1.903 -1.914 2.146 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.628 -4.404 1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.486 -3.529 0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.293 -3.218 -1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.521 -4.578 -0.228 1.00 0.00 H new ATOM 692 N ASN A 44 -0.595 -0.795 2.409 1.00 0.00 N ATOM 693 CA ASN A 44 -1.678 0.196 2.130 1.00 0.00 C ATOM 694 C ASN A 44 -1.508 1.400 3.064 1.00 0.00 C ATOM 695 O ASN A 44 -2.114 1.473 4.114 1.00 0.00 O ATOM 696 CB ASN A 44 -2.973 -0.565 2.440 1.00 0.00 C ATOM 697 CG ASN A 44 -4.177 0.384 2.414 1.00 0.00 C ATOM 698 OD1 ASN A 44 -4.040 1.570 2.636 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.364 -0.103 2.151 1.00 0.00 N ATOM 0 H ASN A 44 -0.323 -0.868 3.389 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.669 0.579 1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.116 -1.362 1.711 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.897 -1.038 3.419 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.176 0.514 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.477 -1.100 1.965 1.00 0.00 H new ATOM 706 N PHE A 45 -0.674 2.337 2.694 1.00 0.00 N ATOM 707 CA PHE A 45 -0.447 3.524 3.569 1.00 0.00 C ATOM 708 C PHE A 45 -1.234 4.730 3.049 1.00 0.00 C ATOM 709 O PHE A 45 -1.701 4.744 1.932 1.00 0.00 O ATOM 710 CB PHE A 45 1.062 3.776 3.495 1.00 0.00 C ATOM 711 CG PHE A 45 1.803 2.479 3.753 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.013 1.571 2.707 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.277 2.183 5.039 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.697 0.368 2.945 1.00 0.00 C ATOM 715 CE2 PHE A 45 2.960 0.978 5.277 1.00 0.00 C ATOM 716 CZ PHE A 45 3.170 0.071 4.229 1.00 0.00 C ATOM 0 H PHE A 45 -0.141 2.331 1.824 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.782 3.359 4.593 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.328 4.171 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.353 4.526 4.230 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.648 1.797 1.716 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.117 2.881 5.847 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.859 -0.329 2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.323 0.751 6.268 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.695 -0.855 4.412 1.00 0.00 H new ATOM 726 N LYS A 46 -1.391 5.742 3.857 1.00 0.00 N ATOM 727 CA LYS A 46 -2.154 6.939 3.406 1.00 0.00 C ATOM 728 C LYS A 46 -1.207 7.971 2.793 1.00 0.00 C ATOM 729 O LYS A 46 -1.624 8.881 2.103 1.00 0.00 O ATOM 730 CB LYS A 46 -2.804 7.497 4.672 1.00 0.00 C ATOM 731 CG LYS A 46 -3.445 6.356 5.463 1.00 0.00 C ATOM 732 CD LYS A 46 -4.123 6.918 6.713 1.00 0.00 C ATOM 733 CE LYS A 46 -4.779 5.779 7.496 1.00 0.00 C ATOM 734 NZ LYS A 46 -5.789 6.441 8.367 1.00 0.00 N ATOM 0 H LYS A 46 -1.025 5.792 4.808 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.892 6.692 2.643 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.057 8.003 5.284 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.557 8.240 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.175 5.836 4.843 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.687 5.625 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.390 7.428 7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.872 7.658 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.248 5.058 6.826 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.045 5.233 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.281 5.723 8.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.313 7.116 8.