USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 273 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 ILE N :NH3+ -109:sc= -0.179 (180deg=-0.303) USER MOD Single : A 2 ASN : amide:sc= -0.0805 X(o=-0.081,f=-0.43) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 49:sc= 0.256 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 167:sc= -2.33 (180deg=-2.56) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.24) USER MOD Single : A 28 LYS NZ :NH3+ 159:sc= -0.127 (180deg=-0.625) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0145 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 1.415 0.333 -0.567 1.00 64.41 N ATOM 2 CA ILE A 1 2.178 0.427 -1.806 1.00 11.23 C ATOM 3 C ILE A 1 3.619 -0.027 -1.600 1.00 40.02 C ATOM 4 O ILE A 1 4.184 0.136 -0.520 1.00 12.44 O ATOM 5 CB ILE A 1 2.178 1.865 -2.358 1.00 64.11 C ATOM 6 CG1 ILE A 1 2.657 2.846 -1.286 1.00 14.20 C ATOM 7 CG2 ILE A 1 0.789 2.244 -2.849 1.00 43.12 C ATOM 8 CD1 ILE A 1 3.295 4.096 -1.852 1.00 33.42 C ATOM 0 H1 ILE A 1 0.732 -0.448 -0.638 1.00 64.41 H new ATOM 0 H2 ILE A 1 2.063 0.155 0.227 1.00 64.41 H new ATOM 0 H3 ILE A 1 0.905 1.225 -0.405 1.00 64.41 H new ATOM 0 HA ILE A 1 1.693 -0.231 -2.527 1.00 11.23 H new ATOM 0 HB ILE A 1 2.866 1.915 -3.202 1.00 64.11 H new ATOM 0 HG12 ILE A 1 1.810 3.131 -0.661 1.00 14.20 H new ATOM 0 HG13 ILE A 1 3.375 2.342 -0.639 1.00 14.20 H new ATOM 0 HG21 ILE A 1 0.805 3.263 -3.236 1.00 43.12 H new ATOM 0 HG22 ILE A 1 0.484 1.560 -3.641 1.00 43.12 H new ATOM 0 HG23 ILE A 1 0.081 2.181 -2.022 1.00 43.12 H new ATOM 0 HD11 ILE A 1 3.610 4.745 -1.035 1.00 33.42 H new ATOM 0 HD12 ILE A 1 4.162 3.822 -2.453 1.00 33.42 H new ATOM 0 HD13 ILE A 1 2.573 4.623 -2.476 1.00 33.42 H new ATOM 20 N ASN A 2 4.209 -0.597 -2.646 1.00 50.31 N ATOM 21 CA ASN A 2 5.586 -1.074 -2.581 1.00 53.30 C ATOM 22 C ASN A 2 6.566 0.095 -2.562 1.00 10.25 C ATOM 23 O ASN A 2 6.810 0.732 -3.586 1.00 62.15 O ATOM 24 CB ASN A 2 5.888 -1.987 -3.771 1.00 34.35 C ATOM 25 CG ASN A 2 4.770 -2.976 -4.038 1.00 73.43 C ATOM 26 OD1 ASN A 2 4.091 -3.428 -3.116 1.00 2.04 O ATOM 27 ND2 ASN A 2 4.573 -3.318 -5.306 1.00 42.04 N ATOM 0 H ASN A 2 3.755 -0.740 -3.548 1.00 50.31 H new ATOM 0 HA ASN A 2 5.705 -1.640 -1.657 1.00 53.30 H new ATOM 0 HB2 ASN A 2 6.051 -1.378 -4.660 1.00 34.35 H new ATOM 0 HB3 ASN A 2 6.814 -2.531 -3.583 1.00 34.35 H new ATOM 0 HD21 ASN A 2 3.835 -3.980 -5.547 1.00 42.04 H new ATOM 0 HD22 ASN A 2 5.159 -2.919 -6.039 1.00 42.04 H new ATOM 34 N VAL A 3 7.126 0.372 -1.388 1.00 34.41 N ATOM 35 CA VAL A 3 8.081 1.462 -1.234 1.00 52.44 C ATOM 36 C VAL A 3 9.381 0.970 -0.609 1.00 0.44 C ATOM 37 O VAL A 3 9.375 0.090 0.252 1.00 31.10 O ATOM 38 CB VAL A 3 7.503 2.596 -0.367 1.00 2.33 C ATOM 39 CG1 VAL A 3 8.524 3.712 -0.197 1.00 35.54 C ATOM 40 CG2 VAL A 3 6.215 3.129 -0.976 1.00 1.33 C ATOM 0 H VAL A 3 6.934 -0.144 -0.530 1.00 34.41 H new ATOM 0 HA VAL A 3 8.286 1.847 -2.233 1.00 52.44 H new ATOM 0 HB VAL A 3 7.272 2.194 0.619 1.00 2.33 H new ATOM 0 HG11 VAL A 3 8.098 4.504 0.418 1.00 35.54 H new ATOM 0 HG12 VAL A 3 9.417 3.317 0.287 1.00 35.54 H new ATOM 0 HG13 VAL A 3 8.789 4.115 -1.175 1.00 35.54 H new ATOM 0 HG21 VAL A 3 5.821 3.930 -0.350 1.00 1.33 H new ATOM 0 HG22 VAL A 3 6.418 3.516 -1.975 1.00 1.33 H new ATOM 0 HG23 VAL A 3 5.483 2.324 -1.040 1.00 1.33 H new ATOM 50 N LYS A 4 10.496 1.545 -1.046 1.00 63.02 N ATOM 51 CA LYS A 4 11.806 1.167 -0.529 1.00 0.35 C ATOM 52 C LYS A 4 11.921 1.499 0.956 1.00 52.22 C ATOM 53 O LYS A 4 11.013 2.088 1.543 1.00 54.43 O ATOM 54 CB LYS A 4 12.911 1.883 -1.309 1.00 22.41 C ATOM 55 CG LYS A 4 12.787 3.396 -1.290 1.00 2.30 C ATOM 56 CD LYS A 4 12.635 3.961 -2.692 1.00 62.15 C ATOM 57 CE LYS A 4 13.988 4.221 -3.338 1.00 55.30 C ATOM 58 