USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 527 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 29 HIS : no HD1:sc= -0.573 K(o=-1.1,f=-2.9) USER MOD Set 1.2: A 46 ASN : amide:sc= -0.507 K(o=-1.1,f=-6.2!) USER MOD Set 1.3: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 27 TYR OH : rot -33:sc= 0.104 USER MOD Set 2.2: A 56 CYS SG : rot -31:sc= 0.188 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 100:sc= -0.0289 USER MOD Single : A 9 ASN : amide:sc= 0.15 K(o=0.15,f=0.71) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 16 SER OG : rot 180:sc= -0.117 USER MOD Single : A 17 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.092) USER MOD Single : A 25 SER OG : rot 51:sc= 1.25 USER MOD Single : A 31 MET CE :methyl 176:sc= -0.0137 (180deg=-0.0793) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 58 SER OG : rot -46:sc= 0.308 USER MOD Single : A 59 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.913 41.276 32.722 1.00 0.00 N ATOM 2 CA PRO A 1 20.159 41.761 32.097 1.00 0.00 C ATOM 3 C PRO A 1 20.474 41.097 30.745 1.00 0.00 C ATOM 4 O PRO A 1 19.859 40.083 30.407 1.00 0.00 O ATOM 5 CB PRO A 1 21.239 41.542 33.161 1.00 0.00 C ATOM 6 CG PRO A 1 20.484 41.735 34.488 1.00 0.00 C ATOM 7 CD PRO A 1 19.011 41.829 34.081 1.00 0.00 C ATOM 0 H2 PRO A 1 18.861 40.257 32.728 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.085 41.614 32.232 1.00 0.00 H new ATOM 0 HA PRO A 1 20.083 42.812 31.818 1.00 0.00 H new ATOM 0 HB2 PRO A 1 21.676 40.546 33.090 1.00 0.00 H new ATOM 0 HB3 PRO A 1 22.055 42.257 33.057 1.00 0.00 H new ATOM 0 HG2 PRO A 1 20.656 40.900 35.167 1.00 0.00 H new ATOM 0 HG3 PRO A 1 20.812 42.638 35.003 1.00 0.00 H new ATOM 0 HD2 PRO A 1 18.382 41.269 34.773 1.00 0.00 H new ATOM 0 HD3 PRO A 1 18.668 42.863 34.104 1.00 0.00 H new ATOM 17 N LYS A 2 21.420 41.672 29.984 1.00 0.00 N ATOM 18 CA LYS A 2 21.848 41.225 28.642 1.00 0.00 C ATOM 19 C LYS A 2 23.366 41.032 28.624 1.00 0.00 C ATOM 20 O LYS A 2 24.119 42.002 28.507 1.00 0.00 O ATOM 21 CB LYS A 2 21.436 42.232 27.545 1.00 0.00 C ATOM 22 CG LYS A 2 19.934 42.545 27.462 1.00 0.00 C ATOM 23 CD LYS A 2 19.599 44.010 27.794 1.00 0.00 C ATOM 24 CE LYS A 2 20.026 44.407 29.211 1.00 0.00 C ATOM 25 NZ LYS A 2 19.474 45.718 29.605 1.00 0.00 N ATOM 0 H LYS A 2 21.931 42.497 30.298 1.00 0.00 H new ATOM 0 HA LYS A 2 21.350 40.279 28.429 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.975 43.165 27.712 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.762 41.844 26.580 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.577 42.316 26.458 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.395 41.892 28.148 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.092 44.663 27.074 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.526 44.167 27.685 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.693 43.646 29.917 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.114 44.440 29.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.786 45.950 30.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.812 46.449 28.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.435 45.680 29.577 1.00 0.00 H new ATOM 39 N SER A 3 23.820 39.797 28.774 1.00 0.00 N ATOM 40 CA SER A 3 25.197 39.471 29.149 1.00 0.00 C ATOM 41 C SER A 3 25.790 38.470 28.167 1.00 0.00 C ATOM 42 O SER A 3 25.529 37.264 28.239 1.00 0.00 O ATOM 43 CB SER A 3 25.208 38.935 30.583 1.00 0.00 C ATOM 44 OG SER A 3 24.535 39.847 31.431 1.00 0.00 O ATOM 0 H SER A 3 23.234 38.974 28.637 1.00 0.00 H new ATOM 0 HA SER A 3 25.817 40.366 29.108 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.723 37.960 30.622 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.234 38.795 30.923 1.00 0.00 H new ATOM 0 HG SER A 3 23.623 39.529 31.595 1.00 0.00 H new ATOM 50 N ARG A 4 26.589 38.974 27.221 1.00 0.00 N ATOM 51 CA ARG A 4 27.190 38.155 26.169 1.00 0.00 C ATOM 52 C ARG A 4 28.482 37.489 26.620 1.00 0.00 C ATOM 53 O ARG A 4 29.191 37.989 27.492 1.00 0.00 O ATOM 54 CB ARG A 4 27.294 38.916 24.835 1.00 0.00 C ATOM 55 CG ARG A 4 28.651 39.566 24.517 1.00 0.00 C ATOM 56 CD ARG A 4 28.469 40.407 23.254 1.00 0.00 C ATOM 57 NE ARG A 4 29.717 40.869 22.622 1.00 0.00 N ATOM 58 CZ ARG A 4 29.767 41.489 21.455 1.00 0.00 C ATOM 59 NH1 ARG A 4 28.708 41.822 20.780 1.00 0.00 N ATOM 60 NH2 ARG A 4 30.897 41.786 20.904 1.00 0.00 N ATOM 0 H ARG A 4 26.836 39.962 27.165 1.00 0.00 H new ATOM 0 HA ARG A 4 26.511 37.326 25.969 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.050 38.225 24.028 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.533 39.696 24.827 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.983 40.188 25.348 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.415 38.804 24.364 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.907 39.823 22.526 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.862 41.278 23.501 1.00 0.00 H new ATOM 0 HE ARG A 4 30.595 40.701 23.114 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.781 41.606 21.146 1.00 0.00 H new ATOM 0 HH12 ARG A 4 28.804 42.300 19.884 1.00 0.00 H new ATOM 0 HH21 ARG A 4 31.771 41.542 21.370 1.00 0.00 H new ATOM 0 HH22 ARG A 4 30.915 42.264 20.003 1.00 0.00 H new ATOM 74 N LEU A 5 28.784 36.368 25.979 1.00 0.00 N ATOM 75 CA LEU A 5 29.965 35.545 26.203 1.00 0.00 C ATOM 76 C LEU A 5 30.634 35.268 24.858 1.00 0.00 C ATOM 77 O LEU A 5 29.972 34.797 23.935 1.00 0.00 O ATOM 78 CB LEU A 5 29.500 34.265 26.912 1.00 0.00 C ATOM 79 CG LEU A 5 30.542 33.213 27.321 1.00 0.00 C ATOM 80 CD1 LEU A 5 31.085 32.358 26.177 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.708 33.812 28.102 1.00 0.00 C ATOM 0 H LEU A 5 28.180 35.988 25.250 1.00 0.00 H new ATOM 0 HA LEU A 5 30.706 36.039 26.831 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.966 34.565 27.813 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.776 33.774 26.261 1.00 0.00 H new ATOM 0 HG LEU A 5 29.974 32.546 27.969 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.813 31.647 26.568 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.265 31.816 25.707 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.566 33.000 25.439 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.413 33.023 28.365 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.211 34.559 27.488 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.334 34.282 29.011 1.00 0.00 H new ATOM 93 N PHE A 6 31.932 35.545 24.766 1.00 0.00 N ATOM 94 CA PHE A 6 32.764 35.321 23.584 1.00 0.00 C ATOM 95 C PHE A 6 33.677 34.092 23.742 1.00 0.00 C ATOM 96 O PHE A 6 34.282 33.900 24.801 1.00 0.00 O ATOM 97 CB PHE A 6 33.585 36.593 23.332 1.00 0.00 C ATOM 98 CG PHE A 6 34.675 36.423 22.293 1.00 0.00 C ATOM 99 CD1 PHE A 6 34.337 36.036 20.984 1.00 0.00 C ATOM 100 CD2 PHE A 6 36.025 36.616 22.638 1.00 0.00 C ATOM 101 CE1 PHE A 6 35.338 35.870 20.016 1.00 0.00 C ATOM 102 CE2 PHE A 6 37.028 36.441 21.669 1.00 0.00 C ATOM 103 CZ PHE A 6 36.685 36.066 20.358 1.00 0.00 C ATOM 0 H PHE A 6 32.455 35.948 25.543 1.00 0.00 H new ATOM 0 HA PHE A 6 32.123 35.111 22.728 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.913 37.390 23.013 1.00 0.00 H new ATOM 0 HB3 PHE A 6 34.038 36.914 24.270 1.00 0.00 H new ATOM 0 HD1 PHE A 6 33.303 35.866 20.723 1.00 0.00 H new ATOM 0 HD2 PHE A 6 36.290 36.898 23.646 1.00 0.00 H new ATOM 0 HE1 PHE A 6 35.072 35.591 19.007 1.00 0.00 H new ATOM 0 HE2 PHE A 6 38.064 36.595 21.932 1.00 0.00 H new ATOM 0 HZ PHE A 6 37.457 35.929 19.615 1.00 0.00 H new ATOM 113 N ILE A 7 33.810 33.293 22.675 1.00 0.00 N ATOM 114 CA ILE A 7 34.758 32.171 22.568 1.00 0.00 C ATOM 115 C ILE A 7 36.028 32.615 21.822 1.00 0.00 C ATOM 116 O ILE A 7 36.081 32.603 20.592 1.00 0.00 O ATOM 117 CB ILE A 7 34.081 