USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 250 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 26 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 49:sc= 0.0616 USER MOD Single : A 11 ASN : amide:sc= -2.02! C(o=-2!,f=-2.6!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.2 K(o=-1.2,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -110:sc= 0.429 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0195 X(o=-0.02,f=-0.12) USER MOD Single : A 30 LYS NZ :NH3+ 152:sc= -0.0152 (180deg=-0.542) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.933 -0.342 -0.834 1.00 73.42 N ATOM 2 CA GLY A 1 2.189 0.087 -1.421 1.00 31.43 C ATOM 3 C GLY A 1 3.244 -1.002 -1.392 1.00 12.42 C ATOM 4 O GLY A 1 3.604 -1.498 -0.325 1.00 1.21 O ATOM 0 H1 GLY A 1 0.245 0.437 -0.878 1.00 73.42 H new ATOM 0 H2 GLY A 1 0.565 -1.159 -1.361 1.00 73.42 H new ATOM 0 H3 GLY A 1 1.088 -0.612 0.158 1.00 73.42 H new ATOM 0 HA2 GLY A 1 2.018 0.396 -2.452 1.00 31.43 H new ATOM 0 HA3 GLY A 1 2.558 0.961 -0.884 1.00 31.43 H new ATOM 8 N ALA A 2 3.739 -1.375 -2.567 1.00 40.12 N ATOM 9 CA ALA A 2 4.759 -2.411 -2.672 1.00 72.02 C ATOM 10 C ALA A 2 5.869 -1.994 -3.631 1.00 54.13 C ATOM 11 O ALA A 2 5.715 -2.080 -4.850 1.00 51.10 O ATOM 12 CB ALA A 2 4.134 -3.723 -3.124 1.00 11.23 C ATOM 0 H ALA A 2 3.450 -0.975 -3.460 1.00 40.12 H new ATOM 0 HA ALA A 2 5.201 -2.552 -1.686 1.00 72.02 H new ATOM 0 HB1 ALA A 2 4.907 -4.488 -3.198 1.00 11.23 H new ATOM 0 HB2 ALA A 2 3.382 -4.036 -2.400 1.00 11.23 H new ATOM 0 HB3 ALA A 2 3.665 -3.586 -4.098 1.00 11.23 H new ATOM 18 N CYS A 3 6.987 -1.541 -3.074 1.00 14.01 N ATOM 19 CA CYS A 3 8.122 -1.109 -3.879 1.00 45.12 C ATOM 20 C CYS A 3 9.439 -1.537 -3.237 1.00 32.11 C ATOM 21 O CYS A 3 9.449 -2.235 -2.222 1.00 62.11 O ATOM 22 CB CYS A 3 8.100 0.410 -4.057 1.00 54.53 C ATOM 23 SG CYS A 3 7.960 1.340 -2.497 1.00 34.12 S ATOM 0 H CYS A 3 7.131 -1.464 -2.067 1.00 14.01 H new ATOM 0 HA CYS A 3 8.043 -1.584 -4.857 1.00 45.12 H new ATOM 0 HB2 CYS A 3 9.011 0.718 -4.571 1.00 54.53 H new ATOM 0 HB3 CYS A 3 7.264 0.677 -4.703 1.00 54.53 H new ATOM 28 N LEU A 4 10.547 -1.114 -3.835 1.00 22.05 N ATOM 29 CA LEU A 4 11.870 -1.453 -3.321 1.00 41.34 C ATOM 30 C LEU A 4 12.576 -0.215 -2.776 1.00 32.31 C ATOM 31 O LEU A 4 12.776 0.764 -3.493 1.00 2.22 O ATOM 32 CB LEU A 4 12.717 -2.093 -4.422 1.00 63.23 C ATOM 33 CG LEU A 4 12.147 -3.363 -5.055 1.00 51.11 C ATOM 34 CD1 LEU A 4 12.950 -3.753 -6.287 1.00 14.44 C ATOM 35 CD2 LEU A 4 12.130 -4.501 -4.045 1.00 41.01 C ATOM 0 H LEU A 4 10.556 -0.536 -4.676 1.00 22.05 H new ATOM 0 HA LEU A 4 11.745 -2.166 -2.506 1.00 41.34 H new ATOM 0 HB2 LEU A 4 12.870 -1.356 -5.210 1.00 63.23 H new ATOM 0 HB3 LEU A 4 13.698 -2.326 -4.009 1.00 63.23 H new ATOM 0 HG LEU A 4 11.121 -3.163 -5.364 1.00 51.11 H new ATOM 0 HD11 LEU A 4 12.529 -4.659 -6.724 1.00 14.44 H new ATOM 0 HD12 LEU A 4 12.910 -2.945 -7.018 1.00 14.44 H new ATOM 0 HD13 LEU A 4 13.987 -3.934 -6.003 1.00 14.44 H new ATOM 0 HD21 LEU A 4 11.721 -5.397 -4.513 1.00 41.01 H new ATOM 0 HD22 LEU A 4 13.146 -4.701 -3.705 1.00 41.01 H new ATOM 0 HD23 LEU A 4 11.510 -4.222 -3.193 1.00 41.01 H new ATOM 47 N GLY A 5 12.952 -0.268 -1.502 1.00 25.32 N ATOM 48 CA GLY A 5 13.634 0.853 -0.882 1.00 52.44 C ATOM 49 C GLY A 5 15.063 1.002 -1.365 1.00 51.02 C ATOM 50 O GLY A 5 15.520 0.241 -2.218 1.00 62.11 O ATOM 0 H GLY A 5 12.796 -1.067 -0.888 1.00 25.32 H new ATOM 0 HA2 GLY A 5 13.085 1.770 -1.094 1.00 52.44 H new ATOM 0 HA3 GLY A 5 13.631 0.722 0.200 1.00 52.44 H new ATOM 54 N PHE A 6 15.771 1.986 -0.820 1.00 54.02 N ATOM 55 CA PHE A 6 17.156 2.234 -1.202 1.00 52.05 C ATOM 56 C PHE A 6 18.057 1.087 -0.755 1.00 