NZ LYS A 4 14.391 3.113 -4.248 1.00 14.24 N ATOM 0 H LYS A 4 10.519 2.275 -1.758 1.00 63.02 H new ATOM 0 HA LYS A 4 11.921 0.090 -0.653 1.00 0.35 H new ATOM 0 HB2 LYS A 4 13.878 1.601 -0.893 1.00 22.41 H new ATOM 0 HB3 LYS A 4 12.896 1.539 -2.343 1.00 22.41 H new ATOM 0 HG2 LYS A 4 11.927 3.684 -0.686 1.00 2.30 H new ATOM 0 HG3 LYS A 4 13.668 3.828 -0.816 1.00 2.30 H new ATOM 0 HD2 LYS A 4 12.065 3.264 -3.306 1.00 62.15 H new ATOM 0 HD3 LYS A 4 12.065 4.889 -2.652 1.00 62.15 H new ATOM 0 HE2 LYS A 4 13.949 5.155 -3.898 1.00 55.30 H new ATOM 0 HE3 LYS A 4 14.743 4.346 -2.562 1.00 55.30 H new ATOM 0 HZ1 LYS A 4 15.318 3.328 -4.668 1.00 14.24 H new ATOM 0 HZ2 LYS A 4 14.453 2.226 -3.709 1.00 14.24 H new ATOM 0 HZ3 LYS A 4 13.684 3.010 -5.004 1.00 14.24 H new ATOM 72 N CYS A 5 13.043 1.119 1.557 1.00 31.14 N ATOM 73 CA CYS A 5 13.278 1.377 2.973 1.00 35.30 C ATOM 74 C CYS A 5 14.536 2.217 3.172 1.00 72.14 C ATOM 75 O CYS A 5 15.511 2.077 2.434 1.00 62.40 O ATOM 76 CB CYS A 5 13.405 0.058 3.739 1.00 41.33 C ATOM 77 SG CYS A 5 12.749 0.118 5.437 1.00 1.41 S ATOM 0 H CYS A 5 13.805 0.631 1.085 1.00 31.14 H new ATOM 0 HA CYS A 5 12.426 1.934 3.361 1.00 35.30 H new ATOM 0 HB2 CYS A 5 12.882 -0.722 3.186 1.00 41.33 H new ATOM 0 HB3 CYS A 5 14.456 -0.228 3.777 1.00 41.33 H new ATOM 82 N SER A 6 14.506 3.090 4.173 1.00 33.15 N ATOM 83 CA SER A 6 15.642 3.955 4.468 1.00 51.45 C ATOM 84 C SER A 6 15.348 4.848 5.670 1.00 62.23 C ATOM 85 O SER A 6 14.193 5.021 6.062 1.00 44.13 O ATOM 86 CB SER A 6 15.983 4.817 3.250 1.00 74.31 C ATOM 87 OG SER A 6 14.808 5.301 2.623 1.00 73.44 O ATOM 0 H SER A 6 13.707 3.217 4.794 1.00 33.15 H new ATOM 0 HA SER A 6 16.496 3.322 4.708 1.00 51.45 H new ATOM 0 HB2 SER A 6 16.607 5.656 3.558 1.00 74.31 H new ATOM 0 HB3 SER A 6 16.564 4.232 2.538 1.00 74.31 H new ATOM 0 HG SER A 6 14.216 5.695 3.297 1.00 73.44 H new ATOM 93 N LEU A 7 16.401 5.412 6.251 1.00 61.22 N ATOM 94 CA LEU A 7 16.258 6.287 7.409 1.00 2.20 C ATOM 95 C LEU A 7 15.289 7.427 7.114 1.00 50.45 C ATOM 96 O LEU A 7 15.024 7.766 5.960 1.00 54.10 O ATOM 97 CB LEU A 7 17.620 6.853 7.817 1.00 73.23 C ATOM 98 CG LEU A 7 18.483 5.952 8.701 1.00 12.54 C ATOM 99 CD1 LEU A 7 19.866 6.557 8.890 1.00 35.11 C ATOM 100 CD2 LEU A 7 17.810 5.724 10.047 1.00 3.32 C ATOM 0 H LEU A 7 17.363 5.279 5.939 1.00 61.22 H new ATOM 0 HA LEU A 7 15.855 5.696 8.232 1.00 2.20 H new ATOM 0 HB2 LEU A 7 18.181 7.085 6.912 1.00 73.23 H new ATOM 0 HB3 LEU A 7 17.458 7.795 8.341 1.00 73.23 H new ATOM 0 HG LEU A 7 18.595 4.988 8.205 1.00 12.54 H new ATOM 0 HD11 LEU A 7 20.466 5.902 9.522 1.00 35.11 H new ATOM 0 HD12 LEU A 7 20.350 6.669 7.920 1.00 35.11 H new ATOM 0 HD13 LEU A 7 19.774 7.534 9.364 1.00 35.11 H new ATOM 0 HD21 LEU A 7 18.438 5.081 10.663 1.00 3.32 H new ATOM 0 HD22 LEU A 7 17.667 6.681 10.549 1.00 3.32 H new ATOM 0 HD23 LEU A 7 16.842 5.247 9.894 1.00 3.32 H new ATOM 112 N PRO A 8 14.748 8.036 8.180 1.00 45.25 N ATOM 113 CA PRO A 8 13.803 9.150 8.060 1.00 75.30 C ATOM 114 C PRO A 8 14.467 10.423 7.547 1.00 23.43 C ATOM 115 O PRO A 8 13.791 11.358 7.122 1.00 15.54 O ATOM 116 CB PRO A 8 13.304 9.347 9.494 1.00 71.03 C ATOM 117 CG PRO A 8 14.401 8.820 10.352 1.00 22.43 C ATOM 118 CD PRO A 8 15.020 7.685 9.584 1.00 74.24 C ATOM 0 HA PRO A 8 13.010 8.936 7.343 1.00 75.30 H new ATOM 0 HB2 PRO A 8 13.107 10.398 9.704 1.00 71.03 H new ATOM 0 HB3 PRO A 8 12.372 8.808 9.667 1.00 71.03 H new ATOM 0 HG2 PRO A 8 15.137 9.595 10.564 1.00 22.43 H new ATOM 0 HG3 PRO A 8 14.015 8.477 11.312 1.00 22.43 H new ATOM 0 HD2 PRO A 8 16.090 7.604 9.778 1.00 74.24 H new ATOM 0 HD3 PRO A 8 14.574 6.727 9.853 1.00 74.24 H new ATOM 126 N GLN A 9 15.795 10.450 7.590 1.00 65.50 N ATOM 127 CA GLN A 9 16.551 11.609 7.129 1.00 