30.952 21.893 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.782 30.500 22.598 1.00 0.00 C ATOM 119 CG2 ILE A 7 35.049 29.759 21.800 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.935 30.138 24.077 1.00 0.00 C ATOM 0 H ILE A 7 33.244 33.412 21.835 1.00 0.00 H new ATOM 0 HA ILE A 7 35.059 31.860 23.568 1.00 0.00 H new ATOM 0 HB ILE A 7 33.810 31.290 20.893 1.00 0.00 H new ATOM 0 HG12 ILE A 7 32.044 31.297 22.510 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.382 29.635 22.068 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.546 28.919 21.322 1.00 0.00 H new ATOM 0 HG22 ILE A 7 35.921 30.043 21.211 1.00 0.00 H new ATOM 0 HG23 ILE A 7 35.367 29.469 22.802 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.968 29.834 24.479 1.00 0.00 H new ATOM 0 HD12 ILE A 7 33.645 29.317 24.179 1.00 0.00 H new ATOM 0 HD13 ILE A 7 33.301 31.005 24.628 1.00 0.00 H new ATOM 132 N GLY A 8 37.075 32.964 22.571 1.00 0.00 N ATOM 133 CA GLY A 8 38.362 33.413 22.029 1.00 0.00 C ATOM 134 C GLY A 8 39.274 32.297 21.521 1.00 0.00 C ATOM 135 O GLY A 8 40.120 32.553 20.664 1.00 0.00 O ATOM 0 H GLY A 8 37.054 32.943 23.591 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.172 34.107 21.210 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.891 33.970 22.803 1.00 0.00 H new ATOM 139 N ASN A 9 39.095 31.061 22.001 1.00 0.00 N ATOM 140 CA ASN A 9 39.962 29.896 21.751 1.00 0.00 C ATOM 141 C ASN A 9 39.869 29.289 20.329 1.00 0.00 C ATOM 142 O ASN A 9 39.553 28.109 20.154 1.00 0.00 O ATOM 143 CB ASN A 9 39.755 28.866 22.877 1.00 0.00 C ATOM 144 CG ASN A 9 38.308 28.506 23.127 1.00 0.00 C ATOM 145 OD1 ASN A 9 37.718 28.947 24.096 1.00 0.00 O ATOM 146 ND2 ASN A 9 37.693 27.733 22.266 1.00 0.00 N ATOM 0 H ASN A 9 38.305 30.831 22.604 1.00 0.00 H new ATOM 0 HA ASN A 9 40.992 30.251 21.774 1.00 0.00 H new ATOM 0 HB2 ASN A 9 40.306 27.959 22.630 1.00 0.00 H new ATOM 0 HB3 ASN A 9 40.185 29.260 23.798 1.00 0.00 H new ATOM 0 HD21 ASN A 9 36.711 27.496 22.405 1.00 0.00 H new ATOM 0 HD22 ASN A 9 38.197 27.369 21.457 1.00 0.00 H new ATOM 153 N LEU A 10 40.146 30.109 19.312 1.00 0.00 N ATOM 154 CA LEU A 10 40.260 29.758 17.892 1.00 0.00 C ATOM 155 C LEU A 10 39.106 28.855 17.376 1.00 0.00 C ATOM 156 O LEU A 10 39.366 27.784 16.819 1.00 0.00 O ATOM 157 CB LEU A 10 41.676 29.203 17.598 1.00 0.00 C ATOM 158 CG LEU A 10 42.827 30.232 17.623 1.00 0.00 C ATOM 159 CD1 LEU A 10 43.168 30.777 19.012 1.00 0.00 C ATOM 160 CD2 LEU A 10 44.096 29.590 17.063 1.00 0.00 C ATOM 0 H LEU A 10 40.308 31.104 19.468 1.00 0.00 H new ATOM 0 HA LEU A 10 40.138 30.672 17.310 1.00 0.00 H new ATOM 0 HB2 LEU A 10 41.897 28.423 18.327 1.00 0.00 H new ATOM 0 HB3 LEU A 10 41.662 28.728 16.617 1.00 0.00 H new ATOM 0 HG LEU A 10 42.474 31.069 17.021 1.00 0.00 H new ATOM 0 HD11 LEU A 10 43.987 31.492 18.931 1.00 0.00 H new ATOM 0 HD12 LEU A 10 42.293 31.273 19.433 1.00 0.00 H new ATOM 0 HD13 LEU A 10 43.467 29.955 19.662 1.00 0.00 H new ATOM 0 HD21 LEU A 10 44.909 30.316 17.080 1.00 0.00 H new ATOM 0 HD22 LEU A 10 44.367 28.727 17.672 1.00 0.00 H new ATOM 0 HD23 LEU A 10 43.919 29.268 16.037 1.00 0.00 H new ATOM 172 N PRO A 11 37.824 29.256 17.519 1.00 0.00 N ATOM 173 CA PRO A 11 36.651 28.490 17.050 1.00 0.00 C ATOM 174 C PRO A 11 36.490 28.411 15.513 1.00 0.00 C ATOM 175 O PRO A 11 35.513 27.852 15.023 1.00 0.00 O ATOM 176 CB PRO A 11 35.450 29.187 17.701 1.00 0.00 C ATOM 177 CG PRO A 11 35.913 30.637 17.783 1.00 0.00 C ATOM 178 CD PRO A 11 37.383 30.499 18.144 1.00 0.00 C ATOM 0 HA PRO A 11 36.757 27.443 17.335 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.546 29.083 17.100 1.00 0.00 H new ATOM 0 HB3 PRO A 11 35.227 28.776 18.686 1.00 0.00 H new ATOM 0 HG2 PRO A 11 35.776 31.160 16.836 1.00 0.00 H new ATOM 0 HG3 PRO A 11 35.361 31.196 18.539 1.00 0.00 H new ATOM 0 HD2 PRO A 11 37.959 31.349 17.777 1.00 0.00 H new ATOM 0 HD3 PRO A 11 37.520 30.465 19.225 1.00 0.00 H new ATOM 186 N LEU A 12 37.446 28.947 14.748 1.00 0.00 N ATOM 187 CA LEU A 12 37.402 29.159 13.295 1.00 0.00 C ATOM 188 C LEU A 12 37.411 27.887 12.420 1.00 0.00 C ATOM 189 O LEU A 12 37.424 28.010 11.190 1.00 0.00 O ATOM 190 CB LEU A 12 38.591 30.081 12.941 1.00 0.00 C ATOM 191 CG LEU A 12 38.366 31.550 13.340 1.00 0.00 C ATOM 192 CD1 LEU A 12 39.698 32.285 13.439 1.00 0.00 C ATOM 193 CD2 LEU A 12 37.512 32.274 12.297 1.00 0.00 C ATOM 0 H LEU A 12 38.327 29.265 15.151 1.00 0.00 H new ATOM 0 HA LEU A 12 36.435 29.605 13.063 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.488 29.711 13.437 1.00 0.00 H new ATOM 0 HB3 LEU A 12 38.775 30.028 11.868 1.00 0.00 H new ATOM 0 HG LEU A 12 37.858 31.549 14.304 1.00 0.00 H new ATOM 0 HD11 LEU A 12 39.521 33.323 13.722 1.00 0.00 H new ATOM 0 HD12 LEU A 12 40.323 31.805 14.192 1.00 0.00 H new ATOM 0 HD13 LEU A 12 40.204 32.253 12.474 1.00 0.00 H new ATOM 0 HD21 LEU A 12 37.367 33.311 12.601 1.00 0.00 H new ATOM 0 HD22 LEU A 12 38.017 32.247 11.331 1.00 0.00 H new ATOM 0 HD23 LEU A 12 36.543 31.781 12.214 1.00 0.00 H new ATOM 205 N LYS A 13 37.434 26.679 13.000 1.00 0.00 N ATOM 206 CA LYS A 13 37.577 25.413 12.253 1.00 0.00 C ATOM 207 C LYS A 13 36.702 24.261 12.756 1.00 0.00 C ATOM 208 O LYS A 13 36.320 23.394 11.967 1.00 0.00 O ATOM 209 CB LYS A 13 39.065 25.037 12.270 1.00 0.00 C ATOM 210 CG LYS A 13 39.410 24.067 11.133 1.00 0.00 C ATOM 211 CD LYS A 13 40.916 23.812 11.074 1.00 0.00 C ATOM 212 CE LYS A 13 41.384 22.912 12.220 1.00 0.00 C ATOM 213 NZ LYS A 13 42.855 22.770 12.201 1.00 0.00 N ATOM 0 H LYS A 13 37.354 26.548 14.008 1.00 0.00 H new ATOM 0 HA LYS A 13 37.215 25.581 11.239 1.00 0.00 H new ATOM 0 HB2 LYS A 13 39.671 25.938 12.178 1.00 0.00 H new ATOM 0 HB3 LYS A 13 39.316 24.581 13.228 1.00 0.00 H new ATOM 0 HG2 LYS A 13 38.883 23.125 11.281 1.00 0.00 H new ATOM 0 HG3 LYS A 13 39.069 24.478 10.183 1.00 0.00 H new ATOM 0 HD2 LYS A 13 41.169 23.348 10.121 1.00 0.00 H new ATOM 0 HD3 LYS A 13 41.448 24.762 11.117 1.00 0.00 H new ATOM 0 HE2 LYS A 13 41.066 23.333 13.174 1.00 0.00 H new ATOM 0 HE3 LYS A 13 40.917 21.931 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 43.155 22.156 12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 43.151 22.348 11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 43.296 23.706 12.306 1.00 0.00 H new ATOM 227 N ASN A 14 36.370 24.230 14.042 1.00 0.00 N ATOM 228 CA ASN A 14 35.524 23.213 14.662 1.00 0.00 C ATOM 229 C ASN A 14 34.765 23.813 15.856 1.00 0.00 C ATOM 230 O ASN A 14 35.310 23.925 16.954 1.00 0.00 O ATOM 231 CB ASN A 14 36.412 22.033 15.099 1.00 0.00 C ATOM 232 CG ASN A 14 35.609 20.911 15.731 1.00 0.00 C ATOM 233 OD1 ASN A 14 34.429 20.717 15.463 1.00 0.00 O ATOM 234 ND2 ASN A 14 36.214 20.133 16.589 1.00 0.00 N ATOM 0 H ASN A 14 36.692 24.935 14.705 1.00 0.00 H new ATOM 0 HA ASN A 14 34.782 22.854 13.949 1.00 0.00 H new ATOM 0 HB2 ASN A 14 36.952 21.648 14.234 1.00 0.00 H new ATOM 0 HB3 ASN A 14 37.159 22.387 15.809 1.00 0.00 H new ATOM 0 HD21 ASN A 14 35.704 19.369 17.032 1.00 0.00 H new ATOM 0 HD22 ASN A 14 37.196 20.290 16.816 1.00 0.00 H new ATOM 241 N VAL A 15 33.501 24.183 15.655 1.00 0.00 N ATOM 242 CA VAL A 15 32.618 24.665 16.725 1.00 0.00 C ATOM 243 C VAL A 15 31.150 24.412 16.368 1.00 0.00 C ATOM 244 O VAL A 15 30.775 24.425 15.194 1.00 0.00 O ATOM 245 CB VAL A 15 32.902 26.154 17.031 1.00 0.00 C ATOM 246 CG1 VAL A 15 32.426 27.103 15.922 1.00 0.00 C ATOM 247 CG2 VAL A 15 32.319 26.568 18.389 1.00 0.00 C ATOM 0 H VAL A 15 33.054 24.158 14.739 1.00 0.00 H new ATOM 0 HA VAL A 15 32.825 24.105 17.637 1.00 0.00 H new ATOM 0 HB VAL A 15 33.987 26.247 17.075 1.00 0.00 H new ATOM 0 HG11 VAL A 15 32.656 28.132 16.200 1.00 0.00 H new ATOM 0 HG12 VAL A 15 32.934 26.857 14.990 1.00 0.00 H new ATOM 0 HG13 