61.24 C ATOM 57 O PHE A 6 17.993 0.642 0.390 1.00 53.31 O ATOM 58 CB PHE A 6 17.647 3.550 -0.595 1.00 71.23 C ATOM 59 CG PHE A 6 19.064 3.887 -0.961 1.00 62.32 C ATOM 60 CD1 PHE A 6 19.359 4.465 -2.186 1.00 32.44 C ATOM 61 CD2 PHE A 6 20.102 3.626 -0.081 1.00 13.24 C ATOM 62 CE1 PHE A 6 20.662 4.775 -2.525 1.00 22.20 C ATOM 63 CE2 PHE A 6 21.407 3.935 -0.414 1.00 61.33 C ATOM 64 CZ PHE A 6 21.687 4.511 -1.638 1.00 24.32 C ATOM 0 H PHE A 6 15.408 2.625 -0.112 1.00 54.02 H new ATOM 0 HA PHE A 6 17.200 2.305 -2.289 1.00 52.05 H new ATOM 0 HB2 PHE A 6 16.993 4.358 -0.923 1.00 71.23 H new ATOM 0 HB3 PHE A 6 17.564 3.494 0.490 1.00 71.23 H new ATOM 0 HD1 PHE A 6 18.561 4.675 -2.883 1.00 32.44 H new ATOM 0 HD2 PHE A 6 19.888 3.175 0.877 1.00 13.24 H new ATOM 0 HE1 PHE A 6 20.879 5.224 -3.483 1.00 22.20 H new ATOM 0 HE2 PHE A 6 22.207 3.727 0.281 1.00 61.33 H new ATOM 0 HZ PHE A 6 22.706 4.754 -1.901 1.00 24.32 H new ATOM 74 N GLY A 7 18.898 0.611 -1.670 1.00 14.45 N ATOM 75 CA GLY A 7 19.800 -0.480 -1.352 1.00 34.14 C ATOM 76 C GLY A 7 19.189 -1.838 -1.635 1.00 61.14 C ATOM 77 O GLY A 7 19.684 -2.861 -1.162 1.00 61.32 O ATOM 0 H GLY A 7 18.970 0.962 -2.625 1.00 14.45 H new ATOM 0 HA2 GLY A 7 20.717 -0.370 -1.931 1.00 34.14 H new ATOM 0 HA3 GLY A 7 20.078 -0.422 -0.300 1.00 34.14 H new ATOM 81 N LYS A 8 18.109 -1.849 -2.409 1.00 60.42 N ATOM 82 CA LYS A 8 17.429 -3.092 -2.756 1.00 14.51 C ATOM 83 C LYS A 8 17.827 -3.558 -4.152 1.00 75.44 C ATOM 84 O LYS A 8 18.174 -2.749 -5.012 1.00 63.12 O ATOM 85 CB LYS A 8 15.912 -2.904 -2.682 1.00 54.34 C ATOM 86 CG LYS A 8 15.414 -2.509 -1.303 1.00 13.41 C ATOM 87 CD LYS A 8 15.615 -3.628 -0.296 1.00 33.44 C ATOM 88 CE LYS A 8 14.688 -3.475 0.900 1.00 35.34 C ATOM 89 NZ LYS A 8 15.378 -2.847 2.060 1.00 11.34 N ATOM 0 H LYS A 8 17.686 -1.011 -2.808 1.00 60.42 H new ATOM 0 HA LYS A 8 17.730 -3.855 -2.038 1.00 14.51 H new ATOM 0 HB2 LYS A 8 15.614 -2.139 -3.399 1.00 54.34 H new ATOM 0 HB3 LYS A 8 15.424 -3.831 -2.983 1.00 54.34 H new ATOM 0 HG2 LYS A 8 15.942 -1.616 -0.967 1.00 13.41 H new ATOM 0 HG3 LYS A 8 14.356 -2.253 -1.357 1.00 13.41 H new ATOM 0 HD2 LYS A 8 15.434 -4.589 -0.777 1.00 33.44 H new ATOM 0 HD3 LYS A 8 16.651 -3.632 0.043 1.00 33.44 H new ATOM 0 HE2 LYS A 8 13.828 -2.868 0.617 1.00 35.34 H new ATOM 0 HE3 LYS A 8 14.306 -4.454 1.191 1.00 35.34 H new ATOM 0 HZ1 LYS A 8 14.712 -2.760 2.854 1.00 11.34 H new ATOM 0 HZ2 LYS A 8 16.184 -3.439 2.346 1.00 11.34 H new ATOM 0 HZ3 LYS A 8 15.720 -1.903 1.791 1.00 11.34 H new ATOM 103 N SER A 9 17.772 -4.868 -4.372 1.00 33.34 N ATOM 104 CA SER A 9 18.129 -5.443 -5.663 1.00 53.24 C ATOM 105 C SER A 9 16.959 -5.354 -6.639 1.00 63.03 C ATOM 106 O SER A 9 15.978 -6.088 -6.519 1.00 51.01 O ATOM 107 CB SER A 9 18.558 -6.902 -5.496 1.00 10.45 C ATOM 108 OG SER A 9 17.753 -7.563 -4.535 1.00 53.20 O ATOM 0 H SER A 9 17.483 -5.551 -3.672 1.00 33.34 H new ATOM 0 HA SER A 9 18.964 -4.871 -6.069 1.00 53.24 H new ATOM 0 HB2 SER A 9 18.485 -7.418 -6.453 1.00 10.45 H new ATOM 0 HB3 SER A 9 19.603 -6.944 -5.190 1.00 10.45 H new ATOM 0 HG SER A 9 16.807 -7.393 -4.728 1.00 53.20 H new ATOM 114 N CYS A 10 17.071 -4.450 -7.606 1.00 43.43 N ATOM 115 CA CYS A 10 16.025 -4.262 -8.604 1.00 31.31 C ATOM 116 C CYS A 10 16.533 -4.617 -9.998 1.00 71.24 C ATOM 117 O CYS A 10 17.706 -4.942 -10.179 1.00 13.13 O ATOM 118 CB CYS A 10 15.525 -2.816 -8.584 1.00 20.50 C ATOM 119 SG CYS A 10 16.841 -1.572 -8.777 1.00 3.04 S ATOM 0 H CYS A 10 17.877 -3.835 -7.720 1.00 43.43 H new ATOM 0 HA CYS A 10 15.198 -4.928 -8.357 1.00 31.31 H new ATOM 0 HB2 CYS A 10 14.795 -2.684 -9.383 1.00 20.50 H new ATOM 0 HB3 CYS A 10 15.004 -2.636 -7.643 1.00 20.50 