33.34 C ATOM 128 C GLN A 9 16.590 11.663 5.606 1.00 73.32 C ATOM 129 O GLN A 9 16.701 12.737 5.017 1.00 43.52 O ATOM 130 CB GLN A 9 17.975 11.570 7.687 1.00 53.42 C ATOM 131 CG GLN A 9 18.708 10.272 7.393 1.00 63.21 C ATOM 132 CD GLN A 9 20.214 10.445 7.369 1.00 22.20 C ATOM 133 OE1 GLN A 9 20.864 10.190 6.355 1.00 60.53 O ATOM 134 NE2 GLN A 9 20.778 10.881 8.489 1.00 21.14 N ATOM 0 H GLN A 9 16.370 9.683 7.939 1.00 65.50 H new ATOM 0 HA GLN A 9 16.050 12.506 7.493 1.00 33.34 H new ATOM 0 HB2 GLN A 9 18.543 12.401 7.269 1.00 53.42 H new ATOM 0 HB3 GLN A 9 17.938 11.720 8.766 1.00 53.42 H new ATOM 0 HG2 GLN A 9 18.443 9.531 8.147 1.00 63.21 H new ATOM 0 HG3 GLN A 9 18.376 9.881 6.431 1.00 63.21 H new ATOM 0 HE21 GLN A 9 20.201 11.080 9.306 1.00 21.14 H new ATOM 0 HE22 GLN A 9 21.788 11.017 8.532 1.00 21.14 H new ATOM 143 N GLN A 10 16.497 10.497 4.975 1.00 65.43 N ATOM 144 CA GLN A 10 16.523 10.412 3.519 1.00 4.23 C ATOM 145 C GLN A 10 15.226 9.814 2.985 1.00 21.15 C ATOM 146 O GLN A 10 15.213 9.171 1.936 1.00 75.54 O ATOM 147 CB GLN A 10 17.715 9.571 3.057 1.00 13.13 C ATOM 148 CG GLN A 10 19.021 10.347 2.998 1.00 13.00 C ATOM 149 CD GLN A 10 19.945 9.850 1.904 1.00 5.24 C ATOM 150 OE1 GLN A 10 19.806 10.225 0.740 1.00 43.42 O ATOM 151 NE2 GLN A 10 20.897 9.001 2.274 1.00 43.31 N ATOM 0 H GLN A 10 16.403 9.598 5.449 1.00 65.43 H new ATOM 0 HA GLN A 10 16.625 11.422 3.123 1.00 4.23 H new ATOM 0 HB2 GLN A 10 17.835 8.724 3.733 1.00 13.13 H new ATOM 0 HB3 GLN A 10 17.500 9.163 2.070 1.00 13.13 H new ATOM 0 HG2 GLN A 10 18.805 11.403 2.834 1.00 13.00 H new ATOM 0 HG3 GLN A 10 19.528 10.271 3.960 1.00 13.00 H new ATOM 0 HE21 GLN A 10 20.976 8.717 3.250 1.00 43.31 H new ATOM 0 HE22 GLN A 10 21.549 8.633 1.582 1.00 43.31 H new ATOM 160 N CYS A 11 14.137 10.030 3.715 1.00 33.31 N ATOM 161 CA CYS A 11 12.834 9.512 3.316 1.00 33.53 C ATOM 162 C CYS A 11 11.846 10.650 3.076 1.00 61.33 C ATOM 163 O CYS A 11 10.632 10.452 3.123 1.00 33.31 O ATOM 164 CB CYS A 11 12.288 8.566 4.388 1.00 33.01 C ATOM 165 SG CYS A 11 12.016 6.861 3.807 1.00 23.10 S ATOM 0 H CYS A 11 14.131 10.560 4.586 1.00 33.31 H new ATOM 0 HA CYS A 11 12.960 8.961 2.384 1.00 33.53 H new ATOM 0 HB2 CYS A 11 12.983 8.546 5.227 1.00 33.01 H new ATOM 0 HB3 CYS A 11 11.346 8.965 4.764 1.00 33.01 H new ATOM 170 N ILE A 12 12.376 11.840 2.817 1.00 10.54 N ATOM 171 CA ILE A 12 11.542 13.009 2.568 1.00 13.41 C ATOM 172 C ILE A 12 10.810 12.888 1.236 1.00 53.31 C ATOM 173 O ILE A 12 9.649 13.281 1.114 1.00 2.31 O ATOM 174 CB ILE A 12 12.374 14.305 2.568 1.00 51.33 C ATOM 175 CG1 ILE A 12 12.884 14.610 3.978 1.00 53.33 C ATOM 176 CG2 ILE A 12 11.547 15.466 2.035 1.00 32.21 C ATOM 177 CD1 ILE A 12 14.089 13.787 4.376 1.00 52.23 C ATOM 0 H ILE A 12 13.379 12.020 2.774 1.00 10.54 H new ATOM 0 HA ILE A 12 10.814 13.055 3.378 1.00 13.41 H new ATOM 0 HB ILE A 12 13.234 14.167 1.913 1.00 51.33 H new ATOM 0 HG12 ILE A 12 13.139 15.668 4.042 1.00 53.33 H new ATOM 0 HG13 ILE A 12 12.080 14.432 4.693 1.00 53.33 H new ATOM 0 HG21 ILE A 12 12.149 16.375 2.041 1.00 32.21 H new ATOM 0 HG22 ILE A 12 11.229 15.248 1.015 1.00 32.21 H new ATOM 0 HG23 ILE A 12 10.670 15.608 2.666 1.00 32.21 H new ATOM 0 HD11 ILE A 12 14.396 14.056 5.387 1.00 52.23 H new ATOM 0 HD12 ILE A 12 13.833 12.728 4.344 1.00 52.23 H new ATOM 0 HD13 ILE A 12 14.908 13.983 3.684 1.00 52.23 H new ATOM 189 N LYS A 13 11.495 12.340 0.238 1.00 31.13 N ATOM 190 CA LYS A 13 10.910 12.163 -1.086 1.00 23.23 C ATOM 191 C LYS A 13 9.624 11.347 -1.008 1.00 20.22 C ATOM 192 O LYS A 13 8.547 11.804 -1.390 1.00 74.41 O ATOM 193 CB LYS A 13 11.909 11.473 -2.018 1.00 54.45 C ATOM 194 CG LYS A 13 12.631 12.430 -2.951 1.00 12.41 C ATOM 195 CD LYS A 13 11.791 12.758 -4.174 