VAL A 15 31.350 26.995 15.788 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.537 27.620 18.573 1.00 0.00 H new ATOM 0 HG22 VAL A 15 31.240 26.416 18.383 1.00 0.00 H new ATOM 0 HG23 VAL A 15 32.766 25.962 19.177 1.00 0.00 H new ATOM 257 N SER A 16 30.308 24.195 17.374 1.00 0.00 N ATOM 258 CA SER A 16 28.852 24.090 17.236 1.00 0.00 C ATOM 259 C SER A 16 28.139 24.657 18.467 1.00 0.00 C ATOM 260 O SER A 16 28.745 24.834 19.527 1.00 0.00 O ATOM 261 CB SER A 16 28.474 22.627 16.994 1.00 0.00 C ATOM 262 OG SER A 16 27.068 22.488 16.928 1.00 0.00 O ATOM 0 H SER A 16 30.625 24.084 18.337 1.00 0.00 H new ATOM 0 HA SER A 16 28.528 24.684 16.381 1.00 0.00 H new ATOM 0 HB2 SER A 16 28.925 22.277 16.066 1.00 0.00 H new ATOM 0 HB3 SER A 16 28.871 22.004 17.796 1.00 0.00 H new ATOM 0 HG SER A 16 26.839 21.548 16.771 1.00 0.00 H new ATOM 268 N LYS A 17 26.832 24.928 18.363 1.00 0.00 N ATOM 269 CA LYS A 17 26.005 25.397 19.488 1.00 0.00 C ATOM 270 C LYS A 17 26.010 24.418 20.667 1.00 0.00 C ATOM 271 O LYS A 17 25.958 24.855 21.808 1.00 0.00 O ATOM 272 CB LYS A 17 24.580 25.719 19.011 1.00 0.00 C ATOM 273 CG LYS A 17 23.796 24.478 18.560 1.00 0.00 C ATOM 274 CD LYS A 17 22.478 24.887 17.894 1.00 0.00 C ATOM 275 CE LYS A 17 21.627 23.681 17.490 1.00 0.00 C ATOM 276 NZ LYS A 17 22.338 22.780 16.560 1.00 0.00 N ATOM 0 H LYS A 17 26.313 24.828 17.491 1.00 0.00 H new ATOM 0 HA LYS A 17 26.451 26.318 19.863 1.00 0.00 H new ATOM 0 HB2 LYS A 17 24.036 26.210 19.818 1.00 0.00 H new ATOM 0 HB3 LYS A 17 24.632 26.428 18.184 1.00 0.00 H new ATOM 0 HG2 LYS A 17 24.397 23.895 17.862 1.00 0.00 H new ATOM 0 HG3 LYS A 17 23.593 23.837 19.418 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.909 25.516 18.578 1.00 0.00 H new ATOM 0 HD3 LYS A 17 22.692 25.489 17.011 1.00 0.00 H new ATOM 0 HE2 LYS A 17 21.341 23.125 18.383 1.00 0.00 H new ATOM 0 HE3 LYS A 17 20.706 24.029 17.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.685 22.044 16.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.693 23.327 15.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.138 22.333 17.053 1.00 0.00 H new ATOM 290 N GLU A 18 26.170 23.119 20.416 1.00 0.00 N ATOM 291 CA GLU A 18 26.336 22.106 21.471 1.00 0.00 C ATOM 292 C GLU A 18 27.678 22.199 22.223 1.00 0.00 C ATOM 293 O GLU A 18 27.794 21.695 23.337 1.00 0.00 O ATOM 294 CB GLU A 18 26.131 20.706 20.882 1.00 0.00 C ATOM 295 CG GLU A 18 27.226 20.314 19.885 1.00 0.00 C ATOM 296 CD GLU A 18 26.822 19.074 19.097 1.00 0.00 C ATOM 297 OE1 GLU A 18 26.058 19.217 18.110 1.00 0.00 O ATOM 298 OE2 GLU A 18 27.286 17.960 19.445 1.00 0.00 O ATOM 0 H GLU A 18 26.189 22.733 19.472 1.00 0.00 H new ATOM 0 HA GLU A 18 25.572 22.308 22.222 1.00 0.00 H new ATOM 0 HB2 GLU A 18 26.105 19.977 21.692 1.00 0.00 H new ATOM 0 HB3 GLU A 18 25.162 20.665 20.385 1.00 0.00 H new ATOM 0 HG2 GLU A 18 27.413 21.141 19.200 1.00 0.00 H new ATOM 0 HG3 GLU A 18 28.158 20.124 20.418 1.00 0.00 H new ATOM 305 N ASP A 19 28.693 22.865 21.661 1.00 0.00 N ATOM 306 CA ASP A 19 29.922 23.190 22.391 1.00 0.00 C ATOM 307 C ASP A 19 29.679 24.385 23.317 1.00 0.00 C ATOM 308 O ASP A 19 29.964 24.308 24.507 1.00 0.00 O ATOM 309 CB ASP A 19 31.090 23.461 21.430 1.00 0.00 C ATOM 310 CG ASP A 19 31.384 22.289 20.496 1.00 0.00 C ATOM 311 OD1 ASP A 19 31.306 21.113 20.927 1.00 0.00 O ATOM 312 OD2 ASP A 19 31.750 22.523 19.323 1.00 0.00 O ATOM 0 H ASP A 19 28.686 23.191 20.695 1.00 0.00 H new ATOM 0 HA ASP A 19 30.200 22.329 22.999 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.864 24.345 20.834 1.00 0.00 H new ATOM 0 HB3 ASP A 19 31.984 23.688 22.010 1.00 0.00 H new ATOM 317 N LEU A 20 29.052 25.451 22.810 1.00 0.00 N ATOM 318 CA LEU A 20 28.631 26.611 23.612 1.00 0.00 C ATOM 319 C LEU A 20 27.718 26.178 24.774 1.00 0.00 C ATOM 320 O LEU A 20 27.896 26.635 25.901 1.00 0.00 O ATOM 321 CB LEU A 20 27.910 27.628 22.698 1.00 0.00 C ATOM 322 CG LEU A 20 28.789 28.610 21.905 1.00 0.00 C ATOM 323 CD1 LEU A 20 29.369 29.689 22.814 1.00 0.00 C ATOM 324 CD2 LEU A 20 29.926 27.922 21.148 1.00 0.00 C ATOM 0 H LEU A 20 28.819 25.537 21.821 1.00 0.00 H new ATOM 0 HA LEU A 20 29.513 27.080 24.047 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.301 27.070 21.987 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.226 28.210 23.315 1.00 0.00 H new ATOM 0 HG LEU A 20 28.128 29.066 21.167 1.00 0.00 H new ATOM 0 HD11 LEU A 20 29.986 30.368 22.225 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.557 30.248 23.280 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.979 29.223 23.588 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.509 28.669 20.609 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.571 27.400 21.855 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.510 27.206 20.439 1.00 0.00 H new ATOM 336 N PHE A 21 26.795 25.251 24.511 1.00 0.00 N ATOM 337 CA PHE A 21 25.855 24.692 25.479 1.00 0.00 C ATOM 338 C PHE A 21 26.539 23.815 26.539 1.00 0.00 C ATOM 339 O PHE A 21 26.221 23.938 27.725 1.00 0.00 O ATOM 340 CB PHE A 21 24.810 23.894 24.690 1.00 0.00 C ATOM 341 CG PHE A 21 23.627 23.390 25.486 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.751 22.239 26.287 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.383 24.039 25.380 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.639 21.743 26.986 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.267 23.526 26.060 1.00 0.00 C ATOM 346 CZ PHE A 21 21.395 22.381 26.865 1.00 0.00 C ATOM 0 H PHE A 21 26.679 24.854 23.579 1.00 0.00 H new ATOM 0 HA PHE A 21 25.388 25.504 26.037 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.438 24.521 23.880 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.305 23.039 24.230 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.704 21.736 26.364 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.287 24.930 24.777 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.741 20.872 27.616 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.308 24.013 25.964 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.536 21.992 27.391 1.00 0.00 H new ATOM 356 N ARG A 22 27.492 22.943 26.155 1.00 0.00 N ATOM 357 CA ARG A 22 28.260 22.146 27.133 1.00 0.00 C ATOM 358 C ARG A 22 29.176 23.035 27.970 1.00 0.00 C ATOM 359 O ARG A 22 29.380 22.759 29.151 1.00 0.00 O ATOM 360 CB ARG A 22 28.969 20.940 26.467 1.00 0.00 C ATOM 361 CG ARG A 22 30.419 21.135 25.973 1.00 0.00 C ATOM 362 CD ARG A 22 31.448 20.969 27.104 1.00 0.00 C ATOM 363 NE ARG A 22 32.815 21.318 26.687 1.00 0.00 N ATOM 364 CZ ARG A 22 33.768 21.871 27.416 1.00 0.00 C ATOM 365 NH1 ARG A 22 33.614 22.241 28.657 1.00 0.00 N ATOM 366 NH2 ARG A 22 34.928 22.060 26.875 1.00 0.00 N ATOM 0 H ARG A 22 27.747 22.773 25.182 1.00 0.00 H new ATOM 0 HA ARG A 22 27.561 21.699 27.840 1.00 0.00 H new ATOM 0 HB2 ARG A 22 28.967 20.116 27.180 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.365 20.626 25.615 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.631 20.415 25.183 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.521 22.128 25.535 1.00 0.00 H new ATOM 0 HD2 ARG A 22 31.159 21.597 27.947 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.432 19.937 27.455 1.00 0.00 H new ATOM 0 HE ARG A 22 33.056 21.108 25.718 1.00 0.00 H new ATOM 0 HH11 ARG A 22 32.715 22.109 29.121 1.00 0.00 H new ATOM 0 HH12 ARG A 22 34.392 22.663 29.164 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.090 21.784 25.907 1.00 0.00 H new ATOM 0 HH22 ARG A 22 35.680 22.485 27.417 1.00 0.00 H new ATOM 380 N ILE A 23 29.721 24.098 27.371 1.00 0.00 N ATOM 381 CA ILE A 23 30.525 25.120 28.043 1.00 0.00 C ATOM 382 C ILE A 23 29.650 25.830 29.084 1.00 0.00 C ATOM 383 O ILE A 23 29.848 25.591 30.279 1.00 0.00 O ATOM 384 CB ILE A 23 