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= -1.3 X(o=-2.5,f=-2.1) USER MOD Set 1.2: A 46 ASN : amide:sc= -1.24 X(o=-2.5,f=-2.1) USER MOD Set 1.3: A 49 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 27 TYR OH : rot -178:sc= 0.831 USER MOD Set 2.2: A 56 CYS SG : rot -19:sc= 0.709 USER MOD Single : A 2 LYS NZ :NH3+ 178:sc= 0.224 (180deg=0.22) USER MOD Single : A 3 SER OG : rot 72:sc= 0.367 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.058 K(o=-0.058,f=-0.74) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 176:sc= 1.93 USER MOD Single : A 31 MET CE :methyl 170:sc= -1.56 (180deg=-2.02) USER MOD Single : A 32 GLN : amide:sc= -0.0165 X(o=-0.017,f=-0.036) 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= -0.108 K(o=-0.11,f=-0.72) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.7!) USER MOD Single : A 58 SER OG : rot -97:sc= 1.28 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) 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 19.217 42.131 32.864 1.00 0.00 N ATOM 2 CA PRO A 1 20.683 42.335 32.809 1.00 0.00 C ATOM 3 C PRO A 1 21.342 41.566 31.640 1.00 0.00 C ATOM 4 O PRO A 1 21.937 40.498 31.833 1.00 0.00 O ATOM 5 CB PRO A 1 21.231 41.985 34.212 1.00 0.00 C ATOM 6 CG PRO A 1 20.003 41.589 35.043 1.00 0.00 C ATOM 7 CD PRO A 1 18.863 42.251 34.284 1.00 0.00 C ATOM 0 H2 PRO A 1 18.959 41.215 32.496 1.00 0.00 H new ATOM 0 H3 PRO A 1 18.727 42.827 32.302 1.00 0.00 H new ATOM 0 HA PRO A 1 20.935 43.371 32.582 1.00 0.00 H new ATOM 0 HB2 PRO A 1 21.950 41.168 34.160 1.00 0.00 H new ATOM 0 HB3 PRO A 1 21.747 42.836 34.656 1.00 0.00 H new ATOM 0 HG2 PRO A 1 19.881 40.507 35.096 1.00 0.00 H new ATOM 0 HG3 PRO A 1 20.073 41.952 36.068 1.00 0.00 H new ATOM 0 HD2 PRO A 1 17.913 41.759 34.495 1.00 0.00 H new ATOM 0 HD3 PRO A 1 18.753 43.296 34.574 1.00 0.00 H new ATOM 17 N LYS A 2 21.225 42.090 30.408 1.00 0.00 N ATOM 18 CA LYS A 2 21.655 41.416 29.165 1.00 0.00 C ATOM 19 C LYS A 2 23.184 41.315 29.111 1.00 0.00 C ATOM 20 O LYS A 2 23.874 42.332 29.200 1.00 0.00 O ATOM 21 CB LYS A 2 21.136 42.145 27.903 1.00 0.00 C ATOM 22 CG LYS A 2 19.672 42.626 27.856 1.00 0.00 C ATOM 23 CD LYS A 2 18.580 41.549 27.914 1.00 0.00 C ATOM 24 CE LYS A 2 18.515 40.893 29.294 1.00 0.00 C ATOM 25 NZ LYS A 2 17.160 40.447 29.669 1.00 0.00 N ATOM 0 H LYS A 2 20.821 43.012 30.242 1.00 0.00 H new ATOM 0 HA LYS A 2 21.224 40.415 29.177 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.772 43.016 27.743 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.289 41.479 27.054 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.515 43.312 28.688 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.534 43.199 26.939 1.00 0.00 H new ATOM 0 HD2 LYS A 2 17.614 41.995 27.676 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.776 40.789 27.157 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.189 40.037 29.313 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.876 41.600 30.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.192 39.982 30.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 16.524 41.269 29.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.806 39.775 28.958 1.00 0.00 H new ATOM 39 N SER A 3 23.707 40.099 28.975 1.00 0.00 N ATOM 40 CA SER A 3 25.140 39.809 29.089 1.00 0.00 C ATOM 41 C SER A 3 25.584 38.829 28.006 1.00 0.00 C ATOM 42 O SER A 3 25.173 37.668 28.016 1.00 0.00 O ATOM 43 CB SER A 3 25.423 39.219 30.477 1.00 0.00 C ATOM 44 OG SER A 3 24.890 40.060 31.484 1.00 0.00 O ATOM 0 H SER A 3 23.142 39.273 28.780 1.00 0.00 H new ATOM 0 HA SER A 3 25.701 40.735 28.958 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.984 38.224 30.554 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.498 39.105 30.619 1.00 0.00 H new ATOM 0 HG SER A 3 23.912 39.990 31.485 1.00 0.00 H new ATOM 50 N ARG A 4 26.441 39.263 27.076 1.00 0.00 N ATOM 51 CA ARG A 4 26.982 38.379 26.037 1.00 0.00 C ATOM 52 C ARG A 4 28.313 37.756 26.436 1.00 0.00 C ATOM 53 O ARG A 4 29.156 38.401 27.052 1.00 0.00 O ATOM 54 CB ARG A 4 26.960 39.016 24.640 1.00 0.00 C ATOM 55 CG ARG A 4 28.052 40.056 24.375 1.00 0.00 C ATOM 56 CD ARG A 4 27.976 40.447 22.896 1.00 0.00 C ATOM 57 NE ARG A 4 29.077 41.347 22.515 1.00 0.00 N ATOM 58 CZ ARG A 4 28.980 42.527 21.940 1.00 0.00 C ATOM 59 NH1 ARG A 4 27.842 43.093 21.654 1.00 0.00 N ATOM 60 NH2 ARG A 4 30.075 43.147 21.636 1.00 0.00 N ATOM 0 H ARG A 4 26.776 40.225 27.021 1.00 0.00 H new ATOM 0 HA ARG A 4 26.299 37.534 25.953 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.048 38.224 23.897 1.00 0.00 H new ATOM 0 HB3 ARG A 4 25.989 39.487 24.489 1.00 0.00 H new ATOM 0 HG2 ARG A 4 27.909 40.931 25.009 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.034 39.648 24.612 1.00 0.00 H new ATOM 0 HD2 ARG A 4 28.010 39.549 22.280 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.022 40.934 22.697 1.00 0.00 H new ATOM 0 HE ARG A 4 30.021 41.019 22.720 1.00 0.00 H new ATOM 0 HH11 ARG A 4 26.967 42.619 21.876 1.00 0.00 H new ATOM 0 HH12 ARG A 4 27.826 44.010 21.208 1.00 0.00 H new ATOM 0 HH21 ARG A 4 30.978 42.719 21.843 1.00 0.00 H new ATOM 0 HH22 ARG A 4 30.035 44.063 21.189 1.00 0.00 H new ATOM 74 N LEU A 5 28.476 36.494 26.063 1.00 0.00 N ATOM 75 CA LEU A 5 29.659 35.672 26.260 1.00 0.00 C ATOM 76 C LEU A 5 30.289 35.402 24.897 1.00 0.00 C ATOM 77 O LEU A 5 29.598 35.022 23.954 1.00 0.00 O ATOM 78 CB LEU A 5 29.234 34.387 26.993 1.00 0.00 C ATOM 79 CG LEU A 5 30.317 33.346 27.329 1.00 0.00 C ATOM 80 CD1 LEU A 5 30.694 32.451 26.145 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.583 33.958 27.926 1.00 0.00 C ATOM 0 H LEU A 5 27.734 35.985 25.583 1.00 0.00 H new ATOM 0 HA LEU A 5 30.411 36.168 26.874 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.754 34.680 27.927 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.475 33.893 26.386 1.00 0.00 H new ATOM 0 HG LEU A 5 29.847 32.723 28.089 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.462 31.742 26.455 1.00 0.00 H new ATOM 0 HD12 LEU A 5 29.813 31.906 25.806 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.076 33.067 25.331 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.304 33.168 28.139 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.016 34.663 27.216 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.334 34.480 28.850 1.00 0.00 H new ATOM 93 N PHE A 6 31.601 35.574 24.824 1.00 0.00 N ATOM 94 CA PHE A 6 32.437 35.391 23.652 1.00 0.00 C ATOM 95 C PHE A 6 33.466 34.270 23.885 1.00 0.00 C ATOM 96 O PHE A 6 34.047 34.163 24.968 1.00 0.00 O ATOM 97 CB PHE A 6 33.090 36.752 23.386 1.00 0.00 C ATOM 98 CG PHE A 6 34.015 36.852 22.195 1.00 0.00 C ATOM 99 CD1 PHE A 6 33.785 36.113 21.018 1.00 0.00 C ATOM 100 CD2 PHE A 6 35.105 37.738 22.260 1.00 0.00 C ATOM 101 CE1 PHE A 6 34.670 36.224 19.937 1.00 0.00 C ATOM 102 CE2 PHE A 6 35.962 37.874 21.161 1.00 