1.00 35.11 C ATOM 196 CE LYS A 13 12.349 13.953 -4.930 1.00 44.24 C ATOM 197 NZ LYS A 13 11.755 14.077 -6.290 1.00 34.30 N ATOM 0 H LYS A 13 12.457 12.011 0.321 1.00 31.13 H new ATOM 0 HA LYS A 13 10.670 13.148 -1.485 1.00 23.23 H new ATOM 0 HB2 LYS A 13 12.646 10.940 -1.417 1.00 54.45 H new ATOM 0 HB3 LYS A 13 11.383 10.727 -2.613 1.00 54.45 H new ATOM 0 HG2 LYS A 13 12.871 13.349 -2.416 1.00 12.41 H new ATOM 0 HG3 LYS A 13 13.577 11.988 -3.266 1.00 12.41 H new ATOM 0 HD2 LYS A 13 11.756 11.892 -4.835 1.00 35.11 H new ATOM 0 HD3 LYS A 13 10.766 12.967 -3.867 1.00 35.11 H new ATOM 0 HE2 LYS A 13 12.154 14.864 -4.364 1.00 44.24 H new ATOM 0 HE3 LYS A 13 13.431 13.856 -5.014 1.00 44.24 H new ATOM 0 HZ1 LYS A 13 12.162 14.904 -6.772 1.00 34.30 H new ATOM 0 HZ2 LYS A 13 11.963 13.219 -6.839 1.00 34.30 H new ATOM 0 HZ3 LYS A 13 10.725 14.195 -6.209 1.00 34.30 H new ATOM 211 N PRO A 14 9.736 10.110 -0.500 1.00 3.41 N ATOM 212 CA PRO A 14 8.592 9.206 -0.358 1.00 75.11 C ATOM 213 C PRO A 14 7.619 9.667 0.722 1.00 74.04 C ATOM 214 O PRO A 14 6.520 9.126 0.854 1.00 24.14 O ATOM 215 CB PRO A 14 9.237 7.876 0.037 1.00 65.51 C ATOM 216 CG PRO A 14 10.526 8.256 0.681 1.00 14.31 C ATOM 217 CD PRO A 14 10.989 9.501 -0.024 1.00 65.43 C ATOM 0 HA PRO A 14 7.999 9.153 -1.271 1.00 75.11 H new ATOM 0 HB2 PRO A 14 8.602 7.316 0.723 1.00 65.51 H new ATOM 0 HB3 PRO A 14 9.402 7.242 -0.834 1.00 65.51 H new ATOM 0 HG2 PRO A 14 10.391 8.438 1.747 1.00 14.31 H new ATOM 0 HG3 PRO A 14 11.261 7.457 0.585 1.00 14.31 H new ATOM 0 HD2 PRO A 14 11.529 10.167 0.649 1.00 65.43 H new ATOM 0 HD3 PRO A 14 11.662 9.269 -0.850 1.00 65.43 H new ATOM 225 N CYS A 15 8.028 10.670 1.491 1.00 31.12 N ATOM 226 CA CYS A 15 7.193 11.205 2.560 1.00 72.41 C ATOM 227 C CYS A 15 6.922 12.691 2.346 1.00 13.05 C ATOM 228 O CYS A 15 6.736 13.444 3.303 1.00 34.50 O ATOM 229 CB CYS A 15 7.864 10.987 3.917 1.00 1.14 C ATOM 230 SG CYS A 15 6.726 11.093 5.335 1.00 15.45 S ATOM 0 H CYS A 15 8.934 11.129 1.394 1.00 31.12 H new ATOM 0 HA CYS A 15 6.241 10.674 2.544 1.00 72.41 H new ATOM 0 HB2 CYS A 15 8.342 10.007 3.921 1.00 1.14 H new ATOM 0 HB3 CYS A 15 8.654 11.727 4.043 1.00 1.14 H new ATOM 235 N LYS A 16 6.901 13.108 1.085 1.00 74.41 N ATOM 236 CA LYS A 16 6.651 14.503 0.744 1.00 51.05 C ATOM 237 C LYS A 16 5.155 14.775 0.628 1.00 54.45 C ATOM 238 O LYS A 16 4.678 15.846 1.005 1.00 51.03 O ATOM 239 CB LYS A 16 7.349 14.861 -0.571 1.00 34.33 C ATOM 240 CG LYS A 16 6.800 14.112 -1.774 1.00 5.45 C ATOM 241 CD LYS A 16 7.765 14.160 -2.947 1.00 31.23 C ATOM 242 CE LYS A 16 7.971 15.583 -3.441 1.00 44.33 C ATOM 243 NZ LYS A 16 7.943 15.663 -4.928 1.00 44.41 N ATOM 0 H LYS A 16 7.054 12.499 0.281 1.00 74.41 H new ATOM 0 HA LYS A 16 7.054 15.124 1.543 1.00 51.05 H new ATOM 0 HB2 LYS A 16 7.251 15.933 -0.745 1.00 34.33 H new ATOM 0 HB3 LYS A 16 8.414 14.649 -0.477 1.00 34.33 H new ATOM 0 HG2 LYS A 16 6.608 13.074 -1.501 1.00 5.45 H new ATOM 0 HG3 LYS A 16 5.845 14.546 -2.069 1.00 5.45 H new ATOM 0 HD2 LYS A 16 8.723 13.735 -2.649 1.00 31.23 H new ATOM 0 HD3 LYS A 16 7.382 13.543 -3.760 1.00 31.23 H new ATOM 0 HE2 LYS A 16 7.195 16.227 -3.028 1.00 44.33 H new ATOM 0 HE3 LYS A 16 8.926 15.960 -3.075 1.00 44.33 H new ATOM 0 HZ1 LYS A 16 8.087 16.649 -5.225 1.00 44.41 H new ATOM 0 HZ2 LYS A 16 8.700 15.069 -5.322 1.00 44.41 H new ATOM 0 HZ3 LYS A 16 7.022 15.327 -5.276 1.00 44.41 H new ATOM 257 N ASP A 17 4.419 13.800 0.105 1.00 2.22 N ATOM 258 CA ASP A 17 2.976 13.934 -0.058 1.00 3.12 C ATOM 259 C ASP A 17 2.286 14.060 1.297 1.00 52.34 C ATOM 260 O ASP A 17 1.205 14.640 1.402 1.00 64.01 O ATOM 261 CB ASP A 17 2.414 12.734 -0.821 1.00 22.41 C ATOM 262 CG ASP A 17 2.985 12.618 -2.221 1.00 2.35 C ATOM 263 OD1 ASP A 17 2.851 