H new ATOM 124 N ASN A 11 15.641 -4.552 -10.981 1.00 72.44 N ATOM 125 CA ASN A 11 15.998 -4.867 -12.360 1.00 2.01 C ATOM 126 C ASN A 11 16.054 -3.601 -13.210 1.00 31.21 C ATOM 127 O ASN A 11 15.204 -2.716 -13.107 1.00 21.44 O ATOM 128 CB ASN A 11 14.992 -5.852 -12.958 1.00 34.25 C ATOM 129 CG ASN A 11 15.609 -6.732 -14.027 1.00 22.52 C ATOM 130 OD1 ASN A 11 16.593 -7.430 -13.780 1.00 44.13 O ATOM 131 ND2 ASN A 11 15.032 -6.704 -15.223 1.00 4.44 N ATOM 0 H ASN A 11 14.666 -4.284 -10.849 1.00 72.44 H new ATOM 0 HA ASN A 11 16.987 -5.326 -12.357 1.00 2.01 H new ATOM 0 HB2 ASN A 11 14.587 -6.480 -12.164 1.00 34.25 H new ATOM 0 HB3 ASN A 11 14.156 -5.298 -13.385 1.00 34.25 H new ATOM 0 HD21 ASN A 11 15.403 -7.276 -15.982 1.00 4.44 H new ATOM 0 HD22 ASN A 11 14.218 -6.110 -15.383 1.00 4.44 H new ATOM 138 N PRO A 12 17.078 -3.512 -14.071 1.00 40.35 N ATOM 139 CA PRO A 12 17.269 -2.359 -14.957 1.00 71.31 C ATOM 140 C PRO A 12 16.212 -2.290 -16.054 1.00 41.02 C ATOM 141 O PRO A 12 15.710 -1.214 -16.379 1.00 3.23 O ATOM 142 CB PRO A 12 18.653 -2.603 -15.563 1.00 23.10 C ATOM 143 CG PRO A 12 18.844 -4.079 -15.491 1.00 54.14 C ATOM 144 CD PRO A 12 18.128 -4.529 -14.248 1.00 1.13 C ATOM 0 HA PRO A 12 17.184 -1.414 -14.420 1.00 71.31 H new ATOM 0 HB2 PRO A 12 18.703 -2.247 -16.592 1.00 23.10 H new ATOM 0 HB3 PRO A 12 19.428 -2.076 -15.006 1.00 23.10 H new ATOM 0 HG2 PRO A 12 18.436 -4.569 -16.375 1.00 54.14 H new ATOM 0 HG3 PRO A 12 19.903 -4.334 -15.445 1.00 54.14 H new ATOM 0 HD2 PRO A 12 17.705 -5.527 -14.367 1.00 1.13 H new ATOM 0 HD3 PRO A 12 18.799 -4.567 -13.390 1.00 1.13 H new ATOM 152 N SER A 13 15.878 -3.445 -16.622 1.00 1.43 N ATOM 153 CA SER A 13 14.883 -3.514 -17.685 1.00 72.01 C ATOM 154 C SER A 13 13.487 -3.223 -17.143 1.00 11.45 C ATOM 155 O SER A 13 12.603 -2.784 -17.877 1.00 72.30 O ATOM 156 CB SER A 13 14.907 -4.893 -18.346 1.00 65.44 C ATOM 157 OG SER A 13 14.463 -4.823 -19.690 1.00 45.33 O ATOM 0 H SER A 13 16.282 -4.345 -16.363 1.00 1.43 H new ATOM 0 HA SER A 13 15.130 -2.757 -18.429 1.00 72.01 H new ATOM 0 HB2 SER A 13 15.919 -5.297 -18.315 1.00 65.44 H new ATOM 0 HB3 SER A 13 14.272 -5.579 -17.785 1.00 65.44 H new ATOM 0 HG SER A 13 14.489 -5.717 -20.090 1.00 45.33 H new ATOM 163 N ASN A 14 13.298 -3.470 -15.850 1.00 53.14 N ATOM 164 CA ASN A 14 12.010 -3.235 -15.208 1.00 34.00 C ATOM 165 C ASN A 14 12.192 -2.548 -13.858 1.00 43.43 C ATOM 166 O ASN A 14 11.852 -3.106 -12.815 1.00 3.52 O ATOM 167 CB ASN A 14 11.260 -4.556 -15.023 1.00 1.02 C ATOM 168 CG ASN A 14 9.756 -4.383 -15.099 1.00 55.33 C ATOM 169 OD1 ASN A 14 9.087 -5.018 -15.915 1.00 10.02 O ATOM 170 ND2 ASN A 14 9.216 -3.519 -14.248 1.00 14.35 N ATOM 0 H ASN A 14 14.020 -3.832 -15.227 1.00 53.14 H new ATOM 0 HA ASN A 14 11.425 -2.580 -15.853 1.00 34.00 H new ATOM 0 HB2 ASN A 14 11.581 -5.263 -15.788 1.00 1.02 H new ATOM 0 HB3 ASN A 14 11.525 -4.989 -14.058 1.00 1.02 H new ATOM 0 HD21 ASN A 14 8.209 -3.360 -14.253 1.00 14.35 H new ATOM 0 HD22 ASN A 14 9.809 -3.014 -13.589 1.00 14.35 H new ATOM 177 N ASP A 15 12.730 -1.333 -13.887 1.00 65.41 N ATOM 178 CA ASP A 15 12.957 -0.568 -12.666 1.00 70.35 C ATOM 179 C ASP A 15 11.694 -0.522 -11.812 1.00 22.11 C ATOM 180 O ASP A 15 10.674 0.027 -12.226 1.00 74.20 O ATOM 181 CB ASP A 15 13.410 0.852 -13.006 1.00 51.54 C ATOM 182 CG ASP A 15 12.379 1.610 -13.820 1.00 33.14 C ATOM 183 OD1 ASP A 15 12.168 1.247 -14.996 1.00 12.05 O ATOM 184 OD2 ASP A 15 11.783 2.566 -13.280 1.00 41.33 O ATOM 0 H ASP A 15 13.017 -0.857 -14.742 1.00 65.41 H new ATOM 0 HA ASP A 15 13.742 -1.064 -12.095 1.00 70.35 H new ATOM 0 HB2 ASP A 15 13.612 1.396 -12.084 1.00 51.54 H new ATOM 0 HB3 ASP A 15 14.347 