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.479 6.947 7.776 1.00 0.00 H new ATOM 748 N SER A 47 0.068 7.836 3.038 1.00 0.00 N ATOM 749 CA SER A 47 1.037 8.814 2.467 1.00 0.00 C ATOM 750 C SER A 47 2.315 8.106 2.022 1.00 0.00 C ATOM 751 O SER A 47 2.666 7.058 2.523 1.00 0.00 O ATOM 752 CB SER A 47 1.334 9.791 3.602 1.00 0.00 C ATOM 753 OG SER A 47 1.989 9.102 4.656 1.00 0.00 O ATOM 0 H SER A 47 0.479 7.095 3.606 1.00 0.00 H new ATOM 0 HA SER A 47 0.636 9.319 1.588 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.961 10.606 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.408 10.237 3.964 1.00 0.00 H new ATOM 0 HG SER A 47 2.182 9.727 5.385 1.00 0.00 H new ATOM 759 N ALA A 48 3.013 8.682 1.087 1.00 0.00 N ATOM 760 CA ALA A 48 4.276 8.057 0.601 1.00 0.00 C ATOM 761 C ALA A 48 5.339 8.100 1.702 1.00 0.00 C ATOM 762 O ALA A 48 6.223 7.268 1.761 1.00 0.00 O ATOM 763 CB ALA A 48 4.704 8.917 -0.589 1.00 0.00 C ATOM 0 H ALA A 48 2.764 9.562 0.635 1.00 0.00 H new ATOM 0 HA ALA A 48 4.145 7.011 0.324 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.630 8.524 -1.008 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.925 8.898 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.863 9.943 -0.258 1.00 0.00 H new ATOM 769 N GLU A 49 5.254 9.068 2.572 1.00 0.00 N ATOM 770 CA GLU A 49 6.256 9.176 3.675 1.00 0.00 C ATOM 771 C GLU A 49 5.962 8.136 4.757 1.00 0.00 C ATOM 772 O GLU A 49 6.786 7.855 5.605 1.00 0.00 O ATOM 773 CB GLU A 49 6.080 10.587 4.230 1.00 0.00 C ATOM 774 CG GLU A 49 7.447 11.153 4.626 1.00 0.00 C ATOM 775 CD GLU A 49 7.284 12.103 5.814 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.197 12.151 6.367 1.00 0.00 O ATOM 777 OE2 GLU A 49 8.250 12.767 6.152 1.00 0.00 O ATOM 0 H GLU A 49 4.534 9.791 2.569 1.00 0.00 H new ATOM 0 HA GLU A 49 7.274 8.997 3.329 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.612 11.228 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.417 10.569 5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.126 10.341 4.887 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.891 11.682 3.783 1.00 0.00 H new ATOM 784 N ASP A 50 4.793 7.564 4.730 1.00 0.00 N ATOM 785 CA ASP A 50 4.438 6.542 5.752 1.00 0.00 C ATOM 786 C ASP A 50 4.736 5.148 5.207 1.00 0.00 C ATOM 787 O ASP A 50 4.984 4.219 5.947 1.00 0.00 O ATOM 788 CB ASP A 50 2.938 6.718 5.991 1.00 0.00 C ATOM 789 CG ASP A 50 2.537 5.992 7.277 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.983 6.410 8.331 1.00 0.00 O ATOM 791 OD2 ASP A 50 1.789 5.032 7.184 1.00 0.00 O ATOM 0 H ASP A 50 4.066 7.760 4.043 1.00 0.00 H new ATOM 0 HA ASP A 50 5.007 6.658 6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.693 7.777 6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.375 6.321 5.146 1.00 0.00 H new ATOM 796 N CYS A 51 4.730 5.001 3.913 1.00 0.00 N ATOM 797 CA CYS A 51 5.027 3.669 3.317 1.00 0.00 C ATOM 798 C CYS A 51 6.525 3.380 3.439 1.00 0.00 C ATOM 799 O CYS A 51 6.930 2.323 3.883 1.00 0.00 O ATOM 800 CB CYS A 51 4.617 3.794 1.849 1.00 0.00 C ATOM 801 SG CYS A 51 5.291 2.399 0.910 1.00 0.00 S ATOM 0 H CYS A 51 4.533 5.744 3.242 1.00 0.00 H new ATOM 0 HA CYS A 51 4.498 2.855 3.813 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.530 3.811 1.764 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.984 4.734 1.437 1.00 0.00 H new ATOM 806 N MET A 52 7.348 4.318 3.050 1.00 0.00 N ATOM 807 CA MET A 52 8.823 4.105 3.140 1.00 0.00 C ATOM 808 C MET A 52 9.259 3.991 4.605 1.00 0.00 C ATOM 809 O MET A 52 9.972 3.083 4.975 1.00 0.00 O ATOM 810 CB MET A 52 9.445 5.343 2.490 1.00 0.00 C ATOM 811 CG MET A 52 10.001 4.971 1.114 1.00 0.00 C ATOM 812 SD MET A 52 11.809 5.022 1.161 1.00 0.00 S ATOM 813 CE MET A 52 12.105 4.182 -0.415 1.00 0.00 C ATOM 0 H MET A 52 7.063 5.222 2.674 1.00 0.00 H new ATOM 0 HA MET A 52 9.135 3.185 2.646 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.697 6.130 2.391 1.00 0.00 H new ATOM 0 HB3 MET A 52 10.241 5.737 3.121 1.00 0.00 H new ATOM 0 HG2 MET A 52 9.662 3.975 0.830 1.00 0.00 H new ATOM 0 HG3 MET A 52 9.626 5.663 0.359 1.00 0.00 H new ATOM 0 HE1 MET A 52 13.178 4.104 -0.590 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.669 3.184 -0.383 1.00 0.00 H new ATOM 0 HE3 MET A 52 11.647 4.752 -1.223 1.00 0.00 H new ATOM 823 N ARG A 53 8.840 4.900 5.445 1.00 0.00 N ATOM 824 CA ARG A 53 9.247 4.815 6.878 1.00 0.00 C ATOM 825 C ARG A 53 9.087 3.375 7.369 1.00 0.00 C