0.00 C ATOM 103 CZ PHE A 6 35.762 37.096 20.010 1.00 0.00 C ATOM 0 H PHE A 6 32.143 35.864 25.638 1.00 0.00 H new ATOM 0 HA PHE A 6 31.862 35.074 22.782 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.297 37.489 23.261 1.00 0.00 H new ATOM 0 HB3 PHE A 6 33.652 37.037 24.275 1.00 0.00 H new ATOM 0 HD1 PHE A 6 32.927 35.461 20.949 1.00 0.00 H new ATOM 0 HD2 PHE A 6 35.281 38.313 23.157 1.00 0.00 H new ATOM 0 HE1 PHE A 6 34.509 35.635 19.046 1.00 0.00 H new ATOM 0 HE2 PHE A 6 36.779 38.579 21.199 1.00 0.00 H new ATOM 0 HZ PHE A 6 36.450 37.170 19.181 1.00 0.00 H new ATOM 113 N ILE A 7 33.679 33.430 22.870 1.00 0.00 N ATOM 114 CA ILE A 7 34.697 32.366 22.825 1.00 0.00 C ATOM 115 C ILE A 7 35.871 32.833 21.946 1.00 0.00 C ATOM 116 O ILE A 7 35.648 33.485 20.930 1.00 0.00 O ATOM 117 CB ILE A 7 34.083 31.061 22.267 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.755 30.629 22.934 1.00 0.00 C ATOM 119 CG2 ILE A 7 35.075 29.890 22.328 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.845 30.287 24.422 1.00 0.00 C ATOM 0 H ILE A 7 33.124 33.471 22.015 1.00 0.00 H new ATOM 0 HA ILE A 7 35.061 32.163 23.832 1.00 0.00 H new ATOM 0 HB ILE A 7 33.853 31.307 21.231 1.00 0.00 H new ATOM 0 HG12 ILE A 7 32.027 31.431 22.807 1.00 0.00 H new ATOM 0 HG13 ILE A 7 32.368 29.760 22.402 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.604 28.993 21.927 1.00 0.00 H new ATOM 0 HG22 ILE A 7 35.959 30.131 21.738 1.00 0.00 H new ATOM 0 HG23 ILE A 7 35.367 29.714 23.363 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.860 29.998 24.789 1.00 0.00 H new ATOM 0 HD12 ILE A 7 33.542 29.461 24.564 1.00 0.00 H new ATOM 0 HD13 ILE A 7 33.197 31.158 24.975 1.00 0.00 H new ATOM 132 N GLY A 8 37.109 32.468 22.290 1.00 0.00 N ATOM 133 CA GLY A 8 38.284 32.714 21.442 1.00 0.00 C ATOM 134 C GLY A 8 38.299 31.916 20.132 1.00 0.00 C ATOM 135 O GLY A 8 37.295 31.358 19.698 1.00 0.00 O ATOM 0 H GLY A 8 37.328 31.993 23.166 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.330 33.777 21.206 1.00 0.00 H new ATOM 0 HA3 GLY A 8 39.183 32.474 22.010 1.00 0.00 H new ATOM 139 N ASN A 9 39.468 31.807 19.493 1.00 0.00 N ATOM 140 CA ASN A 9 39.613 31.188 18.163 1.00 0.00 C ATOM 141 C ASN A 9 39.706 29.643 18.176 1.00 0.00 C ATOM 142 O ASN A 9 40.148 29.035 17.198 1.00 0.00 O ATOM 143 CB ASN A 9 40.753 31.882 17.390 1.00 0.00 C ATOM 144 CG ASN A 9 40.435 33.300 16.945 1.00 0.00 C ATOM 145 OD1 ASN A 9 39.395 33.876 17.237 1.00 0.00 O ATOM 146 ND2 ASN A 9 41.302 33.883 16.158 1.00 0.00 N ATOM 0 H ASN A 9 40.348 32.146 19.882 1.00 0.00 H new ATOM 0 HA ASN A 9 38.683 31.358 17.620 1.00 0.00 H new ATOM 0 HB2 ASN A 9 41.643 31.902 18.019 1.00 0.00 H new ATOM 0 HB3 ASN A 9 40.997 31.284 16.512 1.00 0.00 H new ATOM 0 HD21 ASN A 9 41.111 34.815 15.790 1.00 0.00 H new ATOM 0 HD22 ASN A 9 42.170 33.406 15.913 1.00 0.00 H new ATOM 153 N LEU A 10 39.266 28.994 19.256 1.00 0.00 N ATOM 154 CA LEU A 10 39.167 27.534 19.355 1.00 0.00 C ATOM 155 C LEU A 10 38.087 26.918 18.421 1.00 0.00 C ATOM 156 O LEU A 10 38.370 25.870 17.838 1.00 0.00 O ATOM 157 CB LEU A 10 38.994 27.159 20.841 1.00 0.00 C ATOM 158 CG LEU A 10 38.954 25.646 21.137 1.00 0.00 C ATOM 159 CD1 LEU A 10 40.242 24.927 20.736 1.00 0.00 C ATOM 160 CD2 LEU A 10 38.741 25.429 22.635 1.00 0.00 C ATOM 0 H LEU A 10 38.963 29.476 20.102 1.00 0.00 H new ATOM 0 HA LEU A 10 40.091 27.089 18.986 1.00 0.00 H new ATOM 0 HB2 LEU A 10 39.812 27.602 21.408 1.00 0.00 H new ATOM 0 HB3 LEU A 10 38.071 27.609 21.208 1.00 0.00 H new ATOM 0 HG LEU A 10 38.136 25.232 20.547 1.00 0.00 H new ATOM 0 HD11 LEU A 10 40.154 23.866 20.969 1.00 0.00 H new ATOM 0 HD12 LEU A 10 40.410 25.051 19.666 1.00 0.00 H new ATOM 0 HD13 LEU A 10 41.082 25.351 21.287 1.00 0.00 H new ATOM 0 HD21 LEU A 10 38.712 24.360 22.847 1.00 0.00 H new ATOM 0 HD22 LEU A 10 39.560 25.887 23.189 1.00 0.00 H new ATOM 0 HD23 LEU A 10 37.798 25.885 22.938 1.00 0.00 H new ATOM 172 N PRO A 11 36.906 27.537 18.178 1.00 0.00 N ATOM 173 CA PRO A 11 35.853 27.001 17.299 1.00 0.00 C ATOM 174 C PRO A 11 36.129 27.041 15.786 1.00 0.00 C ATOM 175 O PRO A 11 35.201 26.867 14.996 1.00 0.00 O ATOM 176 CB PRO A 11 34.564 27.754 17.656 1.00 0.00 C ATOM 177 CG PRO A 11 34.837 28.279 19.059 1.00 0.00 C ATOM 178 CD PRO A 11 36.315 28.620 18.946 1.00 0.00 C ATOM 0 HA PRO A 11 35.786 25.929 17.486 1.00 0.00 H new ATOM 0 HB2 PRO A 11 34.366 28.565 16.955 1.00 0.00 H new ATOM 0 HB3 PRO A 11 33.696 27.096 17.636 1.00 0.00 H new ATOM 0 HG2 PRO A 11 34.228 29.150 19.301 1.00 0.00 H new ATOM 0 HG3 PRO A 11 34.642 27.530 19.827 1.00 0.00 H new ATOM 0 HD2 PRO A 11 36.460 29.579 18.448 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.776 28.700 19.931 1.00 0.00 H new ATOM 186 N LEU A 12 37.385 27.196 15.351 1.00 0.00 N ATOM 187 CA LEU A 12 37.818 27.056 13.948 1.00 0.00 C ATOM 188 C LEU A 12 37.816 25.586 13.450 1.00 0.00 C ATOM 189 O LEU A 12 38.464 25.259 12.454 1.00 0.00 O ATOM 190 CB LEU A 12 39.181 27.761 13.770 1.00 0.00 C ATOM 191 CG LEU A 12 39.119 29.300 13.848 1.00 0.00 C ATOM 192 CD1 LEU A 12 40.528 29.881 13.920 1.00 0.00 C ATOM 193 CD2 LEU A 12 38.468 29.928 12.613 1.00 0.00 C ATOM 0 H LEU A 12 38.153 27.429 15.980 1.00 0.00 H new ATOM 0 HA LEU A 12 37.087 27.549 13.307 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.866 27.398 14.536 1.00 0.00 H new ATOM 0 HB3 LEU A 12 39.601 27.475 12.805 1.00 0.00 H new ATOM 0 HG LEU A 12 38.529 29.527 14.736 1.00 0.00 H new ATOM 0 HD11 LEU A 12 40.471 30.968 13.975 1.00 0.00 H new ATOM 0 HD12 LEU A 12 41.034 29.499 14.807 1.00 0.00 H new ATOM 0 HD13 LEU A 12 41.087 29.591 13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 12 38.451 31.012 12.722 1.00 0.00 H new ATOM 0 HD22 LEU A 12 39.041 29.662 11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 12 37.448 29.558 12.511 1.00 0.00 H new ATOM 205 N LYS A 13 37.081 24.702 14.133 1.00 0.00 N ATOM 206 CA LYS A 13 36.852 23.274 13.850 1.00 0.00 C ATOM 207 C LYS A 13 35.345 22.973 13.796 1.00 0.00 C ATOM 208 O LYS A 13 34.534 23.878 13.996 1.00 0.00 O ATOM 209 CB LYS A 13 37.580 22.428 14.916 1.00 0.00 C ATOM 210 CG LYS A 13 36.996 22.591 16.335 1.00 0.00 C ATOM 211 CD LYS A 13 37.739 21.775 17.401 1.00 0.00 C ATOM 212 CE LYS A 13 37.678 20.264 17.135 1.00 0.00 C ATOM 213 NZ LYS A 13 38.314 19.503 18.234 1.00 0.00 N ATOM 0 H LYS A 13 36.584 24.991 14.976 1.00 0.00 H new ATOM 0 HA LYS A 13 37.259 23.014 12.873 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.531 21.377 14.630 1.00 0.00 H new ATOM 0 HB3 LYS A 13 38.634 22.706 14.931 1.00 0.00 H new ATOM 0 HG2 LYS A 13 37.023 23.645 16.611 1.00 0.00 H new ATOM 0 HG3 LYS A 13 35.948 22.291 16.325 1.00 0.00 H new ATOM 0 HD2 LYS A 13 38.781 22.093 17.436 1.00 0.00 H new ATOM 0 HD3 LYS A 13 37.309 21.986 18.380 1.00 0.00 H new ATOM 0 HE2 LYS A 13 36.639 19.952 17.027 1.00 0.00 H new ATOM 0 HE3 LYS A 13 38.179 20.037 16.