0.808 -13.562 1.00 51.54 H new ATOM 189 N GLN A 16 11.772 -1.103 -10.619 1.00 14.22 N ATOM 190 CA GLN A 16 10.634 -1.129 -9.707 1.00 52.03 C ATOM 191 C GLN A 16 11.066 -0.779 -8.287 1.00 70.51 C ATOM 192 O GLN A 16 11.197 -1.657 -7.433 1.00 43.11 O ATOM 193 CB GLN A 16 9.970 -2.507 -9.727 1.00 14.25 C ATOM 194 CG GLN A 16 9.481 -2.927 -11.103 1.00 73.31 C ATOM 195 CD GLN A 16 7.969 -2.905 -11.218 1.00 2.44 C ATOM 196 OE1 GLN A 16 7.372 -1.866 -11.505 1.00 24.52 O ATOM 197 NE2 GLN A 16 7.341 -4.053 -10.993 1.00 51.33 N ATOM 0 H GLN A 16 12.610 -1.562 -10.262 1.00 14.22 H new ATOM 0 HA GLN A 16 9.914 -0.382 -10.042 1.00 52.03 H new ATOM 0 HB2 GLN A 16 10.680 -3.249 -9.361 1.00 14.25 H new ATOM 0 HB3 GLN A 16 9.127 -2.505 -9.036 1.00 14.25 H new ATOM 0 HG2 GLN A 16 9.908 -2.263 -11.854 1.00 73.31 H new ATOM 0 HG3 GLN A 16 9.844 -3.931 -11.322 1.00 73.31 H new ATOM 0 HE21 GLN A 16 7.876 -4.889 -10.758 1.00 51.33 H new ATOM 0 HE22 GLN A 16 6.324 -4.099 -11.055 1.00 51.33 H new ATOM 206 N CYS A 17 11.286 0.508 -8.041 1.00 23.42 N ATOM 207 CA CYS A 17 11.705 0.974 -6.724 1.00 54.14 C ATOM 208 C CYS A 17 10.647 1.886 -6.109 1.00 32.52 C ATOM 209 O CYS A 17 9.560 2.056 -6.662 1.00 32.51 O ATOM 210 CB CYS A 17 13.038 1.717 -6.824 1.00 24.03 C ATOM 211 SG CYS A 17 14.446 0.659 -7.291 1.00 32.10 S ATOM 0 H CYS A 17 11.181 1.247 -8.736 1.00 23.42 H new ATOM 0 HA CYS A 17 11.829 0.104 -6.080 1.00 54.14 H new ATOM 0 HB2 CYS A 17 12.941 2.518 -7.556 1.00 24.03 H new ATOM 0 HB3 CYS A 17 13.253 2.187 -5.864 1.00 24.03 H new ATOM 216 N CYS A 18 10.973 2.470 -4.961 1.00 31.22 N ATOM 217 CA CYS A 18 10.053 3.364 -4.269 1.00 35.23 C ATOM 218 C CYS A 18 10.182 4.791 -4.794 1.00 22.23 C ATOM 219 O CYS A 18 11.153 5.488 -4.497 1.00 34.03 O ATOM 220 CB CYS A 18 10.318 3.337 -2.762 1.00 63.22 C ATOM 221 SG CYS A 18 9.913 1.750 -1.964 1.00 52.30 S ATOM 0 H CYS A 18 11.868 2.340 -4.490 1.00 31.22 H new ATOM 0 HA CYS A 18 9.037 3.017 -4.459 1.00 35.23 H new ATOM 0 HB2 CYS A 18 11.370 3.563 -2.585 1.00 63.22 H new ATOM 0 HB3 CYS A 18 9.738 4.128 -2.288 1.00 63.22 H new ATOM 226 N LYS A 19 9.197 5.219 -5.576 1.00 3.22 N ATOM 227 CA LYS A 19 9.199 6.563 -6.142 1.00 35.11 C ATOM 228 C LYS A 19 9.029 7.614 -5.049 1.00 75.34 C ATOM 229 O LYS A 19 9.553 8.723 -5.155 1.00 34.45 O ATOM 230 CB LYS A 19 8.081 6.703 -7.178 1.00 13.33 C ATOM 231 CG LYS A 19 8.116 5.637 -8.259 1.00 42.30 C ATOM 232 CD LYS A 19 9.381 5.734 -9.096 1.00 55.13 C ATOM 233 CE LYS A 19 9.302 4.846 -10.329 1.00 2.32 C ATOM 234 NZ LYS A 19 10.653 4.508 -10.855 1.00 64.14 N ATOM 0 H LYS A 19 8.387 4.655 -5.832 1.00 3.22 H new ATOM 0 HA LYS A 19 10.160 6.724 -6.630 1.00 35.11 H new ATOM 0 HB2 LYS A 19 7.118 6.661 -6.669 1.00 13.33 H new ATOM 0 HB3 LYS A 19 8.151 7.685 -7.646 1.00 13.33 H new ATOM 0 HG2 LYS A 19 8.057 4.650 -7.800 1.00 42.30 H new ATOM 0 HG3 LYS A 19 7.243 5.742 -8.903 1.00 42.30 H new ATOM 0 HD2 LYS A 19 9.539 6.769 -9.401 1.00 55.13 H new ATOM 0 HD3 LYS A 19 10.241 5.445 -8.492 1.00 55.13 H new ATOM 0 HE2 LYS A 19 8.768 3.928 -10.082 1.00 2.32 H new ATOM 0 HE3 LYS A 19 8.726 5.351 -11.104 1.00 2.32 H new ATOM 0 HZ1 LYS A 19 10.557 3.902 -11.695 1.00 64.14 H new ATOM 0 HZ2 LYS A 19 11.153 5.382 -11.114 1.00 64.14 H new ATOM 0 HZ3 LYS A 19 11.194 4.003 -10.124 1.00 64.14 H new ATOM 248 N SER A 20 8.294 7.257 -4.001 1.00 10.04 N ATOM 249 CA SER A 20 8.053 8.170 -2.890 1.00 4.43 C ATOM 250 C SER A 20 9.369 8.633 -2.272 1.00 44.42 C ATOM 251 O SER A 20 9.502 9.784 -1.856 1.00 53.31 O ATOM 252 CB SER A 20 7.187 7.495 -1.825 1.00 21.12 C ATOM 253 OG SER A 20 7.734 6.246 -1.439 1.00 64.12 O ATOM 0 H SER A 20 7.855 6.342 -3.898 1.00 10.04 H new ATOM 