31.203 26.048 26.997 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.360 25.281 26.313 1.00 0.00 C ATOM 386 CG2 ILE A 23 31.733 27.366 27.593 1.00 0.00 C ATOM 387 CD1 ILE A 23 32.861 25.931 25.013 1.00 0.00 C ATOM 0 H ILE A 23 29.610 24.275 26.373 1.00 0.00 H new ATOM 0 HA ILE A 23 31.356 24.680 28.595 1.00 0.00 H new ATOM 0 HB ILE A 23 30.436 26.326 26.274 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.193 25.202 27.012 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.030 24.265 26.095 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.193 27.963 26.805 1.00 0.00 H new ATOM 0 HG22 ILE A 23 30.907 27.923 28.035 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.474 27.146 28.361 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.671 25.333 24.596 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.043 25.985 24.295 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.224 26.936 25.225 1.00 0.00 H new ATOM 399 N PHE A 24 28.672 26.644 28.666 1.00 0.00 N ATOM 400 CA PHE A 24 27.770 27.398 29.547 1.00 0.00 C ATOM 401 C PHE A 24 26.296 27.080 29.237 1.00 0.00 C ATOM 402 O PHE A 24 25.746 27.495 28.220 1.00 0.00 O ATOM 403 CB PHE A 24 27.976 28.923 29.412 1.00 0.00 C ATOM 404 CG PHE A 24 29.220 29.608 29.959 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.379 28.910 30.353 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.222 31.014 30.029 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.548 29.598 30.698 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.384 31.704 30.414 1.00 0.00 C ATOM 409 CZ PHE A 24 31.559 30.995 30.695 1.00 0.00 C ATOM 0 H PHE A 24 28.481 26.801 27.676 1.00 0.00 H new ATOM 0 HA PHE A 24 28.011 27.092 30.565 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.927 29.156 28.348 1.00 0.00 H new ATOM 0 HB3 PHE A 24 27.117 29.402 29.883 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.365 27.831 30.389 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.326 31.565 29.786 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.439 29.050 30.966 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.371 32.781 30.493 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.473 31.528 30.909 1.00 0.00 H new ATOM 419 N SER A 25 25.624 26.425 30.180 1.00 0.00 N ATOM 420 CA SER A 25 24.157 26.396 30.350 1.00 0.00 C ATOM 421 C SER A 25 23.712 25.963 31.768 1.00 0.00 C ATOM 422 O SER A 25 22.641 26.398 32.190 1.00 0.00 O ATOM 423 CB SER A 25 23.466 25.531 29.284 1.00 0.00 C ATOM 424 OG SER A 25 23.392 26.255 28.066 1.00 0.00 O ATOM 0 H SER A 25 26.104 25.869 30.887 1.00 0.00 H new ATOM 0 HA SER A 25 23.836 27.429 30.215 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.021 24.604 29.136 1.00 0.00 H new ATOM 0 HB3 SER A 25 22.466 25.254 29.617 1.00 0.00 H new ATOM 0 HG SER A 25 24.278 26.609 27.841 1.00 0.00 H new ATOM 430 N PRO A 26 24.519 25.243 32.583 1.00 0.00 N ATOM 431 CA PRO A 26 24.206 24.979 33.999 1.00 0.00 C ATOM 432 C PRO A 26 24.363 26.170 34.971 1.00 0.00 C ATOM 433 O PRO A 26 24.441 25.957 36.183 1.00 0.00 O ATOM 434 CB PRO A 26 25.097 23.801 34.418 1.00 0.00 C ATOM 435 CG PRO A 26 25.459 23.122 33.101 1.00 0.00 C ATOM 436 CD PRO A 26 25.559 24.312 32.159 1.00 0.00 C ATOM 0 HA PRO A 26 23.140 24.761 34.069 1.00 0.00 H new ATOM 0 HB2 PRO A 26 25.986 24.142 34.948 1.00 0.00 H new ATOM 0 HB3 PRO A 26 24.570 23.120 35.086 1.00 0.00 H new ATOM 0 HG2 PRO A 26 26.398 22.573 33.168 1.00 0.00 H new ATOM 0 HG3 PRO A 26 24.696 22.411 32.783 1.00 0.00 H new ATOM 0 HD2 PRO A 26 26.545 24.774 32.216 1.00 0.00 H new ATOM 0 HD3 PRO A 26 25.410 24.005 31.124 1.00 0.00 H new ATOM 444 N TYR A 27 24.441 27.410 34.476 1.00 0.00 N ATOM 445 CA TYR A 27 24.751 28.619 35.258 1.00 0.00 C ATOM 446 C TYR A 27 23.788 29.763 34.913 1.00 0.00 C ATOM 447 O TYR A 27 23.273 29.809 33.799 1.00 0.00 O ATOM 448 CB TYR A 27 26.189 29.084 34.969 1.00 0.00 C ATOM 449 CG TYR A 27 27.265 28.014 34.943 1.00 0.00 C ATOM 450 CD1 TYR A 27 27.948 27.664 36.122 1.00 0.00 C ATOM 451 CD2 TYR A 27 27.636 27.434 33.713 1.00 0.00 C ATOM 452 CE1 TYR A 27 29.017 26.747 36.070 1.00 0.00 C ATOM 453 CE2 TYR A 27 28.697 26.512 33.658 1.00 0.00 C ATOM 454 CZ TYR A 27 29.398 26.180 34.836 1.00 0.00 C ATOM 455 OH TYR A 27 30.430 25.301 34.788 1.00 0.00 O ATOM 0 H TYR A 27 24.286 27.610 33.488 1.00 0.00 H new ATOM 0 HA TYR A 27 24.643 28.366 36.313 1.00 0.00 H new ATOM 0 HB2 TYR A 27 26.194 29.593 34.005 1.00 0.00 H new ATOM 0 HB3 TYR A 27 26.464 29.823 35.721 1.00 0.00 H new ATOM 0 HD1 TYR A 27 27.653 28.098 37.066 1.00 0.00 H new ATOM 0 HD2 TYR A 27 27.104 27.698 32.811 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.544 26.479 36.974 1.00 0.00 H new ATOM 0 HE2 TYR A 27 28.974 26.060 32.717 1.00 0.00 H new ATOM 0 HH TYR A 27 31.096 25.541 35.465 1.00 0.00 H new ATOM 465 N GLY A 28 23.580 30.711 35.826 1.00 0.00 N ATOM 466 CA GLY A 28 22.852 31.962 35.571 1.00 0.00 C ATOM 467 C GLY A 28 21.371 31.792 35.224 1.00 0.00 C ATOM 468 O GLY A 28 20.788 30.723 35.409 1.00 0.00 O ATOM 0 H GLY A 28 23.918 30.633 36.785 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.932 32.597 36.453 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.343 32.490 34.753 1.00 0.00 H new ATOM 472 N HIS A 29 20.754 32.853 34.700 1.00 0.00 N ATOM 473 CA HIS A 29 19.328 32.859 34.348 1.00 0.00 C ATOM 474 C HIS A 29 19.060 32.434 32.903 1.00 0.00 C ATOM 475 O HIS A 29 17.938 32.019 32.619 1.00 0.00 O ATOM 476 CB HIS A 29 18.710 34.228 34.657 1.00 0.00 C ATOM 477 CG HIS A 29 18.474 34.476 36.121 1.00 0.00 C ATOM 478 ND1 HIS A 29 19.470 34.528 37.096 1.00 0.00 N ATOM 479 CD2 HIS A 29 17.268 34.706 36.712 1.00 0.00 C ATOM 480 CE1 HIS A 29 18.849 34.823 38.247 1.00 0.00 C ATOM 481 NE2 HIS A 29 17.528 34.927 38.046 1.00 0.00 N ATOM 0 H HIS A 29 21.228 33.735 34.506 1.00 0.00 H new ATOM 0 HA HIS A 29 18.844 32.105 34.969 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.365 35.007 34.268 1.00 0.00 H new ATOM 0 HB3 HIS A 29 17.762 34.315 34.127 1.00 0.00 H new ATOM 0 HD2 HIS A 29 16.301 34.713 36.230 1.00 0.00 H new ATOM 0 HE1 HIS A 29 19.342 34.957 39.199 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.832 35.135 38.762 1.00 0.00 H new ATOM 489 N ILE A 30 20.072 32.459 32.023 1.00 0.00 N ATOM 490 CA ILE A 30 19.985 32.087 30.594 1.00 0.00 C ATOM 491 C ILE A 30 19.067 33.031 29.784 1.00 0.00 C ATOM 492 O ILE A 30 18.178 33.680 30.332 1.00 0.00 O ATOM 493 CB ILE A 30 19.617 30.583 30.424 1.00 0.00 C ATOM 494 CG1 ILE A 30 20.438 29.615 31.310 1.00 0.00 C ATOM 495 CG2 ILE A 30 19.742 30.130 28.963 1.00 0.00 C ATOM 496 CD1 ILE A 30 21.935 29.577 30.992 1.00 0.00 C ATOM 0 H ILE A 30 21.012 32.749 32.293 1.00 0.00 H new ATOM 0 HA ILE A 30 20.978 32.220 30.165 1.00 0.00 H new ATOM 0 HB ILE A 30 18.580 30.528 30.755 1.00 0.00 H new ATOM 0 HG12 ILE A 30 20.309 29.900 32.354 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.031 28.610 31.201 1.00 0.00 H new ATOM 0 HG21 ILE A 30 19.477 29.076 28.885 1.00 0.00 H new ATOM 0 HG22 ILE A 30 19.070 30.720 28.340 1.00 0.00 H new ATOM 0 HG23 ILE A 30 20.768 30.272 28.625 1.00 0.00 H new ATOM 0 HD11 ILE A 30 22.431 28.873 31.660 1.00 0.00 H new ATOM 0 HD12 ILE A 30 22.080 29.260 29.959 1.00 0.00 H new ATOM 0 HD13 ILE A 30 22.362 30.571 31.130 1.00 0.00 H new ATOM 508 N MET A 31 19.302 33.144 28.471 1.00 0.00 N ATOM 509 CA MET A 31 18.370 33.807 27.543 1.00 0.00 C ATOM 510 C MET A 31 18.493 33.272 26.102 1.00 0.00 C ATOM 511 O MET A 31 17.514 32.766 25.550 1.00 0.00 O ATOM 512 CB MET A 31 18.553 35.339 27.626 1.00 0.00 C ATOM 513 CG MET A 31 17.547 36.139 26.791 1.00 0.00 C ATOM 514 SD MET A 31 15.788 35.836 27.124 1.00 0.00 S ATOM 515 CE MET A 31 15.692 36.128 28.913 1.00 0.00 C ATOM 0 H MET A 31 20.141 32.780 