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 38.259 18.485 18.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 39.311 19.785 18.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 37.819 19.703 19.127 1.00 0.00 H new ATOM 227 N ASN A 14 34.959 21.717 13.575 1.00 0.00 N ATOM 228 CA ASN A 14 33.561 21.283 13.675 1.00 0.00 C ATOM 229 C ASN A 14 32.931 21.694 15.023 1.00 0.00 C ATOM 230 O ASN A 14 33.446 21.343 16.088 1.00 0.00 O ATOM 231 CB ASN A 14 33.469 19.766 13.431 1.00 0.00 C ATOM 232 CG ASN A 14 34.121 18.922 14.516 1.00 0.00 C ATOM 233 OD1 ASN A 14 35.330 18.927 14.699 1.00 0.00 O ATOM 234 ND2 ASN A 14 33.352 18.159 15.256 1.00 0.00 N ATOM 0 H ASN A 14 35.605 20.969 13.321 1.00 0.00 H new ATOM 0 HA ASN A 14 32.982 21.789 12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 14 32.419 19.485 13.349 1.00 0.00 H new ATOM 0 HB3 ASN A 14 33.937 19.534 12.474 1.00 0.00 H new ATOM 0 HD21 ASN A 14 33.763 17.572 15.982 1.00 0.00 H new ATOM 0 HD22 ASN A 14 32.343 18.153 15.106 1.00 0.00 H new ATOM 241 N VAL A 15 31.833 22.457 14.981 1.00 0.00 N ATOM 242 CA VAL A 15 31.209 23.044 16.176 1.00 0.00 C ATOM 243 C VAL A 15 29.694 23.242 16.012 1.00 0.00 C ATOM 244 O VAL A 15 29.190 23.534 14.924 1.00 0.00 O ATOM 245 CB VAL A 15 31.935 24.352 16.562 1.00 0.00 C ATOM 246 CG1 VAL A 15 31.711 25.491 15.556 1.00 0.00 C ATOM 247 CG2 VAL A 15 31.556 24.795 17.979 1.00 0.00 C ATOM 0 H VAL A 15 31.348 22.687 14.113 1.00 0.00 H new ATOM 0 HA VAL A 15 31.321 22.337 16.998 1.00 0.00 H new ATOM 0 HB VAL A 15 33.001 24.125 16.537 1.00 0.00 H new ATOM 0 HG11 VAL A 15 32.248 26.380 15.887 1.00 0.00 H new ATOM 0 HG12 VAL A 15 32.079 25.188 14.576 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.646 25.714 15.490 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.081 25.718 18.224 1.00 0.00 H new ATOM 0 HG22 VAL A 15 30.481 24.965 18.032 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.836 24.018 18.690 1.00 0.00 H new ATOM 257 N SER A 16 28.964 23.079 17.115 1.00 0.00 N ATOM 258 CA SER A 16 27.499 23.135 17.193 1.00 0.00 C ATOM 259 C SER A 16 27.037 23.991 18.377 1.00 0.00 C ATOM 260 O SER A 16 27.823 24.290 19.278 1.00 0.00 O ATOM 261 CB SER A 16 26.954 21.714 17.364 1.00 0.00 C ATOM 262 OG SER A 16 27.395 20.848 16.335 1.00 0.00 O ATOM 0 H SER A 16 29.394 22.896 18.021 1.00 0.00 H new ATOM 0 HA SER A 16 27.123 23.585 16.274 1.00 0.00 H new ATOM 0 HB2 SER A 16 27.269 21.319 18.330 1.00 0.00 H new ATOM 0 HB3 SER A 16 25.864 21.742 17.371 1.00 0.00 H new ATOM 0 HG SER A 16 27.027 19.952 16.482 1.00 0.00 H new ATOM 268 N LYS A 17 25.745 24.338 18.443 1.00 0.00 N ATOM 269 CA LYS A 17 25.154 25.015 19.614 1.00 0.00 C ATOM 270 C LYS A 17 25.342 24.195 20.886 1.00 0.00 C ATOM 271 O LYS A 17 25.561 24.771 21.941 1.00 0.00 O ATOM 272 CB LYS A 17 23.657 25.285 19.401 1.00 0.00 C ATOM 273 CG LYS A 17 23.397 26.202 18.199 1.00 0.00 C ATOM 274 CD LYS A 17 21.922 26.586 18.056 1.00 0.00 C ATOM 275 CE LYS A 17 21.016 25.370 17.833 1.00 0.00 C ATOM 276 NZ LYS A 17 19.654 25.803 17.459 1.00 0.00 N ATOM 0 H LYS A 17 25.079 24.160 17.691 1.00 0.00 H new ATOM 0 HA LYS A 17 25.676 25.965 19.727 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.137 24.339 19.253 1.00 0.00 H new ATOM 0 HB3 LYS A 17 23.241 25.740 20.300 1.00 0.00 H new ATOM 0 HG2 LYS A 17 23.995 27.107 18.302 1.00 0.00 H new ATOM 0 HG3 LYS A 17 23.728 25.703 17.288 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.599 27.115 18.953 1.00 0.00 H new ATOM 0 HD3 LYS A 17 21.809 27.277 17.220 1.00 0.00 H new ATOM 0 HE2 LYS A 17 21.432 24.738 17.048 1.00 0.00 H new ATOM 0 HE3 LYS A 17 20.976 24.767 18.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.052 24.968 17.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.254 26.387 18.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.695 26.359 16.581 1.00 0.00 H new ATOM 290 N GLU A 18 25.344 22.867 20.777 1.00 0.00 N ATOM 291 CA GLU A 18 25.616 21.952 21.893 1.00 0.00 C ATOM 292 C GLU A 18 27.045 22.072 22.464 1.00 0.00 C ATOM 293 O GLU A 18 27.246 21.793 23.646 1.00 0.00 O ATOM 294 CB GLU A 18 25.321 20.504 21.466 1.00 0.00 C ATOM 295 CG GLU A 18 23.852 20.263 21.080 1.00 0.00 C ATOM 296 CD GLU A 18 22.883 20.669 22.198 1.00 0.00 C ATOM 297 OE1 GLU A 18 22.856 20.011 23.264 1.00 0.00 O ATOM 298 OE2 GLU A 18 22.156 21.678 22.030 1.00 0.00 O ATOM 0 H GLU A 18 25.154 22.386 19.898 1.00 0.00 H new ATOM 0 HA GLU A 18 24.949 22.244 22.704 1.00 0.00 H new ATOM 0 HB2 GLU A 18 25.957 20.247 20.619 1.00 0.00 H new ATOM 0 HB3 GLU A 18 25.589 19.832 22.281 1.00 0.00 H new ATOM 0 HG2 GLU A 18 23.619 20.827 20.177 1.00 0.00 H new ATOM 0 HG3 GLU A 18 23.709 19.209 20.843 1.00 0.00 H new ATOM 305 N ASP A 19 28.032 22.534 21.686 1.00 0.00 N ATOM 306 CA ASP A 19 29.357 22.874 22.218 1.00 0.00 C ATOM 307 C ASP A 19 29.274 24.144 23.076 1.00 0.00 C ATOM 308 O ASP A 19 29.713 24.153 24.221 1.00 0.00 O ATOM 309 CB ASP A 19 30.379 23.063 21.086 1.00 0.00 C ATOM 310 CG ASP A 19 30.662 21.781 20.308 1.00 0.00 C ATOM 311 OD1 ASP A 19 29.844 21.362 19.457 1.00 0.00 O ATOM 312 OD2 ASP A 19 31.725 21.155 20.525 1.00 0.00 O ATOM 0 H ASP A 19 27.937 22.681 20.681 1.00 0.00 H new ATOM 0 HA ASP A 19 29.693 22.045 22.841 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.012 23.824 20.398 1.00 0.00 H new ATOM 0 HB3 ASP A 19 31.312 23.438 21.507 1.00 0.00 H new ATOM 317 N LEU A 20 28.628 25.201 22.575 1.00 0.00 N ATOM 318 CA LEU A 20 28.408 26.433 23.348 1.00 0.00 C ATOM 319 C LEU A 20 27.568 26.166 24.605 1.00 0.00 C ATOM 320 O LEU A 20 27.895 26.676 25.670 1.00 0.00 O ATOM 321 CB LEU A 20 27.785 27.503 22.429 1.00 0.00 C ATOM 322 CG LEU A 20 28.797 28.443 21.745 1.00 0.00 C ATOM 323 CD1 LEU A 20 29.290 29.524 22.707 1.00 0.00 C ATOM 324 CD2 LEU A 20 30.010 27.708 21.160 1.00 0.00 C ATOM 0 H LEU A 20 28.245 25.230 21.630 1.00 0.00 H new ATOM 0 HA LEU A 20 29.364 26.812 23.709 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.199 27.002 21.659 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.092 28.105 23.016 1.00 0.00 H new ATOM 0 HG LEU A 20 28.252 28.899 20.919 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.002 30.170 22.194 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.444 30.118 23.051 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.776 29.055 23.563 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.682 28.429 20.694 1.00 0.00 H new ATOM 0 HD22 LEU A 20 30.537 27.184 21.957 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.674 26.989 20.413 1.00 0.00 H new ATOM 336 N PHE A 21 26.565 25.290 24.507 1.00 0.00 N ATOM 337 CA PHE A 21 25.712 24.836 25.606 1.00 0.00 C ATOM 338 C PHE A 21 26.515 24.122 26.707 1.00 0.00 C ATOM 339 O PHE A 21 26.256 24.346 27.886 1.00 0.00 O ATOM 340 CB PHE A 21 24.627 23.919 25.008 1.00 0.00 C ATOM 