13.587 -2.998 1.00 60.41 O ATOM 264 OD2 ASP A 17 3.567 11.560 -2.538 1.00 40.21 O ATOM 0 H ASP A 17 4.798 12.908 -0.213 1.00 2.22 H new ATOM 0 HA ASP A 17 2.782 14.841 -0.630 1.00 3.12 H new ATOM 0 HB2 ASP A 17 2.631 11.821 -0.267 1.00 22.41 H new ATOM 0 HB3 ASP A 17 1.329 12.821 -0.880 1.00 22.41 H new ATOM 269 N ALA A 18 2.917 13.513 2.330 1.00 31.31 N ATOM 270 CA ALA A 18 2.364 13.565 3.678 1.00 71.13 C ATOM 271 C ALA A 18 2.669 14.902 4.345 1.00 72.31 C ATOM 272 O ALA A 18 1.966 15.323 5.263 1.00 44.02 O ATOM 273 CB ALA A 18 2.908 12.418 4.516 1.00 23.03 C ATOM 0 H ALA A 18 3.812 13.028 2.260 1.00 31.31 H new ATOM 0 HA ALA A 18 1.281 13.464 3.604 1.00 71.13 H new ATOM 0 HB1 ALA A 18 2.487 12.469 5.520 1.00 23.03 H new ATOM 0 HB2 ALA A 18 2.634 11.469 4.055 1.00 23.03 H new ATOM 0 HB3 ALA A 18 3.994 12.493 4.574 1.00 23.03 H new ATOM 279 N GLY A 19 3.722 15.565 3.877 1.00 23.24 N ATOM 280 CA GLY A 19 4.102 16.847 4.441 1.00 30.14 C ATOM 281 C GLY A 19 4.839 16.706 5.759 1.00 73.55 C ATOM 282 O GLY A 19 4.911 17.652 6.541 1.00 10.25 O ATOM 0 H GLY A 19 4.319 15.237 3.117 1.00 23.24 H new ATOM 0 HA2 GLY A 19 4.734 17.380 3.730 1.00 30.14 H new ATOM 0 HA3 GLY A 19 3.209 17.453 4.591 1.00 30.14 H new ATOM 286 N MET A 20 5.386 15.520 6.004 1.00 33.45 N ATOM 287 CA MET A 20 6.120 15.258 7.237 1.00 62.11 C ATOM 288 C MET A 20 7.623 15.219 6.977 1.00 73.15 C ATOM 289 O MET A 20 8.070 15.386 5.842 1.00 51.42 O ATOM 290 CB MET A 20 5.664 13.936 7.857 1.00 73.10 C ATOM 291 CG MET A 20 4.492 14.086 8.814 1.00 43.10 C ATOM 292 SD MET A 20 2.899 14.073 7.969 1.00 3.04 S ATOM 293 CE MET A 20 2.511 12.325 8.006 1.00 62.23 C ATOM 0 H MET A 20 5.335 14.726 5.366 1.00 33.45 H new ATOM 0 HA MET A 20 5.910 16.069 7.934 1.00 62.11 H new ATOM 0 HB2 MET A 20 5.386 13.247 7.060 1.00 73.10 H new ATOM 0 HB3 MET A 20 6.502 13.486 8.389 1.00 73.10 H new ATOM 0 HG2 MET A 20 4.518 13.277 9.544 1.00 43.10 H new ATOM 0 HG3 MET A 20 4.597 15.019 9.368 1.00 43.10 H new ATOM 0 HE1 MET A 20 1.466 12.179 7.734 1.00 62.23 H new ATOM 0 HE2 MET A 20 3.148 11.796 7.297 1.00 62.23 H new ATOM 0 HE3 MET A 20 2.683 11.935 9.009 1.00 62.23 H new ATOM 303 N ARG A 21 8.396 14.997 8.034 1.00 4.20 N ATOM 304 CA ARG A 21 9.849 14.938 7.919 1.00 34.12 C ATOM 305 C ARG A 21 10.386 13.629 8.490 1.00 61.45 C ATOM 306 O ARG A 21 11.256 12.991 7.895 1.00 35.11 O ATOM 307 CB ARG A 21 10.488 16.123 8.645 1.00 13.21 C ATOM 308 CG ARG A 21 10.800 17.299 7.734 1.00 61.12 C ATOM 309 CD ARG A 21 11.898 18.177 8.314 1.00 53.01 C ATOM 310 NE ARG A 21 12.141 19.362 7.495 1.00 33.14 N ATOM 311 CZ ARG A 21 13.227 20.118 7.602 1.00 43.42 C ATOM 312 NH1 ARG A 21 14.167 19.815 8.487 1.00 35.30 N ATOM 313 NH2 ARG A 21 13.376 21.181 6.821 1.00 5.02 N ATOM 0 H ARG A 21 8.041 14.855 8.980 1.00 4.20 H new ATOM 0 HA ARG A 21 10.107 14.987 6.861 1.00 34.12 H new ATOM 0 HB2 ARG A 21 9.819 16.456 9.438 1.00 13.21 H new ATOM 0 HB3 ARG A 21 11.409 15.791 9.124 1.00 13.21 H new ATOM 0 HG2 ARG A 21 11.106 16.931 6.755 1.00 61.12 H new ATOM 0 HG3 ARG A 21 9.899 17.893 7.584 1.00 61.12 H new ATOM 0 HD2 ARG A 21 11.622 18.484 9.323 1.00 53.01 H new ATOM 0 HD3 ARG A 21 12.818 17.599 8.397 1.00 53.01 H new ATOM 0 HE ARG A 21 11.438 19.623 6.803 1.00 33.14 H new ATOM 0 HH11 ARG A 21 14.057 18.999 9.088 1.00 35.30 H new ATOM 0 HH12 ARG A 21 15.000 20.398 8.566 1.00 35.30 H new ATOM 0 HH21 ARG A 21 12.656 21.417 6.138 1.00 5.02 H new ATOM 0 HH22 ARG A 21 14.211 21.762 6.904 1.00 5.02 H new ATOM 327 N PHE A 22 9.863 13.234 9.646 1.00 61.03 N ATOM 328 CA PHE A 22 10.291 12.002 10.297 1.00 21.34 C ATOM 329 C PHE A 22 9.841 10.780 9.501 1.00 50.51 C ATOM 330 O PHE A 22 9.263 10.908 8.422 1.00 24.42 O ATOM 331 CB PHE A 22 9.732 11.931 11.720 1.00 