ATOM 826 O ARG A 53 9.808 2.916 8.233 1.00 0.00 O ATOM 827 CB ARG A 53 8.309 5.767 7.626 1.00 0.00 C ATOM 828 CG ARG A 53 6.941 5.109 7.828 1.00 0.00 C ATOM 829 CD ARG A 53 6.908 4.400 9.183 1.00 0.00 C ATOM 830 NE ARG A 53 7.235 5.459 10.176 1.00 0.00 N ATOM 831 CZ ARG A 53 7.985 5.180 11.207 1.00 0.00 C ATOM 832 NH1 ARG A 53 8.174 3.936 11.559 1.00 0.00 N ATOM 833 NH2 ARG A 53 8.544 6.143 11.886 1.00 0.00 N ATOM 0 H ARG A 53 8.240 5.689 5.205 1.00 0.00 H new ATOM 0 HA ARG A 53 10.289 5.092 7.037 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.740 6.030 8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.196 6.694 7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.154 5.861 7.781 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.748 4.395 7.028 1.00 0.00 H new ATOM 0 HD2 ARG A 53 5.928 3.965 9.378 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.632 3.586 9.221 1.00 0.00 H new ATOM 0 HE ARG A 53 6.873 6.404 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 53 7.736 3.184 11.028 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.760 3.717 12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.395 7.114 11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.130 5.925 12.692 1.00 0.00 H new ATOM 847 N THR A 54 8.160 2.654 6.801 1.00 0.00 N ATOM 848 CA THR A 54 7.952 1.236 7.205 1.00 0.00 C ATOM 849 C THR A 54 8.529 0.319 6.126 1.00 0.00 C ATOM 850 O THR A 54 8.988 -0.773 6.395 1.00 0.00 O ATOM 851 CB THR A 54 6.429 1.074 7.302 1.00 0.00 C ATOM 852 OG1 THR A 54 5.998 1.458 8.599 1.00 0.00 O ATOM 853 CG2 THR A 54 6.039 -0.382 7.047 1.00 0.00 C ATOM 0 H THR A 54 7.534 2.989 6.069 1.00 0.00 H new ATOM 0 HA THR A 54 8.441 0.982 8.145 1.00 0.00 H new ATOM 0 HB THR A 54 5.953 1.706 6.552 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.025 1.357 8.664 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.956 -0.486 7.118 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.367 -0.677 6.051 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.515 -1.022 7.790 1.00 0.00 H new ATOM 861 N CYS A 55 8.488 0.759 4.902 1.00 0.00 N ATOM 862 CA CYS A 55 9.010 -0.071 3.783 1.00 0.00 C ATOM 863 C CYS A 55 10.409 0.391 3.366 1.00 0.00 C ATOM 864 O CYS A 55 10.863 0.108 2.275 1.00 0.00 O ATOM 865 CB CYS A 55 8.014 0.154 2.647 1.00 0.00 C ATOM 866 SG CYS A 55 6.410 -0.549 3.099 1.00 0.00 S ATOM 0 H CYS A 55 8.112 1.666 4.626 1.00 0.00 H new ATOM 0 HA CYS A 55 9.103 -1.122 4.058 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.911 1.220 2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.381 -0.310 1.731 1.00 0.00 H new ATOM 871 N GLY A 56 11.095 1.096 4.219 1.00 0.00 N ATOM 872 CA GLY A 56 12.460 1.571 3.860 1.00 0.00 C ATOM 873 C GLY A 56 13.444 1.199 4.970 1.00 0.00 C ATOM 874 O GLY A 56 13.058 0.750 6.032 1.00 0.00 O ATOM 0 H GLY A 56 10.771 1.364 5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.775 1.124 2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.453 2.651 3.714 1.00 0.00 H new ATOM 878 N GLY A 57 14.714 1.378 4.731 1.00 0.00 N ATOM 879 CA GLY A 57 15.725 1.033 5.768 1.00 0.00 C ATOM 880 C GLY A 57 16.508 -0.202 5.319 1.00 0.00 C ATOM 881 O GLY A 57 16.951 -0.997 6.124 1.00 0.00 O ATOM 0 H GLY A 57 15.095 1.749 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.404 1.871 5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.233 0.839 6.721 1.00 0.00 H new ATOM 885 N ALA A 58 16.683 -0.370 4.037 1.00 0.00 N ATOM 886 CA ALA A 58 17.438 -1.553 3.533 1.00 0.00 C ATOM 887 C ALA A 58 18.920 -1.204 3.371 1.00 0.00 C ATOM 888 O ALA A 58 19.696 -1.587 4.232 1.00 0.00 O ATOM 889 CB ALA A 58 16.808 -1.874 2.176 1.00 0.00 C ATOM 890 OXT ALA A 58 19.253 -0.560 2.390 1.00 0.00 O ATOM 0 H ALA A 58 16.335 0.262 3.315 1.00 0.00 H new ATOM 0 HA ALA A 58 17.386 -2.400 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.309 -2.736 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.750 -2.099 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.915 -1.016 1.513 1.00 0.00 H new TER 896 ALA A 58