0 HA SER A 20 7.526 9.042 -3.277 1.00 4.43 H new ATOM 0 HB2 SER A 20 7.105 8.144 -0.953 1.00 21.12 H new ATOM 0 HB3 SER A 20 6.178 7.350 -2.211 1.00 21.12 H new ATOM 0 HG SER A 20 7.163 5.836 -0.756 1.00 64.12 H new ATOM 259 N SER A 21 10.341 7.728 -2.216 1.00 74.44 N ATOM 260 CA SER A 21 11.646 8.041 -1.647 1.00 31.55 C ATOM 261 C SER A 21 12.628 8.458 -2.736 1.00 45.24 C ATOM 262 O SER A 21 13.843 8.425 -2.539 1.00 30.14 O ATOM 263 CB SER A 21 12.196 6.834 -0.884 1.00 35.42 C ATOM 264 OG SER A 21 11.339 6.473 0.186 1.00 2.53 O ATOM 0 H SER A 21 10.249 6.772 -2.558 1.00 74.44 H new ATOM 0 HA SER A 21 11.522 8.874 -0.955 1.00 31.55 H new ATOM 0 HB2 SER A 21 12.308 5.990 -1.565 1.00 35.42 H new ATOM 0 HB3 SER A 21 13.188 7.066 -0.497 1.00 35.42 H new ATOM 0 HG SER A 21 11.712 5.698 0.657 1.00 2.53 H new ATOM 270 N SER A 22 12.093 8.851 -3.888 1.00 3.32 N ATOM 271 CA SER A 22 12.922 9.272 -5.012 1.00 13.24 C ATOM 272 C SER A 22 13.977 8.218 -5.333 1.00 41.32 C ATOM 273 O SER A 22 15.177 8.491 -5.289 1.00 25.03 O ATOM 274 CB SER A 22 13.598 10.609 -4.702 1.00 13.22 C ATOM 275 OG SER A 22 13.843 11.344 -5.888 1.00 71.25 O ATOM 0 H SER A 22 11.090 8.887 -4.067 1.00 3.32 H new ATOM 0 HA SER A 22 12.277 9.393 -5.882 1.00 13.24 H new ATOM 0 HB2 SER A 22 12.966 11.193 -4.033 1.00 13.22 H new ATOM 0 HB3 SER A 22 14.538 10.432 -4.179 1.00 13.22 H new ATOM 0 HG SER A 22 14.807 11.369 -6.064 1.00 71.25 H new ATOM 281 N LEU A 23 13.521 7.013 -5.657 1.00 41.41 N ATOM 282 CA LEU A 23 14.425 5.917 -5.987 1.00 33.43 C ATOM 283 C LEU A 23 14.284 5.517 -7.452 1.00 32.41 C ATOM 284 O LEU A 23 13.291 5.842 -8.102 1.00 33.04 O ATOM 285 CB LEU A 23 14.144 4.711 -5.088 1.00 2.02 C ATOM 286 CG LEU A 23 14.453 4.895 -3.602 1.00 5.42 C ATOM 287 CD1 LEU A 23 14.151 3.619 -2.831 1.00 45.54 C ATOM 288 CD2 LEU A 23 15.905 5.308 -3.406 1.00 62.33 C ATOM 0 H LEU A 23 12.531 6.770 -5.698 1.00 41.41 H new ATOM 0 HA LEU A 23 15.447 6.258 -5.820 1.00 33.43 H new ATOM 0 HB2 LEU A 23 13.092 4.445 -5.190 1.00 2.02 H new ATOM 0 HB3 LEU A 23 14.724 3.865 -5.457 1.00 2.02 H new ATOM 0 HG LEU A 23 13.815 5.689 -3.214 1.00 5.42 H new ATOM 0 HD11 LEU A 23 14.377 3.770 -1.775 1.00 45.54 H new ATOM 0 HD12 LEU A 23 13.097 3.367 -2.944 1.00 45.54 H new ATOM 0 HD13 LEU A 23 14.762 2.805 -3.221 1.00 45.54 H new ATOM 0 HD21 LEU A 23 16.107 5.434 -2.342 1.00 62.33 H new ATOM 0 HD22 LEU A 23 16.560 4.537 -3.811 1.00 62.33 H new ATOM 0 HD23 LEU A 23 16.089 6.249 -3.925 1.00 62.33 H new ATOM 300 N ALA A 24 15.284 4.807 -7.965 1.00 13.20 N ATOM 301 CA ALA A 24 15.269 4.359 -9.352 1.00 22.11 C ATOM 302 C ALA A 24 16.309 3.269 -9.587 1.00 61.42 C ATOM 303 O ALA A 24 17.338 3.221 -8.912 1.00 14.12 O ATOM 304 CB ALA A 24 15.511 5.533 -10.289 1.00 5.14 C ATOM 0 H ALA A 24 16.114 4.530 -7.441 1.00 13.20 H new ATOM 0 HA ALA A 24 14.286 3.938 -9.562 1.00 22.11 H new ATOM 0 HB1 ALA A 24 15.497 5.183 -11.321 1.00 5.14 H new ATOM 0 HB2 ALA A 24 14.728 6.279 -10.148 1.00 5.14 H new ATOM 0 HB3 ALA A 24 16.481 5.979 -10.070 1.00 5.14 H new ATOM 310 N CYS A 25 16.035 2.393 -10.549 1.00 13.43 N ATOM 311 CA CYS A 25 16.945 1.302 -10.873 1.00 5.20 C ATOM 312 C CYS A 25 17.851 1.679 -12.042 1.00 22.11 C ATOM 313 O CYS A 25 17.380 1.923 -13.153 1.00 33.44 O ATOM 314 CB CYS A 25 16.157 0.036 -11.212 1.00 21.42 C ATOM 315 SG CYS A 25 17.054 -1.512 -10.868 1.00 73.53 S ATOM 0 H CYS A 25 15.189 2.418 -11.118 1.00 13.43 H new ATOM 0 HA CYS A 25 17.568 1.110 -10.000 1.00 5.20 H new ATOM 0 HB2 CYS A 25 15.226 0.038 -10.645 1.00 21.42 H new ATOM 0 HB3 CYS A 25 15.887 0.060 -12.268 1.00 21.42 H new ATOM 320 N SER A 26 19.154 1.724 -11.783 1.00 42.01 N ATOM 321 CA SER A 26 