50.21 C ATOM 332 CG PHE A 22 10.411 12.868 12.678 1.00 70.21 C ATOM 333 CD1 PHE A 22 10.077 14.212 12.707 1.00 41.31 C ATOM 334 CD2 PHE A 22 11.383 12.404 13.550 1.00 73.32 C ATOM 335 CE1 PHE A 22 10.701 15.076 13.587 1.00 40.21 C ATOM 336 CE2 PHE A 22 12.010 13.263 14.432 1.00 32.04 C ATOM 337 CZ PHE A 22 11.668 14.601 14.452 1.00 74.14 C ATOM 0 H PHE A 22 9.142 13.749 10.151 1.00 61.03 H new ATOM 0 HA PHE A 22 11.380 12.004 10.341 1.00 21.34 H new ATOM 0 HB2 PHE A 22 8.666 12.159 11.695 1.00 50.21 H new ATOM 0 HB3 PHE A 22 9.831 10.911 12.090 1.00 50.21 H new ATOM 0 HD1 PHE A 22 9.321 14.589 12.035 1.00 41.31 H new ATOM 0 HD2 PHE A 22 11.654 11.359 13.540 1.00 73.32 H new ATOM 0 HE1 PHE A 22 10.433 16.122 13.598 1.00 40.21 H new ATOM 0 HE2 PHE A 22 12.767 12.889 15.105 1.00 32.04 H new ATOM 0 HZ PHE A 22 12.155 15.274 15.142 1.00 74.14 H new ATOM 347 N GLY A 23 10.111 9.596 10.042 1.00 50.04 N ATOM 348 CA GLY A 23 9.728 8.369 9.369 1.00 61.35 C ATOM 349 C GLY A 23 10.227 7.132 10.089 1.00 11.25 C ATOM 350 O GLY A 23 10.947 7.231 11.083 1.00 3.40 O ATOM 0 H GLY A 23 10.588 9.465 10.934 1.00 50.04 H new ATOM 0 HA2 GLY A 23 8.642 8.326 9.290 1.00 61.35 H new ATOM 0 HA3 GLY A 23 10.122 8.378 8.353 1.00 61.35 H new ATOM 354 N LYS A 24 9.842 5.962 9.590 1.00 3.50 N ATOM 355 CA LYS A 24 10.254 4.700 10.192 1.00 2.24 C ATOM 356 C LYS A 24 10.480 3.635 9.124 1.00 50.43 C ATOM 357 O LYS A 24 9.585 3.335 8.334 1.00 73.35 O ATOM 358 CB LYS A 24 9.199 4.220 11.191 1.00 31.32 C ATOM 359 CG LYS A 24 9.460 4.673 12.617 1.00 23.42 C ATOM 360 CD LYS A 24 10.343 3.686 13.363 1.00 72.31 C ATOM 361 CE LYS A 24 11.818 4.012 13.185 1.00 72.34 C ATOM 362 NZ LYS A 24 12.657 3.378 14.239 1.00 63.34 N ATOM 0 H LYS A 24 9.245 5.862 8.769 1.00 3.50 H new ATOM 0 HA LYS A 24 11.194 4.867 10.717 1.00 2.24 H new ATOM 0 HB2 LYS A 24 8.221 4.584 10.876 1.00 31.32 H new ATOM 0 HB3 LYS A 24 9.157 3.131 11.167 1.00 31.32 H new ATOM 0 HG2 LYS A 24 9.936 5.653 12.607 1.00 23.42 H new ATOM 0 HG3 LYS A 24 8.512 4.785 13.144 1.00 23.42 H new ATOM 0 HD2 LYS A 24 10.092 3.701 14.423 1.00 72.31 H new ATOM 0 HD3 LYS A 24 10.147 2.676 13.003 1.00 72.31 H new ATOM 0 HE2 LYS A 24 12.149 3.672 12.204 1.00 72.34 H new ATOM 0 HE3 LYS A 24 11.957 5.093 13.212 1.00 72.34 H new ATOM 0 HZ1 LYS A 24 13.655 3.624 14.083 1.00 63.34 H new ATOM 0 HZ2 LYS A 24 12.358 3.721 15.174 1.00 63.34 H new ATOM 0 HZ3 LYS A 24 12.545 2.345 14.198 1.00 63.34 H new ATOM 376 N CYS A 25 11.681 3.067 9.106 1.00 51.13 N ATOM 377 CA CYS A 25 12.025 2.035 8.135 1.00 35.12 C ATOM 378 C CYS A 25 11.770 0.643 8.708 1.00 41.52 C ATOM 379 O CYS A 25 12.381 0.249 9.701 1.00 73.44 O ATOM 380 CB CYS A 25 13.490 2.166 7.717 1.00 4.12 C ATOM 381 SG CYS A 25 14.096 0.790 6.688 1.00 2.24 S ATOM 0 H CYS A 25 12.433 3.304 9.753 1.00 51.13 H new ATOM 0 HA CYS A 25 11.391 2.170 7.258 1.00 35.12 H new ATOM 0 HB2 CYS A 25 13.618 3.099 7.169 1.00 4.12 H new ATOM 0 HB3 CYS A 25 14.107 2.235 8.613 1.00 4.12 H new ATOM 386 N MET A 26 10.864 -0.095 8.074 1.00 5.51 N ATOM 387 CA MET A 26 10.530 -1.442 8.520 1.00 63.45 C ATOM 388 C MET A 26 9.764 -2.198 7.438 1.00 4.03 C ATOM 389 O MET A 26 9.116 -1.592 6.586 1.00 31.51 O ATOM 390 CB MET A 26 9.701 -1.387 9.804 1.00 23.21 C ATOM 391 CG MET A 26 9.919 -2.581 10.719 1.00 34.15 C ATOM 392 SD MET A 26 9.466 -2.236 12.430 1.00 22.14 S ATOM 393 CE MET A 26 10.418 -3.486 13.291 1.00 42.31 C ATOM 0 H MET A 26 10.349 0.217 7.251 1.00 5.51 H new ATOM 0 HA MET A 26 11.461 -1.973 8.720 1.00 63.45 H new ATOM 0 HB2 MET A 26 9.947 -0.474 10.347 1.00 23.21 H new ATOM 0 HB3 MET A 26 8.644 -1.328 9.543 1.00 23.21 H new ATOM 0 HG2 MET A 26 9.333 -3.425 10.355 1.00 34.15 H new ATOM 0 HG3 MET A 26 10.967 -2.879 10.678 1.00 