341 CG PHE A 21 23.439 23.577 25.888 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.548 22.585 26.881 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.189 24.184 25.654 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.423 22.220 27.641 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.063 23.818 26.415 1.00 0.00 C ATOM 346 CZ PHE A 21 21.181 22.835 27.410 1.00 0.00 C ATOM 0 H PHE A 21 26.315 24.858 23.617 1.00 0.00 H new ATOM 0 HA PHE A 21 25.252 25.696 26.092 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.249 24.391 24.101 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.103 22.986 24.707 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.498 22.103 27.059 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.094 24.936 24.885 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.514 21.463 28.406 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.110 24.293 26.234 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.319 22.552 27.996 1.00 0.00 H new ATOM 356 N ARG A 22 27.510 23.282 26.374 1.00 0.00 N ATOM 357 CA ARG A 22 28.298 22.586 27.414 1.00 0.00 C ATOM 358 C ARG A 22 29.299 23.496 28.118 1.00 0.00 C ATOM 359 O ARG A 22 29.591 23.259 29.288 1.00 0.00 O ATOM 360 CB ARG A 22 28.910 21.276 26.898 1.00 0.00 C ATOM 361 CG ARG A 22 30.249 21.339 26.138 1.00 0.00 C ATOM 362 CD ARG A 22 31.510 21.373 27.019 1.00 0.00 C ATOM 363 NE ARG A 22 31.589 20.222 27.938 1.00 0.00 N ATOM 364 CZ ARG A 22 32.203 20.184 29.105 1.00 0.00 C ATOM 365 NH1 ARG A 22 32.887 21.179 29.576 1.00 0.00 N ATOM 366 NH2 ARG A 22 32.141 19.112 29.826 1.00 0.00 N ATOM 0 H ARG A 22 27.786 23.069 25.415 1.00 0.00 H new ATOM 0 HA ARG A 22 27.593 22.297 28.194 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.045 20.614 27.753 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.178 20.804 26.242 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.312 20.475 25.477 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.246 22.226 25.504 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.394 21.386 26.382 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.520 22.297 27.597 1.00 0.00 H new ATOM 0 HE ARG A 22 31.120 19.366 27.640 1.00 0.00 H new ATOM 0 HH11 ARG A 22 32.969 22.042 29.038 1.00 0.00 H new ATOM 0 HH12 ARG A 22 33.343 21.099 30.485 1.00 0.00 H new ATOM 0 HH21 ARG A 22 31.619 18.302 29.491 1.00 0.00 H new ATOM 0 HH22 ARG A 22 32.614 19.077 30.729 1.00 0.00 H new ATOM 380 N ILE A 23 29.791 24.534 27.441 1.00 0.00 N ATOM 381 CA ILE A 23 30.643 25.559 28.061 1.00 0.00 C ATOM 382 C ILE A 23 29.767 26.506 28.913 1.00 0.00 C ATOM 383 O ILE A 23 30.092 26.774 30.067 1.00 0.00 O ATOM 384 CB ILE A 23 31.469 26.317 26.989 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.217 25.410 25.977 1.00 0.00 C ATOM 386 CG2 ILE A 23 32.533 27.207 27.660 1.00 0.00 C ATOM 387 CD1 ILE A 23 32.647 26.153 24.704 1.00 0.00 C ATOM 0 H ILE A 23 29.613 24.691 26.449 1.00 0.00 H new ATOM 0 HA ILE A 23 31.366 25.083 28.723 1.00 0.00 H new ATOM 0 HB ILE A 23 30.725 26.893 26.438 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.099 24.988 26.459 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.573 24.574 25.703 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.104 27.732 26.894 1.00 0.00 H new ATOM 0 HG22 ILE A 23 32.043 27.933 28.309 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.205 26.586 28.252 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.165 25.463 24.037 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.766 26.552 24.201 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.316 26.972 24.969 1.00 0.00 H new ATOM 399 N PHE A 24 28.621 26.953 28.379 1.00 0.00 N ATOM 400 CA PHE A 24 27.664 27.865 29.019 1.00 0.00 C ATOM 401 C PHE A 24 26.213 27.421 28.782 1.00 0.00 C ATOM 402 O PHE A 24 25.621 27.675 27.739 1.00 0.00 O ATOM 403 CB PHE A 24 27.854 29.294 28.490 1.00 0.00 C ATOM 404 CG PHE A 24 29.126 29.970 28.946 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.322 29.711 28.261 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.124 30.860 30.037 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.523 30.260 28.721 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.329 31.447 30.456 1.00 0.00 C ATOM 409 CZ PHE A 24 31.538 31.106 29.834 1.00 0.00 C ATOM 0 H PHE A 24 28.323 26.675 27.444 1.00 0.00 H new ATOM 0 HA PHE A 24 27.858 27.841 30.091 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.842 29.268 27.400 1.00 0.00 H new ATOM 0 HB3 PHE A 24 27.004 29.900 28.804 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.315 29.088 27.379 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.201 31.090 30.549 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.447 30.028 28.212 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.324 32.165 31.262 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.473 31.493 30.211 1.00 0.00 H new ATOM 419 N SER A 25 25.613 26.806 29.800 1.00 0.00 N ATOM 420 CA SER A 25 24.167 26.543 29.918 1.00 0.00 C ATOM 421 C SER A 25 23.766 26.168 31.358 1.00 0.00 C ATOM 422 O SER A 25 22.868 26.818 31.890 1.00 0.00 O ATOM 423 CB SER A 25 23.726 25.459 28.922 1.00 0.00 C ATOM 424 OG SER A 25 22.334 25.225 28.946 1.00 0.00 O ATOM 0 H SER A 25 26.138 26.460 30.603 1.00 0.00 H new ATOM 0 HA SER A 25 23.646 27.468 29.670 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.022 25.755 27.916 1.00 0.00 H new ATOM 0 HB3 SER A 25 24.250 24.530 29.148 1.00 0.00 H new ATOM 0 HG SER A 25 22.099 24.576 28.251 1.00 0.00 H new ATOM 430 N PRO A 26 24.447 25.231 32.064 1.00 0.00 N ATOM 431 CA PRO A 26 23.962 24.680 33.344 1.00 0.00 C ATOM 432 C PRO A 26 24.168 25.579 34.579 1.00 0.00 C ATOM 433 O PRO A 26 24.156 25.091 35.712 1.00 0.00 O ATOM 434 CB PRO A 26 24.643 23.312 33.471 1.00 0.00 C ATOM 435 CG PRO A 26 25.973 23.515 32.761 1.00 0.00 C ATOM 436 CD PRO A 26 25.595 24.438 31.613 1.00 0.00 C ATOM 0 HA PRO A 26 22.875 24.603 33.324 1.00 0.00 H new ATOM 0 HB2 PRO A 26 24.783 23.028 34.514 1.00 0.00 H new ATOM 0 HB3 PRO A 26 24.053 22.524 33.003 1.00 0.00 H new ATOM 0 HG2 PRO A 26 26.718 23.966 33.416 1.00 0.00 H new ATOM 0 HG3 PRO A 26 26.391 22.573 32.404 1.00 0.00 H new ATOM 0 HD2 PRO A 26 26.431 25.085 31.347 1.00 0.00 H new ATOM 0 HD3 PRO A 26 25.341 23.863 30.723 1.00 0.00 H new ATOM 444 N TYR A 27 24.363 26.886 34.393 1.00 0.00 N ATOM 445 CA TYR A 27 24.740 27.850 35.440 1.00 0.00 C ATOM 446 C TYR A 27 23.552 28.634 36.036 1.00 0.00 C ATOM 447 O TYR A 27 23.744 29.637 36.717 1.00 0.00 O ATOM 448 CB TYR A 27 25.884 28.732 34.919 1.00 0.00 C ATOM 449 CG TYR A 27 27.185 27.969 34.723 1.00 0.00 C ATOM 450 CD1 TYR A 27 27.478 27.354 33.488 1.00 0.00 C ATOM 451 CD2 TYR A 27 28.111 27.891 35.784 1.00 0.00 C ATOM 452 CE1 TYR A 27 28.695 26.665 33.313 1.00 0.00 C ATOM 453 CE2 TYR A 27 29.331 27.211 35.610 1.00 0.00 C ATOM 454 CZ TYR A 27 29.624 26.595 34.375 1.00 0.00 C ATOM 455 OH TYR A 27 30.809 25.952 34.202 1.00 0.00 O ATOM 0 H TYR A 27 24.260 27.323 33.477 1.00 0.00 H new ATOM 0 HA TYR A 27 25.105 27.294 36.303 1.00 0.00 H new ATOM 0 HB2 TYR A 27 25.586 29.180 33.971 1.00 0.00 H new ATOM 0 HB3 TYR A 27 26.052 29.550 35.619 1.00 0.00 H new ATOM 0 HD1 TYR A 27 26.769 27.411 32.675 1.00 0.00 H new ATOM 0 HD2 TYR A 27 27.883 28.354 36.733 1.00 0.00 H new ATOM 0 HE1 TYR A 27 28.917 26.191 32.368 1.00 0.00 H new ATOM 0 HE2 TYR A 27 30.042 27.161 36.421 1.00 0.00 H new ATOM 0 HH TYR A 27 31.317 25.971 35.040 1.00 0.00 H new ATOM 465 N GLY A 28 22.315 28.181 35.811 1.00 0.00 N ATOM 466 CA GLY A 28 21.082 28.735 36.394 1.00 0.00 C ATOM 467 C GLY A 28 20.623 30.095 35.854 1.00 0.00 C ATOM 468 O GLY A 28 19.666 30.665 36.381 1.00 0.00 O ATOM 0 H GLY A 28 22.135 27.388 35.195 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.277 28.016 36.