20.126 2.074 -12.812 1.00 42.22 C ATOM 322 C SER A 26 20.785 0.823 -13.386 1.00 13.14 C ATOM 323 O SER A 26 21.077 -0.128 -12.660 1.00 73.10 O ATOM 324 CB SER A 26 21.193 3.009 -12.239 1.00 22.32 C ATOM 325 OG SER A 26 21.449 4.091 -13.117 1.00 71.35 O ATOM 0 H SER A 26 19.561 1.522 -10.870 1.00 42.01 H new ATOM 0 HA SER A 26 19.598 2.586 -13.616 1.00 42.22 H new ATOM 0 HB2 SER A 26 20.865 3.391 -11.272 1.00 22.32 H new ATOM 0 HB3 SER A 26 22.114 2.452 -12.066 1.00 22.32 H new ATOM 0 HG SER A 26 22.379 4.382 -13.015 1.00 71.35 H new ATOM 331 N THR A 27 21.016 0.831 -14.695 1.00 4.12 N ATOM 332 CA THR A 27 21.639 -0.302 -15.368 1.00 10.14 C ATOM 333 C THR A 27 23.146 -0.318 -15.137 1.00 72.12 C ATOM 334 O THR A 27 23.851 -1.195 -15.635 1.00 63.54 O ATOM 335 CB THR A 27 21.363 -0.276 -16.883 1.00 21.32 C ATOM 336 OG1 THR A 27 20.050 0.237 -17.133 1.00 72.31 O ATOM 337 CG2 THR A 27 21.491 -1.670 -17.480 1.00 11.32 C ATOM 0 H THR A 27 20.781 1.610 -15.310 1.00 4.12 H new ATOM 0 HA THR A 27 21.200 -1.204 -14.942 1.00 10.14 H new ATOM 0 HB THR A 27 22.101 0.373 -17.354 1.00 21.32 H new ATOM 0 HG1 THR A 27 19.883 0.252 -18.099 1.00 72.31 H new ATOM 0 HG21 THR A 27 21.292 -1.627 -18.551 1.00 11.32 H new ATOM 0 HG22 THR A 27 22.501 -2.046 -17.314 1.00 11.32 H new ATOM 0 HG23 THR A 27 20.772 -2.337 -17.004 1.00 11.32 H new ATOM 345 N LYS A 28 23.634 0.657 -14.378 1.00 40.34 N ATOM 346 CA LYS A 28 25.058 0.755 -14.079 1.00 73.14 C ATOM 347 C LYS A 28 25.393 0.025 -12.782 1.00 55.53 C ATOM 348 O LYS A 28 26.321 -0.782 -12.734 1.00 41.12 O ATOM 349 CB LYS A 28 25.478 2.223 -13.975 1.00 24.42 C ATOM 350 CG LYS A 28 26.237 2.726 -15.191 1.00 15.22 C ATOM 351 CD LYS A 28 26.037 4.219 -15.393 1.00 64.13 C ATOM 352 CE LYS A 28 26.927 5.031 -14.465 1.00 22.14 C ATOM 353 NZ LYS A 28 26.656 6.491 -14.573 1.00 12.11 N ATOM 0 H LYS A 28 23.064 1.391 -13.958 1.00 40.34 H new ATOM 0 HA LYS A 28 25.609 0.283 -14.893 1.00 73.14 H new ATOM 0 HB2 LYS A 28 24.589 2.837 -13.832 1.00 24.42 H new ATOM 0 HB3 LYS A 28 26.100 2.352 -13.090 1.00 24.42 H new ATOM 0 HG2 LYS A 28 27.299 2.513 -15.072 1.00 15.22 H new ATOM 0 HG3 LYS A 28 25.902 2.189 -16.078 1.00 15.22 H new ATOM 0 HD2 LYS A 28 26.256 4.480 -16.429 1.00 64.13 H new ATOM 0 HD3 LYS A 28 24.993 4.475 -15.213 1.00 64.13 H new ATOM 0 HE2 LYS A 28 26.769 4.708 -13.436 1.00 22.14 H new ATOM 0 HE3 LYS A 28 27.973 4.837 -14.703 1.00 22.14 H new ATOM 0 HZ1 LYS A 28 27.283 7.009 -13.925 1.00 12.11 H new ATOM 0 HZ2 LYS A 28 26.831 6.805 -15.549 1.00 12.11 H new ATOM 0 HZ3 LYS A 28 25.665 6.680 -14.321 1.00 12.11 H new ATOM 367 N HIS A 29 24.630 0.314 -11.733 1.00 33.25 N ATOM 368 CA HIS A 29 24.845 -0.317 -10.435 1.00 54.10 C ATOM 369 C HIS A 29 23.801 -1.400 -10.178 1.00 1.22 C ATOM 370 O HIS A 29 24.003 -2.288 -9.349 1.00 43.41 O ATOM 371 CB HIS A 29 24.796 0.730 -9.321 1.00 72.43 C ATOM 372 CG HIS A 29 25.956 1.676 -9.338 1.00 1.51 C ATOM 373 ND1 HIS A 29 27.232 1.297 -9.698 1.00 51.35 N ATOM 374 CD2 HIS A 29 26.028 2.994 -9.037 1.00 52.32 C ATOM 375 CE1 HIS A 29 28.038 2.340 -9.617 1.00 44.41 C ATOM 376 NE2 HIS A 29 27.332 3.383 -9.218 1.00 63.04 N ATOM 0 H HIS A 29 23.858 0.980 -11.756 1.00 33.25 H new ATOM 0 HA HIS A 29 25.831 -0.782 -10.443 1.00 54.10 H new ATOM 0 HB2 HIS A 29 23.871 1.300 -9.410 1.00 72.43 H new ATOM 0 HB3 HIS A 29 24.766 0.222 -8.357 1.00 72.43 H new ATOM 0 HD2 HIS A 29 25.211 3.623 -8.714 1.00 52.32 H new ATOM 0 HE1 HIS A 29 29.095 2.340 -9.839 1.00 44.41 H new ATOM 0 HE2 HIS A 29 27.696 4.324 -9.069 1.00 63.04 H new ATOM 384 N LYS A 30 22.684 -1.320 -10.893 1.00 21.01 N ATOM 385 CA LYS A 30 21.608 -2.293 -10.743 1.00 42.34 C ATOM 386 C LYS A 30 