28.020 1.00 0.00 H new ATOM 0 HA MET A 31 17.352 33.569 27.850 1.00 0.00 H new ATOM 0 HB2 MET A 31 18.470 35.647 28.668 1.00 0.00 H new ATOM 0 HB3 MET A 31 19.562 35.591 27.299 1.00 0.00 H new ATOM 0 HG2 MET A 31 17.745 37.200 26.945 1.00 0.00 H new ATOM 0 HG3 MET A 31 17.735 35.929 25.738 1.00 0.00 H new ATOM 0 HE1 MET A 31 14.655 36.046 29.240 1.00 0.00 H new ATOM 0 HE2 MET A 31 16.297 35.387 29.436 1.00 0.00 H new ATOM 0 HE3 MET A 31 16.066 37.126 29.139 1.00 0.00 H new ATOM 525 N GLN A 32 19.677 33.350 25.487 1.00 0.00 N ATOM 526 CA GLN A 32 19.904 33.041 24.070 1.00 0.00 C ATOM 527 C GLN A 32 21.309 32.451 23.798 1.00 0.00 C ATOM 528 O GLN A 32 22.303 32.854 24.402 1.00 0.00 O ATOM 529 CB GLN A 32 19.646 34.342 23.280 1.00 0.00 C ATOM 530 CG GLN A 32 19.959 34.269 21.779 1.00 0.00 C ATOM 531 CD GLN A 32 19.737 35.588 21.041 1.00 0.00 C ATOM 532 OE1 GLN A 32 19.270 36.595 21.568 1.00 0.00 O ATOM 533 NE2 GLN A 32 20.074 35.621 19.776 1.00 0.00 N ATOM 0 H GLN A 32 20.527 33.637 25.973 1.00 0.00 H new ATOM 0 HA GLN A 32 19.220 32.257 23.746 1.00 0.00 H new ATOM 0 HB2 GLN A 32 18.600 34.621 23.403 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.243 35.140 23.721 1.00 0.00 H new ATOM 0 HG2 GLN A 32 20.996 33.959 21.648 1.00 0.00 H new ATOM 0 HG3 GLN A 32 19.336 33.499 21.324 1.00 0.00 H new ATOM 0 HE21 GLN A 32 20.462 34.790 19.330 1.00 0.00 H new ATOM 0 HE22 GLN A 32 19.948 36.478 19.237 1.00 0.00 H new ATOM 542 N ILE A 33 21.410 31.524 22.840 1.00 0.00 N ATOM 543 CA ILE A 33 22.659 30.916 22.345 1.00 0.00 C ATOM 544 C ILE A 33 22.847 31.249 20.856 1.00 0.00 C ATOM 545 O ILE A 33 21.926 31.053 20.058 1.00 0.00 O ATOM 546 CB ILE A 33 22.667 29.402 22.675 1.00 0.00 C ATOM 547 CG1 ILE A 33 24.054 28.772 22.448 1.00 0.00 C ATOM 548 CG2 ILE A 33 21.604 28.589 21.912 1.00 0.00 C ATOM 549 CD1 ILE A 33 24.175 27.387 23.095 1.00 0.00 C ATOM 0 H ILE A 33 20.587 31.157 22.363 1.00 0.00 H new ATOM 0 HA ILE A 33 23.528 31.336 22.852 1.00 0.00 H new ATOM 0 HB ILE A 33 22.413 29.352 23.734 1.00 0.00 H new ATOM 0 HG12 ILE A 33 24.242 28.689 21.378 1.00 0.00 H new ATOM 0 HG13 ILE A 33 24.821 29.430 22.856 1.00 0.00 H new ATOM 0 HG21 ILE A 33 21.674 27.539 22.198 1.00 0.00 H new ATOM 0 HG22 ILE A 33 20.611 28.966 22.158 1.00 0.00 H new ATOM 0 HG23 ILE A 33 21.773 28.685 20.839 1.00 0.00 H new ATOM 0 HD11 ILE A 33 25.170 26.984 22.908 1.00 0.00 H new ATOM 0 HD12 ILE A 33 24.014 27.472 24.170 1.00 0.00 H new ATOM 0 HD13 ILE A 33 23.427 26.719 22.668 1.00 0.00 H new ATOM 561 N ASN A 34 24.005 31.790 20.462 1.00 0.00 N ATOM 562 CA ASN A 34 24.188 32.438 19.155 1.00 0.00 C ATOM 563 C ASN A 34 25.528 32.031 18.513 1.00 0.00 C ATOM 564 O ASN A 34 26.559 32.670 18.700 1.00 0.00 O ATOM 565 CB ASN A 34 24.026 33.958 19.352 1.00 0.00 C ATOM 566 CG ASN A 34 23.916 34.703 18.034 1.00 0.00 C ATOM 567 OD1 ASN A 34 24.827 35.395 17.613 1.00 0.00 O ATOM 568 ND2 ASN A 34 22.797 34.593 17.359 1.00 0.00 N ATOM 0 H ASN A 34 24.845 31.792 21.041 1.00 0.00 H new ATOM 0 HA ASN A 34 23.431 32.105 18.445 1.00 0.00 H new ATOM 0 HB2 ASN A 34 23.136 34.151 19.951 1.00 0.00 H new ATOM 0 HB3 ASN A 34 24.878 34.342 19.913 1.00 0.00 H new ATOM 0 HD21 ASN A 34 22.684 35.089 16.475 1.00 0.00 H new ATOM 0 HD22 ASN A 34 22.040 34.012 17.718 1.00 0.00 H new ATOM 575 N ILE A 35 25.516 30.920 17.774 1.00 0.00 N ATOM 576 CA ILE A 35 26.704 30.347 17.132 1.00 0.00 C ATOM 577 C ILE A 35 26.753 30.713 15.643 1.00 0.00 C ATOM 578 O ILE A 35 25.725 30.690 14.954 1.00 0.00 O ATOM 579 CB ILE A 35 26.793 28.827 17.434 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.175 28.452 18.001 1.00 0.00 C ATOM 581 CG2 ILE A 35 26.380 27.920 16.260 1.00 0.00 C ATOM 582 CD1 ILE A 35 29.355 28.574 17.034 1.00 0.00 C ATOM 0 H ILE A 35 24.666 30.383 17.601 1.00 0.00 H new ATOM 0 HA ILE A 35 27.607 30.786 17.556 1.00 0.00 H new ATOM 0 HB ILE A 35 26.045 28.635 18.204 1.00 0.00 H new ATOM 0 HG12 ILE A 35 28.374 29.084 18.866 1.00 0.00 H new ATOM 0 HG13 ILE A 35 28.131 27.424 18.361 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.472 26.875 16.557 1.00 0.00 H new ATOM 0 HG22 ILE A 35 25.346 28.129 15.985 1.00 0.00 H new ATOM 0 HG23 ILE A 35 27.029 28.113 15.406 1.00 0.00 H new ATOM 0 HD11 ILE A 35 30.274 28.284 17.543 1.00 0.00 H new ATOM 0 HD12 ILE A 35 29.193 27.919 16.178 1.00 0.00 H new ATOM 0 HD13 ILE A 35 29.440 29.605 16.691 1.00 0.00 H new ATOM 594 N LYS A 36 27.949 31.035 15.147 1.00 0.00 N ATOM 595 CA LYS A 36 28.273 31.359 13.754 1.00 0.00 C ATOM 596 C LYS A 36 29.437 30.476 13.292 1.00 0.00 C ATOM 597 O LYS A 36 30.262 30.067 14.103 1.00 0.00 O ATOM 598 CB LYS A 36 28.604 32.859 13.712 1.00 0.00 C ATOM 599 CG LYS A 36 28.771 33.446 12.307 1.00 0.00 C ATOM 600 CD LYS A 36 29.005 34.952 12.443 1.00 0.00 C ATOM 601 CE LYS A 36 29.035 35.641 11.081 1.00 0.00 C ATOM 602 NZ LYS A 36 29.002 37.107 11.257 1.00 0.00 N ATOM 0 H LYS A 36 28.773 31.080 15.747 1.00 0.00 H new ATOM 0 HA LYS A 36 27.445 31.163 13.072 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.813 33.405 14.226 1.00 0.00 H new ATOM 0 HB3 LYS A 36 29.524 33.029 14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.611 32.975 11.796 1.00 0.00 H new ATOM 0 HG3 LYS A 36 27.883 33.252 11.706 1.00 0.00 H new ATOM 0 HD2 LYS A 36 28.217 35.389 13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 36 29.947 35.129 12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 36 29.934 35.352 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.183 35.319 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 29.023 37.569 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 28.132 37.377 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 29.828 37.409 11.812 1.00 0.00 H new ATOM 616 N ASN A 37 29.555 30.196 11.994 1.00 0.00 N ATOM 617 CA ASN A 37 30.549 29.253 11.450 1.00 0.00 C ATOM 618 C ASN A 37 31.991 29.817 11.371 1.00 0.00 C ATOM 619 O ASN A 37 32.804 29.388 10.549 1.00 0.00 O ATOM 620 CB ASN A 37 30.005 28.666 10.134 1.00 0.00 C ATOM 621 CG ASN A 37 28.695 27.939 10.363 1.00 0.00 C ATOM 622 OD1 ASN A 37 27.620 28.428 10.036 1.00 0.00 O ATOM 623 ND2 ASN A 37 28.727 26.783 10.973 1.00 0.00 N ATOM 0 H ASN A 37 28.961 30.618 11.280 1.00 0.00 H new ATOM 0 HA ASN A 37 30.677 28.433 12.157 1.00 0.00 H new ATOM 0 HB2 ASN A 37 29.859 29.466 9.408 1.00 0.00 H new ATOM 0 HB3 ASN A 37 30.736 27.979 9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 37 27.858 26.289 11.176 1.00 0.00 H new ATOM 0 HD22 ASN A 37 29.621 26.375 11.246 1.00 0.00 H new ATOM 630 N ALA A 38 32.317 30.758 12.258 1.00 0.00 N ATOM 631 CA ALA A 38 33.631 31.370 12.442 1.00 0.00 C ATOM 632 C ALA A 38 33.914 31.656 13.929 1.00 0.00 C ATOM 633 O ALA A 38 35.010 31.375 14.404 1.00 0.00 O ATOM 634 CB ALA A 38 33.684 32.658 11.607 1.00 0.00 C ATOM 0 H ALA A 38 31.627 31.136 12.907 1.00 0.00 H new ATOM 0 HA ALA A 38 34.406 30.681 12.106 1.00 0.00 H new ATOM 0 HB1 ALA A 38 34.658 33.132 11.730 1.00 0.00 H new ATOM 0 HB2 ALA A 38 33.528 32.417 10.556 1.00 0.00 H new ATOM 0 HB3 ALA A 38 32.903 33.341 11.942 1.00 0.00 H new ATOM 640 N PHE A 39 32.918 32.155 14.673 1.00 0.00 N ATOM 641 CA PHE A 39 33.016 32.432 16.109 1.00 0.00 C ATOM 642 C PHE A 39 31.765 32.001 16.881 1.00 0.00 C ATOM 643 O PHE A 39 30.640 32.065 16.386 1.00 0.00 O ATOM 644 CB PHE A 39 33.335 33.914 16.352 1.00 0.00 C ATOM 645 CG PHE A 39 34.763 34.290 16.012 1.00 0.00 C ATOM 646 CD1 PHE A 39 35.793 34.058 16.948 1.00 0.00 C ATOM 647 CD2 PHE A 39 35.076 34.847 14.758 1.00 0.00 C ATOM 648 CE1 PHE A 39 37.121 34.399 16.641 1.00 0.00 C ATOM 649 CE2 PHE A 39 36.404 35.185 14.451 1.00 0.00 C ATOM 650 CZ PHE A 39 37.426 34.967 15.393 1.00 0.00 C ATOM 0 H PHE A 39 32.003 32.382 14.283 1.00 0.00 H new ATOM 0 HA PHE