34.15 H new ATOM 0 HE1 MET A 26 10.243 -3.402 14.364 1.00 42.31 H new ATOM 0 HE2 MET A 26 10.112 -4.475 12.950 1.00 42.31 H new ATOM 0 HE3 MET A 26 11.478 -3.343 13.084 1.00 42.31 H new ATOM 403 N ASN A 27 9.845 -3.524 7.480 1.00 75.05 N ATOM 404 CA ASN A 27 9.159 -4.362 6.502 1.00 2.12 C ATOM 405 C ASN A 27 9.491 -3.921 5.080 1.00 65.52 C ATOM 406 O ASN A 27 8.627 -3.909 4.204 1.00 54.24 O ATOM 407 CB ASN A 27 7.646 -4.308 6.725 1.00 44.34 C ATOM 408 CG ASN A 27 6.914 -5.417 5.994 1.00 45.33 C ATOM 409 OD1 ASN A 27 6.084 -5.158 5.123 1.00 74.42 O ATOM 410 ND2 ASN A 27 7.221 -6.660 6.346 1.00 14.13 N ATOM 0 H ASN A 27 10.378 -4.041 8.179 1.00 75.05 H new ATOM 0 HA ASN A 27 9.503 -5.388 6.635 1.00 2.12 H new ATOM 0 HB2 ASN A 27 7.436 -4.380 7.792 1.00 44.34 H new ATOM 0 HB3 ASN A 27 7.266 -3.343 6.389 1.00 44.34 H new ATOM 0 HD21 ASN A 27 6.762 -7.448 5.889 1.00 14.13 H new ATOM 0 HD22 ASN A 27 7.916 -6.827 7.074 1.00 14.13 H new ATOM 417 N LYS A 28 10.751 -3.561 4.857 1.00 72.11 N ATOM 418 CA LYS A 28 11.200 -3.122 3.541 1.00 11.42 C ATOM 419 C LYS A 28 10.326 -1.985 3.019 1.00 20.55 C ATOM 420 O LYS A 28 10.121 -1.850 1.813 1.00 11.41 O ATOM 421 CB LYS A 28 11.177 -4.291 2.555 1.00 72.34 C ATOM 422 CG LYS A 28 12.081 -5.444 2.956 1.00 0.33 C ATOM 423 CD LYS A 28 12.481 -6.283 1.755 1.00 65.32 C ATOM 424 CE LYS A 28 13.518 -5.572 0.899 1.00 62.23 C ATOM 425 NZ LYS A 28 14.753 -5.259 1.669 1.00 25.02 N ATOM 0 H LYS A 28 11.479 -3.565 5.571 1.00 72.11 H new ATOM 0 HA LYS A 28 12.222 -2.756 3.637 1.00 11.42 H new ATOM 0 HB2 LYS A 28 10.155 -4.657 2.463 1.00 72.34 H new ATOM 0 HB3 LYS A 28 11.477 -3.931 1.571 1.00 72.34 H new ATOM 0 HG2 LYS A 28 12.975 -5.054 3.443 1.00 0.33 H new ATOM 0 HG3 LYS A 28 11.569 -6.072 3.685 1.00 0.33 H new ATOM 0 HD2 LYS A 28 12.881 -7.239 2.094 1.00 65.32 H new ATOM 0 HD3 LYS A 28 11.599 -6.502 1.153 1.00 65.32 H new ATOM 0 HE2 LYS A 28 13.772 -6.197 0.043 1.00 62.23 H new ATOM 0 HE3 LYS A 28 13.092 -4.649 0.505 1.00 62.23 H new ATOM 0 HZ1 LYS A 28 15.545 -5.113 1.011 1.00 25.02 H new ATOM 0 HZ2 LYS A 28 14.604 -4.395 2.229 1.00 25.02 H new ATOM 0 HZ3 LYS A 28 14.975 -6.050 2.306 1.00 25.02 H new ATOM 439 N LYS A 29 9.814 -1.170 3.935 1.00 23.34 N ATOM 440 CA LYS A 29 8.965 -0.044 3.569 1.00 54.54 C ATOM 441 C LYS A 29 9.275 1.176 4.431 1.00 20.52 C ATOM 442 O LYS A 29 9.802 1.049 5.537 1.00 65.53 O ATOM 443 CB LYS A 29 7.489 -0.422 3.714 1.00 21.33 C ATOM 444 CG LYS A 29 6.550 0.474 2.926 1.00 42.41 C ATOM 445 CD LYS A 29 5.097 0.206 3.278 1.00 54.51 C ATOM 446 CE LYS A 29 4.248 1.460 3.132 1.00 75.15 C ATOM 447 NZ LYS A 29 2.849 1.239 3.592 1.00 12.35 N ATOM 0 H LYS A 29 9.973 -1.269 4.938 1.00 23.34 H new ATOM 0 HA LYS A 29 9.169 0.208 2.528 1.00 54.54 H new ATOM 0 HB2 LYS A 29 7.353 -1.453 3.387 1.00 21.33 H new ATOM 0 HB3 LYS A 29 7.215 -0.383 4.768 1.00 21.33 H new ATOM 0 HG2 LYS A 29 6.787 1.518 3.128 1.00 42.41 H new ATOM 0 HG3 LYS A 29 6.702 0.313 1.859 1.00 42.41 H new ATOM 0 HD2 LYS A 29 4.704 -0.578 2.631 1.00 54.51 H new ATOM 0 HD3 LYS A 29 5.031 -0.162 4.302 1.00 54.51 H new ATOM 0 HE2 LYS A 29 4.696 2.271 3.707 1.00 75.15 H new ATOM 0 HE3 LYS A 29 4.242 1.775 2.089 1.00 75.15 H new ATOM 0 HZ1 LYS A 29 2.303 2.116 3.476 1.00 12.35 H new ATOM 0 HZ2 LYS A 29 2.413 0.483 3.027 1.00 12.35 H new ATOM 0 HZ3 LYS A 29 2.853 0.963 4.595 1.00 12.35 H new ATOM 461 N CYS A 30 8.943 2.356 3.920 1.00 44.40 N ATOM 462 CA CYS A 30 9.185 3.599 4.644 1.00 65.35 C ATOM 463 C CYS A 30 7.881 4.175 5.187 1.00 60.23 C ATOM 464 O CYS A 30 6.942 4.431 4.433 1.00 42.32 O ATOM 465 CB CYS A 30 9.866 4.621 3.731 1.00 61.43 C ATOM 466 SG CYS A 30 10.296 6.186 4.557 1.00 14.14 S ATOM 0 H CYS A 30 8.505 2.478 3.007 1.00 44.40 H new ATOM 0 HA