21.073 -2.296 -9.315 1.00 74.32 C ATOM 387 O LYS A 30 21.160 -3.303 -8.612 1.00 60.13 O ATOM 388 CB LYS A 30 22.102 -3.692 -11.118 1.00 3.04 C ATOM 389 CG LYS A 30 22.002 -3.995 -12.602 1.00 64.45 C ATOM 390 CD LYS A 30 21.839 -5.484 -12.858 1.00 23.44 C ATOM 391 CE LYS A 30 23.167 -6.218 -12.744 1.00 72.12 C ATOM 392 NZ LYS A 30 23.478 -6.588 -11.336 1.00 13.25 N ATOM 0 H LYS A 30 22.500 -0.591 -11.582 1.00 21.01 H new ATOM 0 HA LYS A 30 20.798 -2.009 -11.415 1.00 42.34 H new ATOM 0 HB2 LYS A 30 23.140 -3.798 -10.803 1.00 3.04 H new ATOM 0 HB3 LYS A 30 21.524 -4.432 -10.565 1.00 3.04 H new ATOM 0 HG2 LYS A 30 21.155 -3.457 -13.028 1.00 64.45 H new ATOM 0 HG3 LYS A 30 22.897 -3.634 -13.109 1.00 64.45 H new ATOM 0 HD2 LYS A 30 21.129 -5.901 -12.144 1.00 23.44 H new ATOM 0 HD3 LYS A 30 21.420 -5.640 -13.852 1.00 23.44 H new ATOM 0 HE2 LYS A 30 23.138 -7.118 -13.358 1.00 72.12 H new ATOM 0 HE3 LYS A 30 23.965 -5.589 -13.139 1.00 72.12 H new ATOM 0 HZ1 LYS A 30 24.075 -7.440 -11.325 1.00 13.25 H new ATOM 0 HZ2 LYS A 30 23.983 -5.805 -10.875 1.00 13.25 H new ATOM 0 HZ3 LYS A 30 22.593 -6.779 -10.824 1.00 13.25 H new ATOM 406 N TRP A 31 20.518 -1.166 -8.894 1.00 13.22 N ATOM 407 CA TRP A 31 19.966 -1.040 -7.549 1.00 44.13 C ATOM 408 C TRP A 31 19.233 0.286 -7.384 1.00 15.22 C ATOM 409 O TRP A 31 19.500 1.249 -8.103 1.00 41.31 O ATOM 410 CB TRP A 31 21.080 -1.155 -6.507 1.00 14.43 C ATOM 411 CG TRP A 31 21.908 0.088 -6.383 1.00 42.24 C ATOM 412 CD1 TRP A 31 22.294 0.920 -7.396 1.00 14.03 C ATOM 413 CD2 TRP A 31 22.455 0.638 -5.180 1.00 33.14 C ATOM 414 NE1 TRP A 31 23.047 1.954 -6.894 1.00 31.24 N ATOM 415 CE2 TRP A 31 23.160 1.804 -5.537 1.00 14.13 C ATOM 416 CE3 TRP A 31 22.416 0.260 -3.835 1.00 34.21 C ATOM 417 CZ2 TRP A 31 23.819 2.592 -4.597 1.00 62.21 C ATOM 418 CZ3 TRP A 31 23.071 1.043 -2.904 1.00 21.54 C ATOM 419 CH2 TRP A 31 23.765 2.198 -3.288 1.00 34.03 C ATOM 0 H TRP A 31 20.438 -0.324 -9.464 1.00 13.22 H new ATOM 0 HA TRP A 31 19.252 -1.849 -7.398 1.00 44.13 H new ATOM 0 HB2 TRP A 31 20.639 -1.387 -5.538 1.00 14.43 H new ATOM 0 HB3 TRP A 31 21.729 -1.990 -6.770 1.00 14.43 H new ATOM 0 HD1 TRP A 31 22.044 0.785 -8.438 1.00 14.03 H new ATOM 0 HE1 TRP A 31 23.456 2.711 -7.443 1.00 31.24 H new ATOM 0 HE3 TRP A 31 21.883 -0.628 -3.529 1.00 34.21 H new ATOM 0 HZ2 TRP A 31 24.354 3.483 -4.891 1.00 62.21 H new ATOM 0 HZ3 TRP A 31 23.048 0.760 -1.862 1.00 21.54 H new ATOM 0 HH2 TRP A 31 24.267 2.789 -2.536 1.00 34.03 H new ATOM 430 N CYS A 32 18.306 0.330 -6.432 1.00 41.22 N ATOM 431 CA CYS A 32 17.533 1.539 -6.172 1.00 60.51 C ATOM 432 C CYS A 32 18.436 2.668 -5.684 1.00 21.51 C ATOM 433 O CYS A 32 18.717 2.781 -4.490 1.00 52.55 O ATOM 434 CB CYS A 32 16.443 1.258 -5.136 1.00 13.40 C ATOM 435 SG CYS A 32 15.278 -0.057 -5.619 1.00 2.40 S ATOM 0 H CYS A 32 18.072 -0.458 -5.828 1.00 41.22 H new ATOM 0 HA CYS A 32 17.066 1.850 -7.106 1.00 60.51 H new ATOM 0 HB2 CYS A 32 16.915 0.982 -4.193 1.00 13.40 H new ATOM 0 HB3 CYS A 32 15.883 2.176 -4.955 1.00 13.40 H new ATOM 440 N LYS A 33 18.888 3.501 -6.615 1.00 23.40 N ATOM 441 CA LYS A 33 19.758 4.622 -6.282 1.00 2.25 C ATOM 442 C LYS A 33 18.966 5.924 -6.212 1.00 73.35 C ATOM 443 O LYS A 33 18.049 6.146 -7.004 1.00 3.40 O ATOM 444 CB LYS A 33 20.879 4.750 -7.315 1.00 64.44 C ATOM 445 CG LYS A 33 20.384 4.761 -8.751 1.00 42.32 C ATOM 446 CD LYS A 33 21.234 5.667 -9.627 1.00 12.23 C ATOM 447 CE LYS A 33 22.664 5.160 -9.731 1.00 1.24 C ATOM 448 NZ LYS A 33 23.450 5.922 -10.740 1.00 65.42 N ATOM 0 H LYS A 33 18.666 3.421 -7.607 1.00 23.40 H new ATOM 0 HA LYS A 33 20.196 4.430 -5.302 1.00 2.25 H new ATOM 0 HB2 LYS A 33 21.435 5.668 -7.124 1.00 64.44 H