A 39 33.838 31.830 16.495 1.00 0.00 H new ATOM 0 HB2 PHE A 39 32.656 34.526 15.758 1.00 0.00 H new ATOM 0 HB3 PHE A 39 33.145 34.151 17.399 1.00 0.00 H new ATOM 0 HD1 PHE A 39 35.559 33.616 17.905 1.00 0.00 H new ATOM 0 HD2 PHE A 39 34.295 35.015 14.032 1.00 0.00 H new ATOM 0 HE1 PHE A 39 37.905 34.225 17.363 1.00 0.00 H new ATOM 0 HE2 PHE A 39 36.642 35.614 13.489 1.00 0.00 H new ATOM 0 HZ PHE A 39 38.445 35.236 15.157 1.00 0.00 H new ATOM 660 N GLY A 40 31.977 31.571 18.126 1.00 0.00 N ATOM 661 CA GLY A 40 30.913 31.204 19.054 1.00 0.00 C ATOM 662 C GLY A 40 30.565 32.339 20.010 1.00 0.00 C ATOM 663 O GLY A 40 31.466 32.915 20.620 1.00 0.00 O ATOM 0 H GLY A 40 32.911 31.467 18.522 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.024 30.920 18.491 1.00 0.00 H new ATOM 0 HA3 GLY A 40 31.219 30.329 19.628 1.00 0.00 H new ATOM 667 N PHE A 41 29.267 32.608 20.177 1.00 0.00 N ATOM 668 CA PHE A 41 28.746 33.527 21.184 1.00 0.00 C ATOM 669 C PHE A 41 27.586 32.922 21.991 1.00 0.00 C ATOM 670 O PHE A 41 26.838 32.044 21.548 1.00 0.00 O ATOM 671 CB PHE A 41 28.349 34.871 20.545 1.00 0.00 C ATOM 672 CG PHE A 41 29.505 35.825 20.305 1.00 0.00 C ATOM 673 CD1 PHE A 41 30.339 35.667 19.183 1.00 0.00 C ATOM 674 CD2 PHE A 41 29.739 36.888 21.201 1.00 0.00 C ATOM 675 CE1 PHE A 41 31.391 36.571 18.955 1.00 0.00 C ATOM 676 CE2 PHE A 41 30.781 37.801 20.958 1.00 0.00 C ATOM 677 CZ PHE A 41 31.596 37.654 19.824 1.00 0.00 C ATOM 0 H PHE A 41 28.538 32.183 19.604 1.00 0.00 H new ATOM 0 HA PHE A 41 29.551 33.712 21.896 1.00 0.00 H new ATOM 0 HB2 PHE A 41 27.855 34.674 19.594 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.618 35.362 21.188 1.00 0.00 H new ATOM 0 HD1 PHE A 41 30.171 34.851 18.496 1.00 0.00 H new ATOM 0 HD2 PHE A 41 29.117 37.002 22.076 1.00 0.00 H new ATOM 0 HE1 PHE A 41 32.045 36.432 18.107 1.00 0.00 H new ATOM 0 HE2 PHE A 41 30.955 38.616 21.645 1.00 0.00 H new ATOM 0 HZ PHE A 41 32.377 38.371 19.621 1.00 0.00 H new ATOM 687 N ILE A 42 27.421 33.441 23.203 1.00 0.00 N ATOM 688 CA ILE A 42 26.255 33.251 24.071 1.00 0.00 C ATOM 689 C ILE A 42 25.725 34.632 24.477 1.00 0.00 C ATOM 690 O ILE A 42 26.476 35.604 24.467 1.00 0.00 O ATOM 691 CB ILE A 42 26.627 32.290 25.232 1.00 0.00 C ATOM 692 CG1 ILE A 42 26.060 30.895 24.906 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.174 32.770 26.622 1.00 0.00 C ATOM 694 CD1 ILE A 42 26.584 29.767 25.801 1.00 0.00 C ATOM 0 H ILE A 42 28.130 34.036 23.632 1.00 0.00 H new ATOM 0 HA ILE A 42 25.426 32.757 23.565 1.00 0.00 H new ATOM 0 HB ILE A 42 27.714 32.259 25.300 1.00 0.00 H new ATOM 0 HG12 ILE A 42 24.974 30.931 24.988 1.00 0.00 H new ATOM 0 HG13 ILE A 42 26.294 30.656 23.869 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.474 32.041 27.374 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.637 33.731 26.844 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.089 32.879 26.634 1.00 0.00 H new ATOM 0 HD11 ILE A 42 26.131 28.823 25.499 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.667 29.698 25.702 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.327 29.977 26.839 1.00 0.00 H new ATOM 706 N GLN A 43 24.432 34.731 24.779 1.00 0.00 N ATOM 707 CA GLN A 43 23.692 35.970 25.040 1.00 0.00 C ATOM 708 C GLN A 43 22.711 35.705 26.197 1.00 0.00 C ATOM 709 O GLN A 43 21.557 35.360 25.963 1.00 0.00 O ATOM 710 CB GLN A 43 22.950 36.361 23.739 1.00 0.00 C ATOM 711 CG GLN A 43 23.842 36.878 22.594 1.00 0.00 C ATOM 712 CD GLN A 43 24.390 38.283 22.819 1.00 0.00 C ATOM 713 OE1 GLN A 43 24.062 38.977 23.776 1.00 0.00 O ATOM 714 NE2 GLN A 43 25.233 38.765 21.932 1.00 0.00 N ATOM 0 H GLN A 43 23.838 33.905 24.853 1.00 0.00 H new ATOM 0 HA GLN A 43 24.349 36.791 25.327 1.00 0.00 H new ATOM 0 HB2 GLN A 43 22.398 35.492 23.381 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.215 37.129 23.978 1.00 0.00 H new ATOM 0 HG2 GLN A 43 24.677 36.191 22.460 1.00 0.00 H new ATOM 0 HG3 GLN A 43 23.268 36.867 21.667 1.00 0.00 H new ATOM 0 HE21 GLN A 43 25.512 38.197 21.133 1.00 0.00 H new ATOM 0 HE22 GLN A 43 25.607 39.707 22.044 1.00 0.00 H new ATOM 723 N PHE A 44 23.175 35.734 27.450 1.00 0.00 N ATOM 724 CA PHE A 44 22.428 35.233 28.618 1.00 0.00 C ATOM 725 C PHE A 44 21.981 36.335 29.587 1.00 0.00 C ATOM 726 O PHE A 44 22.464 37.459 29.556 1.00 0.00 O ATOM 727 CB PHE A 44 23.265 34.163 29.349 1.00 0.00 C ATOM 728 CG PHE A 44 23.363 32.774 28.732 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.644 32.392 27.578 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.196 31.829 29.361 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.768 31.091 27.059 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.314 30.527 28.844 1.00 0.00 C ATOM 733 CZ PHE A 44 23.598 30.155 27.695 1.00 0.00 C ATOM 0 H PHE A 44 24.092 36.110 27.690 1.00 0.00 H new ATOM 0 HA PHE A 44 21.508 34.790 28.238 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.278 34.551 29.457 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.857 34.052 30.354 1.00 0.00 H new ATOM 0 HD1 PHE A 44 21.994 33.104 27.091 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.748 32.106 30.247 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.223 30.812 26.169 1.00 0.00 H new ATOM 0 HE2 PHE A 44 24.958 29.810 29.332 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.686 29.153 27.302 1.00 0.00 H new ATOM 743 N ASP A 45 21.066 35.980 30.491 1.00 0.00 N ATOM 744 CA ASP A 45 20.725 36.779 31.668 1.00 0.00 C ATOM 745 C ASP A 45 21.512 36.280 32.907 1.00 0.00 C ATOM 746 O ASP A 45 21.866 35.099 32.996 1.00 0.00 O ATOM 747 CB ASP A 45 19.193 36.768 31.831 1.00 0.00 C ATOM 748 CG ASP A 45 18.639 37.913 32.684 1.00 0.00 C ATOM 749 OD1 ASP A 45 19.409 38.598 33.394 1.00 0.00 O ATOM 750 OD2 ASP A 45 17.415 38.174 32.619 1.00 0.00 O ATOM 0 H ASP A 45 20.532 35.114 30.424 1.00 0.00 H new ATOM 0 HA ASP A 45 21.027 37.820 31.549 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.734 36.812 30.843 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.894 35.820 32.279 1.00 0.00 H new ATOM 755 N ASN A 46 21.747 37.177 33.871 1.00 0.00 N ATOM 756 CA ASN A 46 22.668 37.084 35.016 1.00 0.00 C ATOM 757 C ASN A 46 24.181 37.062 34.651 1.00 0.00 C ATOM 758 O ASN A 46 24.797 35.989 34.612 1.00 0.00 O ATOM 759 CB ASN A 46 22.238 35.954 35.968 1.00 0.00 C ATOM 760 CG ASN A 46 23.029 35.923 37.262 1.00 0.00 C ATOM 761 OD1 ASN A 46 23.900 36.744 37.506 1.00 0.00 O ATOM 762 ND2 ASN A 46 22.753 34.988 38.136 1.00 0.00 N ATOM 0 H ASN A 46 21.253 38.070 33.872 1.00 0.00 H new ATOM 0 HA ASN A 46 22.576 38.026 35.557 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.179 36.068 36.201 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.351 34.997 35.459 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.265 34.947 39.017 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.026 34.301 37.935 1.00 0.00 H new ATOM 769 N PRO A 47 24.826 38.240 34.479 1.00 0.00 N ATOM 770 CA PRO A 47 26.258 38.346 34.180 1.00 0.00 C ATOM 771 C PRO A 47 27.151 37.805 35.296 1.00 0.00 C ATOM 772 O PRO A 47 28.215 37.267 34.997 1.00 0.00 O ATOM 773 CB PRO A 47 26.555 39.833 33.976 1.00 0.00 C ATOM 774 CG PRO A 47 25.416 40.548 34.694 1.00 0.00 C ATOM 775 CD PRO A 47 24.248 39.568 34.617 1.00 0.00 C ATOM 0 HA PRO A 47 26.476 37.745 33.297 1.00 0.00 H new ATOM 0 HB2 PRO A 47 27.523 40.106 34.396 1.00 0.00 H new ATOM 0 HB3 PRO A 47 26.582 40.091 32.917 1.00 0.00 H new ATOM 0 HG2 PRO A 47 25.677 40.775 35.728 1.00 0.00 H new ATOM 0 HG3 PRO A 47 25.174 41.495 34.211 1.00 0.00 H new ATOM 0 HD2 PRO A 47 23.631 39.630 35.513 1.00 0.00 H new ATOM 0 HD3 PRO A 47 23.603 39.800 33.769 1.00 0.00 H new ATOM 783 N GLN A 48 26.714 37.882 36.561 1.00 0.00 N ATOM 784 CA GLN A 48 27.469 37.360 