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.224 28.825 37.471 1.00 0.00 H new ATOM 472 N HIS A 29 21.295 30.624 34.832 1.00 0.00 N ATOM 473 CA HIS A 29 21.121 31.976 34.295 1.00 0.00 C ATOM 474 C HIS A 29 21.291 31.934 32.773 1.00 0.00 C ATOM 475 O HIS A 29 22.269 31.372 32.286 1.00 0.00 O ATOM 476 CB HIS A 29 22.146 32.897 34.976 1.00 0.00 C ATOM 477 CG HIS A 29 21.791 33.196 36.415 1.00 0.00 C ATOM 478 ND1 HIS A 29 20.840 34.121 36.847 1.00 0.00 N ATOM 479 CD2 HIS A 29 22.285 32.553 37.505 1.00 0.00 C ATOM 480 CE1 HIS A 29 20.750 33.981 38.179 1.00 0.00 C ATOM 481 NE2 HIS A 29 21.629 33.059 38.601 1.00 0.00 N ATOM 0 H HIS A 29 22.010 30.097 34.331 1.00 0.00 H new ATOM 0 HA HIS A 29 20.124 32.366 34.499 1.00 0.00 H new ATOM 0 HB2 HIS A 29 23.130 32.431 34.938 1.00 0.00 H new ATOM 0 HB3 HIS A 29 22.215 33.832 34.420 1.00 0.00 H new ATOM 0 HD2 HIS A 29 23.048 31.789 37.509 1.00 0.00 H new ATOM 0 HE1 HIS A 29 20.071 34.529 38.816 1.00 0.00 H new ATOM 0 HE2 HIS A 29 21.784 32.781 39.570 1.00 0.00 H new ATOM 489 N ILE A 30 20.308 32.449 32.023 1.00 0.00 N ATOM 490 CA ILE A 30 20.075 32.044 30.625 1.00 0.00 C ATOM 491 C ILE A 30 19.439 33.157 29.769 1.00 0.00 C ATOM 492 O ILE A 30 18.837 34.084 30.301 1.00 0.00 O ATOM 493 CB ILE A 30 19.205 30.755 30.635 1.00 0.00 C ATOM 494 CG1 ILE A 30 19.424 29.851 29.403 1.00 0.00 C ATOM 495 CG2 ILE A 30 17.702 31.067 30.800 1.00 0.00 C ATOM 496 CD1 ILE A 30 20.754 29.090 29.478 1.00 0.00 C ATOM 0 H ILE A 30 19.654 33.154 32.363 1.00 0.00 H new ATOM 0 HA ILE A 30 21.037 31.845 30.153 1.00 0.00 H new ATOM 0 HB ILE A 30 19.546 30.198 31.508 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.603 29.139 29.325 1.00 0.00 H new ATOM 0 HG13 ILE A 30 19.405 30.459 28.499 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.135 30.136 30.801 1.00 0.00 H new ATOM 0 HG22 ILE A 30 17.541 31.591 31.742 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.368 31.694 29.974 1.00 0.00 H new ATOM 0 HD11 ILE A 30 20.867 28.466 28.591 1.00 0.00 H new ATOM 0 HD12 ILE A 30 21.578 29.802 29.528 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.763 28.460 30.368 1.00 0.00 H new ATOM 508 N MET A 31 19.549 33.040 28.443 1.00 0.00 N ATOM 509 CA MET A 31 18.626 33.573 27.420 1.00 0.00 C ATOM 510 C MET A 31 18.823 32.756 26.122 1.00 0.00 C ATOM 511 O MET A 31 18.109 31.774 25.915 1.00 0.00 O ATOM 512 CB MET A 31 18.789 35.086 27.143 1.00 0.00 C ATOM 513 CG MET A 31 17.990 36.077 27.983 1.00 0.00 C ATOM 514 SD MET A 31 18.158 37.787 27.383 1.00 0.00 S ATOM 515 CE MET A 31 19.917 38.131 27.652 1.00 0.00 C ATOM 0 H MET A 31 20.332 32.540 28.022 1.00 0.00 H new ATOM 0 HA MET A 31 17.612 33.468 27.806 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.845 35.331 27.259 1.00 0.00 H new ATOM 0 HB3 MET A 31 18.535 35.259 26.097 1.00 0.00 H new ATOM 0 HG2 MET A 31 16.938 35.793 27.973 1.00 0.00 H new ATOM 0 HG3 MET A 31 18.324 36.024 29.019 1.00 0.00 H new ATOM 0 HE1 MET A 31 20.182 39.070 27.167 1.00 0.00 H new ATOM 0 HE2 MET A 31 20.114 38.207 28.721 1.00 0.00 H new ATOM 0 HE3 MET A 31 20.514 37.323 27.230 1.00 0.00 H new ATOM 525 N GLN A 32 19.804 33.113 25.280 1.00 0.00 N ATOM 526 CA GLN A 32 19.979 32.616 23.905 1.00 0.00 C ATOM 527 C GLN A 32 21.433 32.226 23.556 1.00 0.00 C ATOM 528 O GLN A 32 22.395 32.738 24.133 1.00 0.00 O ATOM 529 CB GLN A 32 19.466 33.674 22.901 1.00 0.00 C ATOM 530 CG GLN A 32 17.983 34.067 23.062 1.00 0.00 C ATOM 531 CD GLN A 32 17.036 32.874 22.978 1.00 0.00 C ATOM 532 OE1 GLN A 32 17.189 31.978 22.157 1.00 0.00 O ATOM 533 NE2 GLN A 32 16.037 32.775 23.820 1.00 0.00 N ATOM 0 H GLN A 32 20.526 33.782 25.548 1.00 0.00 H new ATOM 0 HA GLN A 32 19.394 31.699 23.835 1.00 0.00 H new ATOM 0 HB2 GLN A 32 20.076 34.572 23.000 1.00 0.00 H new ATOM 0 HB3 GLN A 32 19.617 33.296 21.890 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.847 34.564 24.022 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.718 34.789 22.289 1.00 0.00 H new ATOM 0 HE21 GLN A 32 15.882 33.504 24.516 1.00 0.00 H new ATOM 0 HE22 GLN A 32 15.414 31.968 23.780 1.00 0.00 H new ATOM 542 N ILE A 33 21.595 31.338 22.566 1.00 0.00 N ATOM 543 CA ILE A 33 22.891 30.889 22.013 1.00 0.00 C ATOM 544 C ILE A 33 23.090 31.442 20.594 1.00 0.00 C ATOM 545 O ILE A 33 22.168 31.359 19.777 1.00 0.00 O ATOM 546 CB ILE A 33 22.993 29.337 22.050 1.00 0.00 C ATOM 547 CG1 ILE A 33 22.786 28.820 23.495 1.00 0.00 C ATOM 548 CG2 ILE A 33 24.331 28.853 21.448 1.00 0.00 C ATOM 549 CD1 ILE A 33 23.049 27.327 23.721 1.00 0.00 C ATOM 0 H ILE A 33 20.800 30.893 22.107 1.00 0.00 H new ATOM 0 HA ILE A 33 23.695 31.283 22.634 1.00 0.00 H new ATOM 0 HB ILE A 33 22.199 28.920 21.431 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.438 29.388 24.159 1.00 0.00 H new ATOM 0 HG13 ILE A 33 21.760 29.037 23.793 1.00 0.00 H new ATOM 0 HG21 ILE A 33 24.375 27.765 21.487 1.00 0.00 H new ATOM 0 HG22 ILE A 33 24.404 29.182 20.411 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.160 29.270 22.020 1.00 0.00 H new ATOM 0 HD11 ILE A 33 22.872 27.081 24.768 1.00 0.00 H new ATOM 0 HD12 ILE A 33 22.379 26.740 23.092 1.00 0.00 H new ATOM 0 HD13 ILE A 33 24.083 27.097 23.464 1.00 0.00 H new ATOM 561 N ASN A 34 24.286 31.944 20.264 1.00 0.00 N ATOM 562 CA ASN A 34 24.643 32.436 18.924 1.00 0.00 C ATOM 563 C ASN A 34 25.931 31.756 18.406 1.00 0.00 C ATOM 564 O ASN A 34 27.003 32.364 18.349 1.00 0.00 O ATOM 565 CB ASN A 34 24.760 33.972 18.916 1.00 0.00 C ATOM 566 CG ASN A 34 23.591 34.742 19.498 1.00 0.00 C ATOM 567 OD1 ASN A 34 23.783 35.670 20.272 1.00 0.00 O ATOM 568 ND2 ASN A 34 22.370 34.431 19.137 1.00 0.00 N ATOM 0 H ASN A 34 25.051 32.022 20.934 1.00 0.00 H new ATOM 0 HA ASN A 34 23.840 32.168 18.237 1.00 0.00 H new ATOM 0 HB2 ASN A 34 25.659 34.249 19.467 1.00 0.00 H new ATOM 0 HB3 ASN A 34 24.904 34.298 17.886 1.00 0.00 H new ATOM 0 HD21 ASN A 34 21.579 34.963 19.501 1.00 0.00 