CYS A 30 9.842 3.378 5.485 1.00 65.35 H new ATOM 0 HB2 CYS A 30 10.773 4.178 3.321 1.00 61.43 H new ATOM 0 HB3 CYS A 30 9.208 4.836 2.889 1.00 61.43 H new ATOM 471 N ARG A 31 7.831 4.376 6.499 1.00 32.25 N ATOM 472 CA ARG A 31 6.642 4.921 7.144 1.00 30.51 C ATOM 473 C ARG A 31 6.802 6.415 7.406 1.00 3.13 C ATOM 474 O ARG A 31 7.905 6.896 7.668 1.00 64.31 O ATOM 475 CB ARG A 31 6.368 4.188 8.459 1.00 75.24 C ATOM 476 CG ARG A 31 5.319 4.865 9.326 1.00 3.21 C ATOM 477 CD ARG A 31 4.777 3.919 10.386 1.00 3.11 C ATOM 478 NE ARG A 31 3.891 2.908 9.816 1.00 41.13 N ATOM 479 CZ ARG A 31 2.667 3.170 9.371 1.00 0.13 C ATOM 480 NH1 ARG A 31 2.187 4.404 9.431 1.00 53.52 N ATOM 481 NH2 ARG A 31 1.921 2.196 8.866 1.00 51.44 N ATOM 0 H ARG A 31 8.600 4.170 7.137 1.00 32.25 H new ATOM 0 HA ARG A 31 5.796 4.776 6.472 1.00 30.51 H new ATOM 0 HB2 ARG A 31 6.043 3.171 8.238 1.00 75.24 H new ATOM 0 HB3 ARG A 31 7.298 4.110 9.022 1.00 75.24 H new ATOM 0 HG2 ARG A 31 5.753 5.741 9.807 1.00 3.21 H new ATOM 0 HG3 ARG A 31 4.500 5.218 8.699 1.00 3.21 H new ATOM 0 HD2 ARG A 31 5.608 3.428 10.893 1.00 3.11 H new ATOM 0 HD3 ARG A 31 4.236 4.491 11.140 1.00 3.11 H new ATOM 0 HE ARG A 31 4.230 1.948 9.756 1.00 41.13 H new ATOM 0 HH11 ARG A 31 2.758 5.155 9.819 1.00 53.52 H new ATOM 0 HH12 ARG A 31 1.247 4.603 9.089 1.00 53.52 H new ATOM 0 HH21 ARG A 31 2.287 1.245 8.819 1.00 51.44 H new ATOM 0 HH22 ARG A 31 0.981 2.398 8.525 1.00 51.44 H new ATOM 495 N CYS A 32 5.695 7.145 7.334 1.00 55.41 N ATOM 496 CA CYS A 32 5.711 8.585 7.562 1.00 11.21 C ATOM 497 C CYS A 32 5.377 8.909 9.016 1.00 45.45 C ATOM 498 O CYS A 32 4.472 8.316 9.603 1.00 4.40 O ATOM 499 CB CYS A 32 4.716 9.282 6.632 1.00 72.54 C ATOM 500 SG CYS A 32 5.345 9.560 4.945 1.00 50.12 S ATOM 0 H CYS A 32 4.774 6.763 7.119 1.00 55.41 H new ATOM 0 HA CYS A 32 6.715 8.950 7.347 1.00 11.21 H new ATOM 0 HB2 CYS A 32 3.807 8.683 6.575 1.00 72.54 H new ATOM 0 HB3 CYS A 32 4.439 10.242 7.068 1.00 72.54 H new ATOM 505 N TYR A 33 6.115 9.854 9.589 1.00 55.00 N ATOM 506 CA TYR A 33 5.899 10.256 10.974 1.00 42.01 C ATOM 507 C TYR A 33 5.964 11.774 11.117 1.00 72.40 C ATOM 508 O TYR A 33 6.747 12.440 10.440 1.00 73.54 O ATOM 509 CB TYR A 33 6.940 9.602 11.884 1.00 12.05 C ATOM 510 CG TYR A 33 6.382 9.152 13.216 1.00 71.43 C ATOM 511 CD1 TYR A 33 5.813 7.893 13.363 1.00 62.31 C ATOM 512 CD2 TYR A 33 6.425 9.985 14.327 1.00 54.24 C ATOM 513 CE1 TYR A 33 5.302 7.478 14.577 1.00 34.51 C ATOM 514 CE2 TYR A 33 5.917 9.578 15.545 1.00 32.22 C ATOM 515 CZ TYR A 33 5.356 8.323 15.665 1.00 11.52 C ATOM 516 OH TYR A 33 4.849 7.913 16.877 1.00 53.12 O ATOM 0 H TYR A 33 6.867 10.355 9.116 1.00 55.00 H new ATOM 0 HA TYR A 33 4.905 9.923 11.272 1.00 42.01 H new ATOM 0 HB2 TYR A 33 7.370 8.742 11.371 1.00 12.05 H new ATOM 0 HB3 TYR A 33 7.752 10.308 12.059 1.00 12.05 H new ATOM 0 HD1 TYR A 33 5.770 7.228 12.513 1.00 62.31 H new ATOM 0 HD2 TYR A 33 6.863 10.968 14.237 1.00 54.24 H new ATOM 0 HE1 TYR A 33 4.862 6.496 14.674 1.00 34.51 H new ATOM 0 HE2 TYR A 33 5.959 10.238 16.399 1.00 32.22 H new ATOM 0 HH TYR A 33 4.967 8.626 17.539 1.00 53.12 H new ATOM 526 N SER A 34 5.135 12.313 12.005 1.00 54.55 N ATOM 527 CA SER A 34 5.094 13.753 12.236 1.00 71.32 C ATOM 528 C SER A 34 5.818 14.116 13.529 1.00 62.24 C ATOM 529 O SER A 34 6.579 15.081 13.575 1.00 14.33 O ATOM 530 CB SER A 34 3.645 14.240 12.295 1.00 0.24 C ATOM 531 OG SER A 34 2.808 13.279 12.915 1.00 65.20 O ATOM 0 H SER A 34 4.483 11.775 12.576 1.00 54.55 H new ATOM 0 HA SER A 34 5.601 14.244 11.406 1.00 71.32 H new ATOM 0 HB2 SER A 34 3.596 15.179 12.846 1.00 0.24 H new ATOM 0 HB3 SER A 34 3.285 14.443 11.286 1.00 0.24 H new ATOM 0 HG SER A 34 1.888 13.615 12.942 1.00 65.20 H new TER 537 SER A 34