37.703 1.00 0.00 C ATOM 785 C GLN A 48 27.836 35.892 37.490 1.00 0.00 C ATOM 786 O GLN A 48 28.967 35.489 37.765 1.00 0.00 O ATOM 787 CB GLN A 48 26.636 37.496 38.986 1.00 0.00 C ATOM 788 CG GLN A 48 27.494 37.278 40.232 1.00 0.00 C ATOM 789 CD GLN A 48 26.708 37.301 41.536 1.00 0.00 C ATOM 790 OE1 GLN A 48 25.488 37.186 41.583 1.00 0.00 O ATOM 791 NE2 GLN A 48 27.396 37.397 42.644 1.00 0.00 N ATOM 0 H GLN A 48 25.825 38.310 36.819 1.00 0.00 H new ATOM 0 HA GLN A 48 28.387 37.939 37.797 1.00 0.00 H new ATOM 0 HB2 GLN A 48 26.182 38.486 39.024 1.00 0.00 H new ATOM 0 HB3 GLN A 48 25.822 36.772 38.972 1.00 0.00 H new ATOM 0 HG2 GLN A 48 28.006 36.320 40.145 1.00 0.00 H new ATOM 0 HG3 GLN A 48 28.264 38.049 40.270 1.00 0.00 H new ATOM 0 HE21 GLN A 48 28.411 37.493 42.607 1.00 0.00 H new ATOM 0 HE22 GLN A 48 26.918 37.376 43.545 1.00 0.00 H new ATOM 800 N SER A 49 26.895 35.113 36.956 1.00 0.00 N ATOM 801 CA SER A 49 27.079 33.693 36.668 1.00 0.00 C ATOM 802 C SER A 49 27.675 33.399 35.293 1.00 0.00 C ATOM 803 O SER A 49 28.330 32.370 35.153 1.00 0.00 O ATOM 804 CB SER A 49 25.766 32.959 36.837 1.00 0.00 C ATOM 805 OG SER A 49 25.471 32.851 38.212 1.00 0.00 O ATOM 0 H SER A 49 25.968 35.458 36.708 1.00 0.00 H new ATOM 0 HA SER A 49 27.814 33.334 37.389 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.968 33.493 36.322 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.828 31.968 36.387 1.00 0.00 H new ATOM 0 HG SER A 49 24.621 32.378 38.328 1.00 0.00 H new ATOM 811 N VAL A 50 27.546 34.296 34.307 1.00 0.00 N ATOM 812 CA VAL A 50 28.374 34.227 33.084 1.00 0.00 C ATOM 813 C VAL A 50 29.854 34.359 33.471 1.00 0.00 C ATOM 814 O VAL A 50 30.670 33.529 33.076 1.00 0.00 O ATOM 815 CB VAL A 50 27.954 35.287 32.039 1.00 0.00 C ATOM 816 CG1 VAL A 50 28.803 35.214 30.763 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.497 35.091 31.596 1.00 0.00 C ATOM 0 H VAL A 50 26.885 35.073 34.326 1.00 0.00 H new ATOM 0 HA VAL A 50 28.218 33.260 32.607 1.00 0.00 H new ATOM 0 HB VAL A 50 28.092 36.248 32.535 1.00 0.00 H new ATOM 0 HG11 VAL A 50 28.470 35.978 30.060 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.850 35.383 31.013 1.00 0.00 H new ATOM 0 HG13 VAL A 50 28.693 34.230 30.308 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.234 35.852 30.862 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.382 34.103 31.151 1.00 0.00 H new ATOM 0 HG23 VAL A 50 25.839 35.179 32.461 1.00 0.00 H new ATOM 827 N ARG A 51 30.199 35.319 34.338 1.00 0.00 N ATOM 828 CA ARG A 51 31.543 35.456 34.920 1.00 0.00 C ATOM 829 C ARG A 51 31.920 34.278 35.825 1.00 0.00 C ATOM 830 O ARG A 51 33.037 33.780 35.708 1.00 0.00 O ATOM 831 CB ARG A 51 31.647 36.817 35.633 1.00 0.00 C ATOM 832 CG ARG A 51 32.896 36.979 36.513 1.00 0.00 C ATOM 833 CD ARG A 51 34.243 36.799 35.795 1.00 0.00 C ATOM 834 NE ARG A 51 35.245 36.264 36.730 1.00 0.00 N ATOM 835 CZ ARG A 51 36.543 36.472 36.762 1.00 0.00 C ATOM 836 NH1 ARG A 51 37.184 37.114 35.833 1.00 0.00 N ATOM 837 NH2 ARG A 51 37.208 35.998 37.771 1.00 0.00 N ATOM 0 H ARG A 51 29.545 36.032 34.660 1.00 0.00 H new ATOM 0 HA ARG A 51 32.277 35.429 34.115 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.641 37.608 34.883 1.00 0.00 H new ATOM 0 HB3 ARG A 51 30.761 36.958 36.252 1.00 0.00 H new ATOM 0 HG2 ARG A 51 32.875 37.971 36.963 1.00 0.00 H new ATOM 0 HG3 ARG A 51 32.840 36.258 37.328 1.00 0.00 H new ATOM 0 HD2 ARG A 51 34.126 36.122 34.949 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.581 37.755 35.394 1.00 0.00 H new ATOM 0 HE ARG A 51 34.882 35.645 37.455 1.00 0.00 H new ATOM 0 HH11 ARG A 51 36.679 37.485 35.028 1.00 0.00 H new ATOM 0 HH12 ARG A 51 38.193 37.247 35.908 1.00 0.00 H new ATOM 0 HH21 ARG A 51 36.722 35.483 38.506 1.00 0.00 H new ATOM 0 HH22 ARG A 51 38.216 36.140 37.829 1.00 0.00 H new ATOM 851 N ASP A 52 31.017 33.790 36.679 1.00 0.00 N ATOM 852 CA ASP A 52 31.298 32.623 37.531 1.00 0.00 C ATOM 853 C ASP A 52 31.615 31.364 36.706 1.00 0.00 C ATOM 854 O ASP A 52 32.461 30.555 37.094 1.00 0.00 O ATOM 855 CB ASP A 52 30.135 32.339 38.493 1.00 0.00 C ATOM 856 CG ASP A 52 30.539 31.332 39.571 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.655 31.460 40.125 1.00 0.00 O ATOM 858 OD2 ASP A 52 29.790 30.365 39.848 1.00 0.00 O ATOM 0 H ASP A 52 30.084 34.182 36.802 1.00 0.00 H new ATOM 0 HA ASP A 52 32.184 32.874 38.114 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.814 33.269 38.963 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.283 31.953 37.933 1.00 0.00 H new ATOM 863 N ALA A 53 30.985 31.226 35.539 1.00 0.00 N ATOM 864 CA ALA A 53 31.266 30.166 34.584 1.00 0.00 C ATOM 865 C ALA A 53 32.588 30.391 33.820 1.00 0.00 C ATOM 866 O ALA A 53 33.297 29.416 33.567 1.00 0.00 O ATOM 867 CB ALA A 53 30.046 30.021 33.677 1.00 0.00 C ATOM 0 H ALA A 53 30.251 31.863 35.230 1.00 0.00 H new ATOM 0 HA ALA A 53 31.430 29.223 35.106 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.227 29.231 32.948 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.173 29.767 34.279 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.866 30.961 33.156 1.00 0.00 H new ATOM 873 N ILE A 54 33.005 31.638 33.536 1.00 0.00 N ATOM 874 CA ILE A 54 34.355 31.933 32.999 1.00 0.00 C ATOM 875 C ILE A 54 35.414 31.413 33.968 1.00 0.00 C ATOM 876 O ILE A 54 36.265 30.618 33.572 1.00 0.00 O ATOM 877 CB ILE A 54 34.576 33.438 32.694 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.701 33.875 31.503 1.00 0.00 C ATOM 879 CG2 ILE A 54 36.056 33.752 32.386 1.00 0.00 C ATOM 880 CD1 ILE A 54 33.699 35.376 31.224 1.00 0.00 C ATOM 0 H ILE A 54 32.425 32.466 33.669 1.00 0.00 H new ATOM 0 HA ILE A 54 34.444 31.418 32.042 1.00 0.00 H new ATOM 0 HB ILE A 54 34.290 33.994 33.587 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.044 33.354 30.609 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.676 33.553 31.686 1.00 0.00 H new ATOM 0 HG21 ILE A 54 36.167 34.816 32.178 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.671 33.484 33.245 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.377 33.177 31.517 1.00 0.00 H new ATOM 0 HD11 ILE A 54 33.056 35.586 30.369 1.00 0.00 H new ATOM 0 HD12 ILE A 54 33.325 35.908 32.099 1.00 0.00 H new ATOM 0 HD13 ILE A 54 34.714 35.707 31.004 1.00 0.00 H new ATOM 892 N GLU A 55 35.336 31.784 35.245 1.00 0.00 N ATOM 893 CA GLU A 55 36.286 31.295 36.251 1.00 0.00 C ATOM 894 C GLU A 55 36.076 29.811 36.621 1.00 0.00 C ATOM 895 O GLU A 55 36.951 29.211 37.237 1.00 0.00 O ATOM 896 CB GLU A 55 36.337 32.243 37.460 1.00 0.00 C ATOM 897 CG GLU A 55 35.023 32.279 38.238 1.00 0.00 C ATOM 898 CD GLU A 55 35.006 33.377 39.299 1.00 0.00 C ATOM 899 OE1 GLU A 55 35.079 34.575 38.948 1.00 0.00 O ATOM 900 OE2 GLU A 55 34.914 33.054 40.506 1.00 0.00 O ATOM 0 H GLU A 55 34.627 32.420 35.610 1.00 0.00 H new ATOM 0 HA GLU A 55 37.278 31.310 35.800 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.141 31.931 38.127 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.579 33.249 37.117 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.197 32.435 37.544 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.860 31.313 38.716 1.00 0.00 H new ATOM 907 N CYS A 56 34.974 29.175 36.201 1.00 0.00 N ATOM 908 CA CYS A 56 34.780 27.726 36.323 1.00 0.00 C ATOM 909 C CYS A 56 35.310 26.926 35.115 1.00 0.00 C ATOM 910 O CYS A 56 35.562 25.731 35.251 1.00 0.00 O ATOM 911 CB CYS A 56 33.288 27.431 36.545 1.00 0.00 C ATOM 912 SG CYS A 56 33.092 25.739 37.170 1.00 0.00 S ATOM 0 H CYS A 56 34.188 29.656 35.764 1.00 0.00 H new ATOM 0 HA CYS A 56 35.368 27.397 37.180 1.00 0.00 H new ATOM 0 HB2 CYS A 56 32.867 28.143 37.255 1.00 0.00 H new ATOM 0 HB3 CYS A 56 32.740 27.551 35.611 1.00 0.00 H new ATOM 0 HG CYS A 