H new ATOM 0 HD22 ASN A 34 22.210 33.657 18.492 1.00 0.00 H new ATOM 575 N ILE A 35 25.856 30.473 18.040 1.00 0.00 N ATOM 576 CA ILE A 35 27.004 29.776 17.447 1.00 0.00 C ATOM 577 C ILE A 35 27.255 30.291 16.017 1.00 0.00 C ATOM 578 O ILE A 35 26.316 30.427 15.226 1.00 0.00 O ATOM 579 CB ILE A 35 26.849 28.238 17.561 1.00 0.00 C ATOM 580 CG1 ILE A 35 28.174 27.526 17.903 1.00 0.00 C ATOM 581 CG2 ILE A 35 26.192 27.578 16.340 1.00 0.00 C ATOM 582 CD1 ILE A 35 29.420 27.901 17.093 1.00 0.00 C ATOM 0 H ILE A 35 25.020 29.898 18.142 1.00 0.00 H new ATOM 0 HA ILE A 35 27.907 30.006 18.013 1.00 0.00 H new ATOM 0 HB ILE A 35 26.162 28.108 18.397 1.00 0.00 H new ATOM 0 HG12 ILE A 35 28.391 27.711 18.955 1.00 0.00 H new ATOM 0 HG13 ILE A 35 28.015 26.453 17.794 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.122 26.502 16.502 1.00 0.00 H new ATOM 0 HG22 ILE A 35 25.193 27.990 16.198 1.00 0.00 H new ATOM 0 HG23 ILE A 35 26.795 27.773 15.453 1.00 0.00 H new ATOM 0 HD11 ILE A 35 30.272 27.320 17.446 1.00 0.00 H new ATOM 0 HD12 ILE A 35 29.247 27.686 16.038 1.00 0.00 H new ATOM 0 HD13 ILE A 35 29.629 28.964 17.217 1.00 0.00 H new ATOM 594 N LYS A 36 28.518 30.571 15.685 1.00 0.00 N ATOM 595 CA LYS A 36 28.983 30.985 14.357 1.00 0.00 C ATOM 596 C LYS A 36 30.251 30.200 14.005 1.00 0.00 C ATOM 597 O LYS A 36 31.063 29.910 14.884 1.00 0.00 O ATOM 598 CB LYS A 36 29.169 32.515 14.369 1.00 0.00 C ATOM 599 CG LYS A 36 29.123 33.152 12.971 1.00 0.00 C ATOM 600 CD LYS A 36 28.963 34.678 13.080 1.00 0.00 C ATOM 601 CE LYS A 36 28.703 35.283 11.696 1.00 0.00 C ATOM 602 NZ LYS A 36 28.064 36.616 11.775 1.00 0.00 N ATOM 0 H LYS A 36 29.278 30.513 16.363 1.00 0.00 H new ATOM 0 HA LYS A 36 28.260 30.758 13.574 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.392 32.962 14.988 1.00 0.00 H new ATOM 0 HB3 LYS A 36 30.125 32.753 14.836 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.037 32.914 12.426 1.00 0.00 H new ATOM 0 HG3 LYS A 36 28.294 32.733 12.401 1.00 0.00 H new ATOM 0 HD2 LYS A 36 28.138 34.917 13.751 1.00 0.00 H new ATOM 0 HD3 LYS A 36 29.863 35.115 13.513 1.00 0.00 H new ATOM 0 HE2 LYS A 36 29.646 35.366 11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.065 34.611 11.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 27.908 36.984 10.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 27.151 36.535 12.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 28.683 37.267 12.299 1.00 0.00 H new ATOM 616 N ASN A 37 30.426 29.819 12.742 1.00 0.00 N ATOM 617 CA ASN A 37 31.417 28.828 12.295 1.00 0.00 C ATOM 618 C ASN A 37 32.883 29.345 12.242 1.00 0.00 C ATOM 619 O ASN A 37 33.581 29.159 11.244 1.00 0.00 O ATOM 620 CB ASN A 37 30.911 28.237 10.962 1.00 0.00 C ATOM 621 CG ASN A 37 31.676 27.009 10.502 1.00 0.00 C ATOM 622 OD1 ASN A 37 32.202 26.235 11.296 1.00 0.00 O ATOM 623 ND2 ASN A 37 31.739 26.779 9.211 1.00 0.00 N ATOM 0 H ASN A 37 29.870 30.198 11.976 1.00 0.00 H new ATOM 0 HA ASN A 37 31.492 28.041 13.045 1.00 0.00 H new ATOM 0 HB2 ASN A 37 29.858 27.978 11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 37 30.975 29.003 10.189 1.00 0.00 H new ATOM 0 HD21 ASN A 37 32.227 25.954 8.863 1.00 0.00 H new ATOM 0 HD22 ASN A 37 31.300 27.426 8.556 1.00 0.00 H new ATOM 630 N ALA A 38 33.348 30.035 13.286 1.00 0.00 N ATOM 631 CA ALA A 38 34.751 30.431 13.487 1.00 0.00 C ATOM 632 C ALA A 38 35.062 30.750 14.960 1.00 0.00 C ATOM 633 O ALA A 38 36.103 30.357 15.489 1.00 0.00 O ATOM 634 CB ALA A 38 35.062 31.663 12.621 1.00 0.00 C ATOM 0 H ALA A 38 32.740 30.346 14.043 1.00 0.00 H new ATOM 0 HA ALA A 38 35.377 29.588 13.194 1.00 0.00 H new ATOM 0 HB1 ALA A 38 36.101 31.958 12.768 1.00 0.00 H new ATOM 0 HB2 ALA A 38 34.899 31.420 11.571 1.00 0.00 H new ATOM 0 HB3 ALA A 38 34.407 32.485 12.909 1.00 0.00 H new ATOM 640 N PHE A 39 34.151 31.452 15.633 1.00 0.00 N ATOM 641 CA PHE A 39 34.146 31.658 17.081 1.00 0.00 C ATOM 642 C PHE A 39 32.699 31.704 17.589 1.00 0.00 C ATOM 643 O PHE A 39 31.777 32.064 16.857 1.00 0.00 O ATOM 644 CB PHE A 39 34.972 32.890 17.483 1.00 0.00 C ATOM 645 CG PHE A 39 34.699 34.199 16.759 1.00 0.00 C ATOM 646 CD1 PHE A 39 33.441 34.824 16.857 1.00 0.00 C ATOM 647 CD2 PHE A 39 35.743 34.860 16.079 1.00 0.00 C ATOM 648 CE1 PHE A 39 33.228 36.083 16.277 1.00 0.00 C ATOM 649 CE2 PHE A 39 35.530 36.120 15.496 1.00 0.00 C ATOM 650 CZ PHE A 39 34.271 36.733 15.594 1.00 0.00 C ATOM 0 H PHE A 39 33.367 31.910 15.168 1.00 0.00 H new ATOM 0 HA PHE A 39 34.637 30.814 17.566 1.00 0.00 H new ATOM 0 HB2 PHE A 39 34.821 33.060 18.549 1.00 0.00 H new ATOM 0 HB3 PHE A 39 36.025 32.645 17.345 1.00 0.00 H new ATOM 0 HD1 PHE A 39 32.636 34.331 17.382 1.00 0.00 H new ATOM 0 HD2 PHE A 39 36.714 34.393 16.006 1.00 0.00 H new ATOM 0 HE1 PHE A 39 32.260 36.555 16.355 1.00 0.00 H new ATOM 0 HE2 PHE A 39 36.334 36.617 14.973 1.00 0.00 H new ATOM 0 HZ PHE A 39 34.104 37.701 15.146 1.00 0.00 H new ATOM 660 N GLY A 40 32.491 31.300 18.839 1.00 0.00 N ATOM 661 CA GLY A 40 31.163 31.198 19.441 1.00 0.00 C ATOM 662 C GLY A 40 30.728 32.464 20.171 1.00 0.00 C ATOM 663 O GLY A 40 31.550 33.125 20.808 1.00 0.00 O ATOM 0 H GLY A 40 33.246 31.031 19.470 1.00 0.00 H new ATOM 0 HA2 GLY A 40 30.436 30.969 18.662 1.00 0.00 H new ATOM 0 HA3 GLY A 40 31.153 30.363 20.141 1.00 0.00 H new ATOM 667 N PHE A 41 29.423 32.736 20.149 1.00 0.00 N ATOM 668 CA PHE A 41 28.774 33.689 21.046 1.00 0.00 C ATOM 669 C PHE A 41 27.597 33.048 21.796 1.00 0.00 C ATOM 670 O PHE A 41 26.960 32.093 21.348 1.00 0.00 O ATOM 671 CB PHE A 41 28.339 34.948 20.278 1.00 0.00 C ATOM 672 CG PHE A 41 29.345 36.081 20.337 1.00 0.00 C ATOM 673 CD1 PHE A 41 29.326 36.973 21.427 1.00 0.00 C ATOM 674 CD2 PHE A 41 30.306 36.239 19.322 1.00 0.00 C ATOM 675 CE1 PHE A 41 30.267 38.014 21.502 1.00 0.00 C ATOM 676 CE2 PHE A 41 31.240 37.287 19.397 1.00 0.00 C ATOM 677 CZ PHE A 41 31.222 38.173 20.485 1.00 0.00 C ATOM 0 H PHE A 41 28.777 32.292 19.496 1.00 0.00 H new ATOM 0 HA PHE A 41 29.502 33.991 21.799 1.00 0.00 H new ATOM 0 HB2 PHE A 41 28.165 34.684 19.235 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.389 35.298 20.681 1.00 0.00 H new ATOM 0 HD1 PHE A 41 28.587 36.857 22.206 1.00 0.00 H new ATOM 0 HD2 PHE A 41 30.326 35.556 18.486 1.00 0.00 H new ATOM 0 HE1 PHE A 41 30.256 38.692 22.342 1.00 0.00 H new ATOM 0 HE2 PHE A 41 31.974 37.411 18.614 1.00 0.00 H new ATOM 0 HZ PHE A 41 31.942 38.976 20.540 1.00 0.00 H new ATOM 687 N ILE A 42 27.289 33.625 22.948 1.00 0.00 N ATOM 688 CA ILE A 42 26.080 33.404 23.746 1.00 0.00 C ATOM 689 C ILE A 42 25.594 34.768 24.235 1.00 0.00 C ATOM 690 O ILE A 42 26.392 35.694 24.374 1.00 0.00 O ATOM 691 CB ILE A 42 26.385 32.385 24.881 1.00 0.00 C ATOM 692 CG1 ILE A 42 25.784 31.032 24.462 1.00 0.00 C ATOM 693 CG2 ILE A 42 25.864 32.783 26.277 1.00 0.00 C ATOM 694 CD1 ILE A 42 26.242 29.830 25.287 