new ATOM 0 HB3 LYS A 33 21.577 3.922 -7.186 1.00 64.44 H new ATOM 0 HG2 LYS A 33 20.401 3.747 -9.150 1.00 42.32 H new ATOM 0 HG3 LYS A 33 19.347 5.097 -8.777 1.00 42.32 H new ATOM 0 HD2 LYS A 33 20.795 5.728 -10.623 1.00 12.23 H new ATOM 0 HD3 LYS A 33 21.234 6.677 -9.216 1.00 12.23 H new ATOM 0 HE2 LYS A 33 23.149 5.239 -8.758 1.00 1.24 H new ATOM 0 HE3 LYS A 33 22.656 4.103 -9.999 1.00 1.24 H new ATOM 0 HZ1 LYS A 33 24.419 5.546 -10.781 1.00 65.42 H new ATOM 0 HZ2 LYS A 33 23.002 5.826 -11.674 1.00 65.42 H new ATOM 0 HZ3 LYS A 33 23.479 6.926 -10.471 1.00 65.42 H new ATOM 462 N TYR A 34 19.325 6.780 -5.263 1.00 2.01 N ATOM 463 CA TYR A 34 18.647 8.059 -5.090 1.00 51.14 C ATOM 464 C TYR A 34 18.738 8.900 -6.360 1.00 70.33 C ATOM 465 O TYR A 34 19.829 9.177 -6.857 1.00 23.15 O ATOM 466 CB TYR A 34 19.251 8.826 -3.913 1.00 44.32 C ATOM 467 CG TYR A 34 18.730 8.378 -2.567 1.00 10.14 C ATOM 468 CD1 TYR A 34 17.369 8.391 -2.287 1.00 61.20 C ATOM 469 CD2 TYR A 34 19.599 7.941 -1.574 1.00 74.10 C ATOM 470 CE1 TYR A 34 16.889 7.983 -1.058 1.00 14.02 C ATOM 471 CE2 TYR A 34 19.127 7.530 -0.342 1.00 72.23 C ATOM 472 CZ TYR A 34 17.771 7.553 -0.089 1.00 2.21 C ATOM 473 OH TYR A 34 17.296 7.145 1.136 1.00 24.24 O ATOM 0 H TYR A 34 20.082 6.612 -4.601 1.00 2.01 H new ATOM 0 HA TYR A 34 17.596 7.858 -4.883 1.00 51.14 H new ATOM 0 HB2 TYR A 34 20.334 8.708 -3.931 1.00 44.32 H new ATOM 0 HB3 TYR A 34 19.044 9.889 -4.038 1.00 44.32 H new ATOM 0 HD1 TYR A 34 16.675 8.726 -3.043 1.00 61.20 H new ATOM 0 HD2 TYR A 34 20.661 7.922 -1.769 1.00 74.10 H new ATOM 0 HE1 TYR A 34 15.828 8.001 -0.857 1.00 14.02 H new ATOM 0 HE2 TYR A 34 19.816 7.193 0.418 1.00 72.23 H new ATOM 0 HH TYR A 34 18.047 6.872 1.704 1.00 24.24 H new ATOM 483 N GLU A 35 17.582 9.302 -6.880 1.00 4.20 N ATOM 484 CA GLU A 35 17.531 10.111 -8.092 1.00 43.12 C ATOM 485 C GLU A 35 17.322 11.585 -7.755 1.00 24.54 C ATOM 486 O GLU A 35 16.221 12.000 -7.393 1.00 54.45 O ATOM 487 CB GLU A 35 16.409 9.623 -9.011 1.00 21.03 C ATOM 488 CG GLU A 35 16.857 8.573 -10.013 1.00 73.33 C ATOM 489 CD GLU A 35 15.928 8.473 -11.208 1.00 12.13 C ATOM 490 OE1 GLU A 35 14.698 8.562 -11.011 1.00 33.32 O ATOM 491 OE2 GLU A 35 16.430 8.306 -12.339 1.00 3.54 O ATOM 0 H GLU A 35 16.670 9.081 -6.481 1.00 4.20 H new ATOM 0 HA GLU A 35 18.485 10.006 -8.608 1.00 43.12 H new ATOM 0 HB2 GLU A 35 15.605 9.212 -8.401 1.00 21.03 H new ATOM 0 HB3 GLU A 35 15.996 10.475 -9.551 1.00 21.03 H new ATOM 0 HG2 GLU A 35 17.863 8.812 -10.358 1.00 73.33 H new ATOM 0 HG3 GLU A 35 16.912 7.604 -9.518 1.00 73.33 H new ATOM 498 N LEU A 36 18.388 12.369 -7.874 1.00 14.30 N ATOM 499 CA LEU A 36 18.323 13.797 -7.581 1.00 73.03 C ATOM 500 C LEU A 36 17.942 14.591 -8.826 1.00 52.45 C ATOM 501 O LEU A 36 16.933 15.296 -8.841 1.00 73.01 O ATOM 502 CB LEU A 36 19.667 14.288 -7.040 1.00 55.33 C ATOM 503 CG LEU A 36 19.958 13.966 -5.574 1.00 65.55 C ATOM 504 CD1 LEU A 36 20.583 12.585 -5.446 1.00 75.41 C ATOM 505 CD2 LEU A 36 20.869 15.023 -4.967 1.00 34.24 C ATOM 0 H LEU A 36 19.307 12.041 -8.171 1.00 14.30 H new ATOM 0 HA LEU A 36 17.555 13.953 -6.824 1.00 73.03 H new ATOM 0 HB2 LEU A 36 20.461 13.857 -7.650 1.00 55.33 H new ATOM 0 HB3 LEU A 36 19.715 15.369 -7.170 1.00 55.33 H new ATOM 0 HG LEU A 36 19.015 13.969 -5.027 1.00 65.55 H new ATOM 0 HD11 LEU A 36 20.784 12.372 -4.396 1.00 75.41 H new ATOM 0 HD12 LEU A 36 19.897 11.837 -5.843 1.00 75.41 H new ATOM 0 HD13 LEU A 36 21.517 12.555 -6.007 1.00 75.41 H new ATOM 0 HD21 LEU A 36 21.066 14.778 -3.923 1.00 34.24 H new ATOM 0 HD22 LEU A 36 21.810 15.051 -5.517 1.00 34.24 H new ATOM 0 HD23 LEU A 36 20.385 15.998 -5.026 1.00 34.24 H new TER 517 LEU A 36