56 34.041 24.988 36.695 1.00 0.00 H new ATOM 918 N GLU A 57 35.441 27.526 33.927 1.00 0.00 N ATOM 919 CA GLU A 57 35.644 26.786 32.667 1.00 0.00 C ATOM 920 C GLU A 57 36.834 27.282 31.830 1.00 0.00 C ATOM 921 O GLU A 57 37.553 26.463 31.256 1.00 0.00 O ATOM 922 CB GLU A 57 34.337 26.846 31.859 1.00 0.00 C ATOM 923 CG GLU A 57 34.271 25.864 30.680 1.00 0.00 C ATOM 924 CD GLU A 57 34.342 24.403 31.131 1.00 0.00 C ATOM 925 OE1 GLU A 57 33.576 24.003 32.039 1.00 0.00 O ATOM 926 OE2 GLU A 57 35.191 23.634 30.624 1.00 0.00 O ATOM 0 H GLU A 57 35.410 28.538 33.807 1.00 0.00 H new ATOM 0 HA GLU A 57 35.898 25.758 32.924 1.00 0.00 H new ATOM 0 HB2 GLU A 57 33.501 26.646 32.529 1.00 0.00 H new ATOM 0 HB3 GLU A 57 34.206 27.859 31.479 1.00 0.00 H new ATOM 0 HG2 GLU A 57 33.345 26.026 30.127 1.00 0.00 H new ATOM 0 HG3 GLU A 57 35.092 26.070 29.993 1.00 0.00 H new ATOM 933 N SER A 58 37.080 28.597 31.799 1.00 0.00 N ATOM 934 CA SER A 58 38.212 29.225 31.095 1.00 0.00 C ATOM 935 C SER A 58 39.543 29.073 31.835 1.00 0.00 C ATOM 936 O SER A 58 40.593 29.363 31.272 1.00 0.00 O ATOM 937 CB SER A 58 37.952 30.725 30.924 1.00 0.00 C ATOM 938 OG SER A 58 38.754 31.272 29.894 1.00 0.00 O ATOM 0 H SER A 58 36.484 29.274 32.274 1.00 0.00 H new ATOM 0 HA SER A 58 38.289 28.713 30.136 1.00 0.00 H new ATOM 0 HB2 SER A 58 36.899 30.890 30.694 1.00 0.00 H new ATOM 0 HB3 SER A 58 38.158 31.241 31.862 1.00 0.00 H new ATOM 0 HG SER A 58 39.675 30.952 29.992 1.00 0.00 H new ATOM 944 N GLN A 59 39.506 28.661 33.100 1.00 0.00 N ATOM 945 CA GLN A 59 40.692 28.432 33.918 1.00 0.00 C ATOM 946 C GLN A 59 41.441 27.161 33.504 1.00 0.00 C ATOM 947 O GLN A 59 40.958 26.355 32.706 1.00 0.00 O ATOM 948 CB GLN A 59 40.269 28.387 35.396 1.00 0.00 C ATOM 949 CG GLN A 59 39.776 29.751 35.897 1.00 0.00 C ATOM 950 CD GLN A 59 40.863 30.811 35.847 1.00 0.00 C ATOM 951 OE1 GLN A 59 40.849 31.730 35.042 1.00 0.00 O ATOM 952 NE2 GLN A 59 41.875 30.698 36.667 1.00 0.00 N ATOM 0 H GLN A 59 38.633 28.474 33.594 1.00 0.00 H new ATOM 0 HA GLN A 59 41.393 29.253 33.766 1.00 0.00 H new ATOM 0 HB2 GLN A 59 39.479 27.647 35.524 1.00 0.00 H new ATOM 0 HB3 GLN A 59 41.113 28.061 36.004 1.00 0.00 H new ATOM 0 HG2 GLN A 59 38.929 30.074 35.291 1.00 0.00 H new ATOM 0 HG3 GLN A 59 39.416 29.651 36.921 1.00 0.00 H new ATOM 0 HE21 GLN A 59 41.900 29.936 37.344 1.00 0.00 H new ATOM 0 HE22 GLN A 59 42.640 31.372 36.629 1.00 0.00 H new ATOM 1097 N ILE A 68 39.306 29.967 26.370 1.00 0.00 N ATOM 1098 CA ILE A 68 39.520 31.411 26.538 1.00 0.00 C ATOM 1099 C ILE A 68 38.176 32.099 26.334 1.00 0.00 C ATOM 1100 O ILE A 68 37.681 32.201 25.212 1.00 0.00 O ATOM 1101 CB ILE A 68 40.639 31.954 25.619 1.00 0.00 C ATOM 1102 CG1 ILE A 68 42.020 31.372 26.008 1.00 0.00 C ATOM 1103 CG2 ILE A 68 40.720 33.487 25.733 1.00 0.00 C ATOM 1104 CD1 ILE A 68 42.368 30.061 25.298 1.00 0.00 C ATOM 0 HA ILE A 68 39.883 31.626 27.543 1.00 0.00 H new ATOM 0 HB ILE A 68 40.394 31.656 24.600 1.00 0.00 H new ATOM 0 HG12 ILE A 68 42.790 32.110 25.783 1.00 0.00 H new ATOM 0 HG13 ILE A 68 42.042 31.206 27.085 1.00 0.00 H new ATOM 0 HG21 ILE A 68 41.511 33.859 25.082 1.00 0.00 H new ATOM 0 HG22 ILE A 68 39.768 33.925 25.434 1.00 0.00 H new ATOM 0 HG23 ILE A 68 40.939 33.764 26.764 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.350 29.720 25.625 1.00 0.00 H new ATOM 0 HD12 ILE A 68 41.621 29.305 25.543 1.00 0.00 H new ATOM 0 HD13 ILE A 68 42.381 30.223 24.220 1.00 0.00 H new ATOM 1116 N LEU A 69 37.579 32.518 27.447 1.00 0.00 N ATOM 1117 CA LEU A 69 36.204 33.000 27.539 1.00 0.00 C ATOM 1118 C LEU A 69 36.173 34.433 28.098 1.00 0.00 C ATOM 1119 O LEU A 69 36.918 34.758 29.034 1.00 0.00 O ATOM 1120 CB LEU A 69 35.381 32.029 28.412 1.00 0.00 C ATOM 1121 CG LEU A 69 35.525 30.520 28.110 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.693 29.698 29.094 1.00 0.00 C ATOM 1123 CD2 LEU A 69 35.030 30.156 26.716 1.00 0.00 C ATOM 0 H LEU A 69 38.060 32.531 28.346 1.00 0.00 H new ATOM 0 HA LEU A 69 35.758 33.032 26.545 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.656 32.194 29.454 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.328 32.295 28.315 1.00 0.00 H new ATOM 0 HG LEU A 69 36.589 30.299 28.194 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.805 28.638 28.868 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.036 29.891 30.110 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.643 29.979 29.006 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.153 29.085 26.554 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.976 30.418 26.624 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.606 30.704 25.971 1.00 0.00 H new ATOM 1135 N GLU A 70 35.298 35.283 27.557 1.00 0.00 N ATOM 1136 CA GLU A 70 35.135 36.676 28.001 1.00 0.00 C ATOM 1137 C GLU A 70 33.670 37.125 28.059 1.00 0.00 C ATOM 1138 O GLU A 70 32.888 36.792 27.173 1.00 0.00 O ATOM 1139 CB GLU A 70 35.966 37.611 27.105 1.00 0.00 C ATOM 1140 CG GLU A 70 35.930 39.090 27.529 1.00 0.00 C ATOM 1141 CD GLU A 70 36.578 39.329 28.894 1.00 0.00 C ATOM 1142 OE1 GLU A 70 36.041 38.850 29.920 1.00 0.00 O ATOM 1143 OE2 GLU A 70 37.649 39.978 28.954 1.00 0.00 O ATOM 0 H GLU A 70 34.675 35.025 26.791 1.00 0.00 H new ATOM 0 HA GLU A 70 35.504 36.732 29.025 1.00 0.00 H new ATOM 0 HB2 GLU A 70 37.001 37.270 27.105 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.604 37.530 26.080 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.442 39.692 26.778 1.00 0.00 H new ATOM 0 HG3 GLU A 70 34.895 39.430 27.558 1.00 0.00 H new ATOM 1150 N VAL A 71 33.315 37.902 29.091 1.00 0.00 N ATOM 1151 CA VAL A 71 31.971 38.471 29.302 1.00 0.00 C ATOM 1152 C VAL A 71 31.918 39.937 28.867 1.00 0.00 C ATOM 1153 O VAL A 71 32.864 40.702 29.080 1.00 0.00 O ATOM 1154 CB VAL A 71 31.470 38.252 30.746 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.383 38.879 31.806 1.00 0.00 C ATOM 1156 CG2 VAL A 71 30.039 38.759 30.969 1.00 0.00 C ATOM 0 H VAL A 71 33.973 38.162 29.826 1.00 0.00 H new ATOM 0 HA VAL A 71 31.275 37.929 28.662 1.00 0.00 H new ATOM 0 HB VAL A 71 31.485 37.169 30.867 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.973 38.688 32.798 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.378 38.441 31.734 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.447 39.954 31.641 1.00 0.00 H new ATOM 0 HG21 VAL A 71 29.745 38.576 32.003 1.00 0.00 H new ATOM 0 HG22 VAL A 71 29.996 39.828 30.763 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.358 38.233 30.300 1.00 0.00 H new ATOM 1166 N SER A 72 30.808 40.337 28.246 1.00 0.00 N ATOM 1167 CA SER A 72 30.618 41.665 27.652 1.00 0.00 C ATOM 1168 C SER A 72 29.137 42.065 27.624 1.00 0.00 C ATOM 1169 O SER A 72 28.249 41.212 27.595 1.00 0.00 O ATOM 1170 CB SER A 72 31.266 41.639 26.261 1.00 0.00 C ATOM 1171 OG SER A 72 30.949 42.748 25.446 1.00 0.00 O ATOM 0 H SER A 72 29.994 39.732 28.138 1.00 0.00 H new ATOM 0 HA SER A 72 31.099 42.434 28.256 1.00 0.00 H new ATOM 0 HB2 SER A 72 32.348 41.589 26.379 1.00 0.00 H new ATOM 0 HB3 SER A 72 30.959 40.728 25.748 1.00 0.00 H new ATOM 0 HG SER A 72 31.400 42.658 24.581 1.00 0.00 H new ATOM 1177 N SER A 73 28.866 43.370 27.632 1.00 0.00 N ATOM 1178 CA SER A 73 27.522 43.955 27.478 1.00 0.00 C ATOM 1179 C SER A 73 27.388 44.757 26.177 1.00 0.00 C ATOM 1180 O SER A 73 26.418 45.497 25.987 1.00 0.00 O ATOM 1181 CB SER A 73 27.171 44.831 28.682 1.00 0.00 C ATOM 1182 OG SER A 73 27.258 44.095 29.884 1.00 0.00 O ATOM 0 H SER A 73 29.593 44.076 27.749 1.00 0.00 H new ATOM 0 HA SER A 73 26.816 43.126 27.426 1.00 0.00 H new ATOM 0 HB2 SER A 73 27.847 45.685 28.724 1.00 0.00 H new ATOM 0 HB3 SER A 73 26.162 45.228 28.566 1.00 0.00 H new ATOM 0 HG SER A 73 27.031 44.676 30.640 1.00 0.00 H new