1.00 0.00 C ATOM 0 H ILE A 42 27.913 34.304 23.383 1.00 0.00 H new ATOM 0 HA ILE A 42 25.272 32.958 23.166 1.00 0.00 H new ATOM 0 HB ILE A 42 27.468 32.345 24.994 1.00 0.00 H new ATOM 0 HG12 ILE A 42 24.698 31.101 24.523 1.00 0.00 H new ATOM 0 HG13 ILE A 42 26.033 30.850 23.417 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.127 32.009 26.998 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.316 33.728 26.578 1.00 0.00 H new ATOM 0 HG23 ILE A 42 24.780 32.894 26.243 1.00 0.00 H new ATOM 0 HD11 ILE A 42 25.761 28.927 24.912 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.324 29.725 25.208 1.00 0.00 H new ATOM 0 HD13 ILE A 42 25.968 29.980 26.331 1.00 0.00 H new ATOM 706 N GLN A 43 24.308 34.905 24.535 1.00 0.00 N ATOM 707 CA GLN A 43 23.790 36.061 25.258 1.00 0.00 C ATOM 708 C GLN A 43 22.788 35.590 26.301 1.00 0.00 C ATOM 709 O GLN A 43 21.705 35.140 25.941 1.00 0.00 O ATOM 710 CB GLN A 43 23.206 37.071 24.264 1.00 0.00 C ATOM 711 CG GLN A 43 22.828 38.383 24.960 1.00 0.00 C ATOM 712 CD GLN A 43 22.200 39.341 23.965 1.00 0.00 C ATOM 713 OE1 GLN A 43 20.995 39.352 23.758 1.00 0.00 O ATOM 714 NE2 GLN A 43 22.983 40.127 23.261 1.00 0.00 N ATOM 0 H GLN A 43 23.596 34.219 24.285 1.00 0.00 H new ATOM 0 HA GLN A 43 24.588 36.577 25.792 1.00 0.00 H new ATOM 0 HB2 GLN A 43 23.933 37.271 23.476 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.325 36.644 23.784 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.131 38.184 25.774 1.00 0.00 H new ATOM 0 HG3 GLN A 43 23.714 38.837 25.403 1.00 0.00 H new ATOM 0 HE21 GLN A 43 23.990 40.125 23.426 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.584 40.739 22.549 1.00 0.00 H new ATOM 723 N PHE A 44 23.158 35.677 27.580 1.00 0.00 N ATOM 724 CA PHE A 44 22.372 35.249 28.741 1.00 0.00 C ATOM 725 C PHE A 44 21.990 36.445 29.621 1.00 0.00 C ATOM 726 O PHE A 44 22.573 37.527 29.523 1.00 0.00 O ATOM 727 CB PHE A 44 23.127 34.165 29.531 1.00 0.00 C ATOM 728 CG PHE A 44 23.257 32.775 28.908 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.598 32.401 27.715 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.035 31.813 29.582 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.736 31.105 27.192 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.171 30.515 29.063 1.00 0.00 C ATOM 733 CZ PHE A 44 23.530 30.164 27.862 1.00 0.00 C ATOM 0 H PHE A 44 24.061 36.068 27.849 1.00 0.00 H new ATOM 0 HA PHE A 44 21.440 34.808 28.387 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.133 34.537 29.728 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.634 34.052 30.496 1.00 0.00 H new ATOM 0 HD1 PHE A 44 21.980 33.121 27.199 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.531 32.076 30.505 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.232 30.834 26.276 1.00 0.00 H new ATOM 0 HE2 PHE A 44 24.769 29.785 29.588 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.649 29.170 27.456 1.00 0.00 H new ATOM 743 N ASP A 45 20.978 36.280 30.471 1.00 0.00 N ATOM 744 CA ASP A 45 20.660 37.262 31.508 1.00 0.00 C ATOM 745 C ASP A 45 21.447 36.967 32.795 1.00 0.00 C ATOM 746 O ASP A 45 21.637 35.796 33.118 1.00 0.00 O ATOM 747 CB ASP A 45 19.148 37.291 31.744 1.00 0.00 C ATOM 748 CG ASP A 45 18.789 38.561 32.498 1.00 0.00 C ATOM 749 OD1 ASP A 45 18.881 39.635 31.874 1.00 0.00 O ATOM 750 OD2 ASP A 45 18.481 38.503 33.707 1.00 0.00 O ATOM 0 H ASP A 45 20.359 35.469 30.462 1.00 0.00 H new ATOM 0 HA ASP A 45 20.964 38.255 31.176 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.618 37.256 30.792 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.839 36.415 32.314 1.00 0.00 H new ATOM 755 N ASN A 46 21.836 38.009 33.541 1.00 0.00 N ATOM 756 CA ASN A 46 22.741 37.997 34.708 1.00 0.00 C ATOM 757 C ASN A 46 24.219 37.673 34.385 1.00 0.00 C ATOM 758 O ASN A 46 24.561 36.506 34.185 1.00 0.00 O ATOM 759 CB ASN A 46 22.209 37.080 35.827 1.00 0.00 C ATOM 760 CG ASN A 46 23.078 37.075 37.072 1.00 0.00 C ATOM 761 OD1 ASN A 46 23.694 38.072 37.440 1.00 0.00 O ATOM 762 ND2 ASN A 46 23.169 35.954 37.742 1.00 0.00 N ATOM 0 H ASN A 46 21.506 38.952 33.334 1.00 0.00 H new ATOM 0 HA ASN A 46 22.744 39.028 35.062 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.202 37.398 36.098 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.130 36.062 35.445 1.00 0.00 H new ATOM 0 HD21 ASN A 46 23.754 35.904 38.576 1.00 0.00 H new ATOM 0 HD22 ASN A 46 22.654 35.130 37.430 1.00 0.00 H new ATOM 769 N PRO A 47 25.143 38.656 34.441 1.00 0.00 N ATOM 770 CA PRO A 47 26.553 38.402 34.160 1.00 0.00 C ATOM 771 C PRO A 47 27.271 37.645 35.287 1.00 0.00 C ATOM 772 O PRO A 47 28.306 37.045 35.022 1.00 0.00 O ATOM 773 CB PRO A 47 27.180 39.778 33.938 1.00 0.00 C ATOM 774 CG PRO A 47 26.340 40.681 34.836 1.00 0.00 C ATOM 775 CD PRO A 47 24.943 40.065 34.760 1.00 0.00 C ATOM 0 HA PRO A 47 26.651 37.754 33.289 1.00 0.00 H new ATOM 0 HB2 PRO A 47 28.233 39.793 34.220 1.00 0.00 H new ATOM 0 HB3 PRO A 47 27.126 40.083 32.893 1.00 0.00 H new ATOM 0 HG2 PRO A 47 26.718 40.693 35.858 1.00 0.00 H new ATOM 0 HG3 PRO A 47 26.343 41.712 34.483 1.00 0.00 H new ATOM 0 HD2 PRO A 47 24.414 40.180 35.706 1.00 0.00 H new ATOM 0 HD3 PRO A 47 24.341 40.557 33.996 1.00 0.00 H new ATOM 783 N GLN A 48 26.748 37.614 36.522 1.00 0.00 N ATOM 784 CA GLN A 48 27.471 37.045 37.672 1.00 0.00 C ATOM 785 C GLN A 48 27.769 35.546 37.515 1.00 0.00 C ATOM 786 O GLN A 48 28.881 35.102 37.808 1.00 0.00 O ATOM 787 CB GLN A 48 26.676 37.258 38.966 1.00 0.00 C ATOM 788 CG GLN A 48 26.393 38.719 39.348 1.00 0.00 C ATOM 789 CD GLN A 48 27.618 39.529 39.750 1.00 0.00 C ATOM 790 OE1 GLN A 48 28.764 39.146 39.552 1.00 0.00 O ATOM 791 NE2 GLN A 48 27.409 40.679 40.339 1.00 0.00 N ATOM 0 H GLN A 48 25.823 37.978 36.752 1.00 0.00 H new ATOM 0 HA GLN A 48 28.424 37.572 37.718 1.00 0.00 H new ATOM 0 HB2 GLN A 48 25.724 36.736 38.874 1.00 0.00 H new ATOM 0 HB3 GLN A 48 27.220 36.788 39.785 1.00 0.00 H new ATOM 0 HG2 GLN A 48 25.911 39.212 38.504 1.00 0.00 H new ATOM 0 HG3 GLN A 48 25.681 38.731 40.173 1.00 0.00 H new ATOM 0 HE21 GLN A 48 26.456 41.001 40.505 1.00 0.00 H new ATOM 0 HE22 GLN A 48 28.200 41.253 40.632 1.00 0.00 H new ATOM 800 N SER A 49 26.805 34.778 37.003 1.00 0.00 N ATOM 801 CA SER A 49 26.997 33.355 36.690 1.00 0.00 C ATOM 802 C SER A 49 27.664 33.115 35.334 1.00 0.00 C ATOM 803 O SER A 49 28.247 32.055 35.136 1.00 0.00 O ATOM 804 CB SER A 49 25.678 32.598 36.801 1.00 0.00 C ATOM 805 OG SER A 49 25.392 32.405 38.171 1.00 0.00 O ATOM 0 H SER A 49 25.868 35.122 36.793 1.00 0.00 H new ATOM 0 HA SER A 49 27.691 32.965 37.434 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.876 33.159 36.321 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.746 31.638 36.288 1.00 0.00 H new ATOM 0 HG SER A 49 24.878 31.578 38.285 1.00 0.00 H new ATOM 811 N VAL A 50 27.675 34.102 34.428 1.00 0.00 N ATOM 812 CA VAL A 50 28.543 34.062 33.239 1.00 0.00 C ATOM 813 C VAL A 50 30.007 34.242 33.661 1.00 0.00 C ATOM 814 O VAL A 50 30.865 33.489 33.210 1.00 0.00 O ATOM 815 CB VAL A 50 28.127 35.092 32.167 1.00 0.00 C ATOM 816 CG1 VAL A 50 28.963 34.947 30.890 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.659 34.924 31.754 1.00 0.00 C ATOM 0 H VAL A 50 27.094 34.938 34.494 1.00 0.00 H new ATOM 0 HA VAL A 50 28.428 33.084 32.772 1.00 0.00 H new ATOM 0 HB VAL A 50 28.286 36.069 32.624 1.00 0.00 H new ATOM 0 HG11 VAL A 50 28.642 35.688 30.159 1.00 0.00 H new ATOM 0 HG12 VAL A 50 30.016 35.102 31.125 1.00 0.00 H new ATOM 0 HG13 VAL A 50 28.827 33.947 30.477 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.406 35.668 30.998 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.508 33.925 31.345 1.00 0.00 H new ATOM 0 HG23 VAL A 50 26.018 35.060 32.625 1.00 0.00 H new ATOM 827 N ARG A 51 30.308 35.152 34.598 1.00 0.00 N ATOM 828 CA ARG A 51 31.645 35.278 35.195 1.00 0.00 C ATOM 829 C ARG A 51 32.045 34.013 35.959 1.00 0.00 C ATOM 830 O ARG A 51 33.155 33.531 35.755 1.00 0.00 O ATOM 831 CB ARG A 51 31.729 36.548 36.066 1.00 0.00 C ATOM 832 CG ARG A 51 33.038 36.661 36.871 1.00 0.00 C ATOM 833 CD ARG A 51 34.302 36.644 36.000 1.00 0.00 C ATOM 834 NE ARG A 51 35.486 36.290 36.796 1.00 0.00 N ATOM 835 CZ ARG A 51 36.742 36.500 36.461 1.00 0.00 C ATOM 836 NH1 ARG A 51 37.079 37.010 35.312 1.00 0.00 N ATOM 837 NH2 ARG A 51 37.699 36.188 37.284 1.00 0.00 N ATOM 0 H ARG A 51 29.631 35.822 34.964 1.00 0.00 H new ATOM 0 HA ARG A 51 32.372 35.386 34.390 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.630 37.424 35.426 1.00 0.00 H new ATOM 0 HB3 ARG A 51 30.886 36.561 36.757 1.00 0.00 H new ATOM 0 HG2 ARG A 51 33.019 37.584 37.450 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.088 35.838 37.584 1.00 0.00 H new ATOM 0 HD2 ARG A 51 34.178 35.928 35.188 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.446 37.623 35.543 1.00 0.00 H new ATOM 0 HE ARG A 51 35.318 35.838 37.695 1.00 0.00 H new ATOM 0 HH11 ARG A 51 36.359 37.262 34.635 1.00 0.00 H new ATOM 0 HH12 ARG A 51 38.063 37.158 35.089 1.00 0.00 H new ATOM 0 HH21 ARG A 51 37.478 35.779 38.192 1.00 0.00 H new ATOM 0 HH22 ARG A 51 38.671 36.352 37.022 1.00 0.00 H new ATOM 851 N ASP A 52 31.145 33.438 36.760 1.00 0.00 N ATOM 852 CA ASP A 52 31.410 32.162 37.444 1.00 0.00 C ATOM 853 C ASP A 52 31.699 31.027 36.453 1.00 0.00 C ATOM 854 O ASP A 52 32.636 30.264 36.648 1.00 0.00 O ATOM 855 CB ASP A 52 30.245 31.791 38.365 1.00 0.00 C ATOM 856 CG ASP A 52 30.553 30.561 39.226 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.686 30.435 39.752 1.00 0.00 O ATOM 858 OD2 ASP A 52 29.633 29.722 39.406 1.00 0.00 O ATOM 0 H ASP A 52 30.225 33.833 36.953 1.00 0.00 H new ATOM 0 HA ASP A 52 32.306 32.299 38.050 1.00 0.00 H new ATOM 0 HB2 ASP A 52 30.013 32.636 39.013 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.357 31.598 37.764 1.00 0.00 H new ATOM 863 N ALA A 53 30.954 30.945 35.351 1.00 0.00 N ATOM 864 CA ALA A 53 31.209 29.982 34.285 1.00 0.00 C ATOM 865 C ALA A 53 32.549 30.236 33.566 1.00 0.00 C ATOM 866 O ALA A 53 33.272 29.276 33.308 1.00 0.00 O ATOM 867 CB ALA A 53 30.006 29.991 33.344 1.00 0.00 C ATOM 0 H ALA A 53 30.152 31.550 35.174 1.00 0.00 H new ATOM 0 HA ALA A 53 31.321 28.984 34.708 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.171 29.278 32.536 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.109 29.712 33.897 1.00 0.00 H new ATOM 0 HB3 ALA A 53 29.878 30.990 32.926 1.00 0.00 H new ATOM 873 N ILE A 54 32.945 31.492 33.325 1.00 0.00 N ATOM 874 CA ILE A 54 34.282 31.829 32.797 1.00 0.00 C ATOM 875 C ILE A 54 35.378 31.301 33.723 1.00 0.00 C ATOM 876 O ILE A 54 36.267 30.583 33.267 1.00 0.00 O ATOM 877 CB ILE A 54 34.431 33.363 32.566 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.592 33.799 31.346 1.00 0.00 C ATOM 879 CG2 ILE A 54 35.903 33.800 32.383 1.00 0.00 C ATOM 880 CD1 ILE A 54 33.419 35.308 31.218 1.00 0.00 C ATOM 0 H ILE A 54 32.352 32.305 33.489 1.00 0.00 H new ATOM 0 HA ILE A 54 34.393 31.341 31.829 1.00 0.00 H new ATOM 0 HB ILE A 54 34.062 33.858 33.464 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.064 33.420 30.440 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.608 33.335 31.411 1.00 0.00 H new ATOM 0 HG21 ILE A 54 35.946 34.878 32.226 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.473 33.541 33.275 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.329 33.290 31.519 1.00 0.00 H new ATOM 0 HD11 ILE A 54 32.818 35.532 30.337 1.00 0.00 H new ATOM 0 HD12 ILE A 54 32.918 35.693 32.106 1.00 0.00 H new ATOM 0 HD13 ILE A 54 34.397 35.779 31.120 1.00 0.00 H new ATOM 892 N GLU A 55 35.330 31.613 35.018 1.00 0.00 N ATOM 893 CA GLU A 55 36.399 31.244 35.962 1.00 0.00 C ATOM 894 C GLU A 55 36.338 29.761 36.405 1.00 0.00 C ATOM 895 O GLU A 55 37.349 29.203 36.843 1.00 0.00 O ATOM 896 CB GLU A 55 36.427 32.257 37.118 1.00 0.00 C ATOM 897 CG GLU A 55 35.253 32.123 38.086 1.00 0.00 C ATOM 898 CD GLU A 55 35.305 33.192 39.177 1.00 0.00 C ATOM 899 OE1 GLU A 55 35.183 34.404 38.884 1.00 0.00 O ATOM 900 OE2 GLU A 55 35.495 32.820 40.357 1.00 0.00 O ATOM 0 H GLU A 55 34.558 32.125 35.445 1.00 0.00 H new ATOM 0 HA GLU A 55 37.360 31.306 35.451 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.358 32.136 37.672 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.431 33.266 36.705 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.315 32.207 37.537 1.00 0.00 H new ATOM 0 HG3 GLU A 55 35.267 31.134 38.543 1.00 0.00 H new ATOM 907 N CYS A 56 35.190 29.101 36.211 1.00 0.00 N ATOM 908 CA CYS A 56 34.999 27.653 36.300 1.00 0.00 C ATOM 909 C CYS A 56 35.610 26.916 35.094 1.00 0.00 C ATOM 910 O CYS A 56 36.340 25.940 35.269 1.00 0.00 O ATOM 911 CB CYS A 56 33.490 27.380 36.379 1.00 0.00 C ATOM 912 SG CYS A 56 33.110 25.602 36.477 1.00 0.00 S ATOM 0 H CYS A 56 34.326 29.590 35.976 1.00 0.00 H new ATOM 0 HA CYS A 56 35.509 27.280 37.188 1.00 0.00 H new ATOM 0 HB2 CYS A 56 33.077 27.886 37.252 1.00 0.00 H new ATOM 0 HB3 CYS A 56 33.000 27.806 35.503 1.00 0.00 H new ATOM 0 HG CYS A 56 34.137 24.916 36.071 1.00 0.00 H new ATOM 918 N GLU A 57 35.317 27.367 33.871 1.00 0.00 N ATOM 919 CA GLU A 57 35.500 26.574 32.649 1.00 0.00 C ATOM 920 C GLU A 57 36.762 26.938 31.857 1.00 0.00 C ATOM 921 O GLU A 57 37.352 26.054 31.235 1.00 0.00 O ATOM 922 CB GLU A 57 34.220 26.687 31.801 1.00 0.00 C ATOM 923 CG GLU A 57 34.144 25.698 30.632 1.00 0.00 C ATOM 924 CD GLU A 57 34.321 24.243 31.071 1.00 0.00 C ATOM 925 OE1 GLU A 57 33.715 23.823 32.082 1.00 0.00 O ATOM 926 OE2 GLU A 57 35.096 23.505 30.417 1.00 0.00 O ATOM 0 H GLU A 57 34.943 28.300 33.698 1.00 0.00 H new ATOM 0 HA GLU A 57 35.663 25.535 32.936 1.00 0.00 H new ATOM 0 HB2 GLU A 57 33.356 26.533 32.447 1.00 0.00 H new ATOM 0 HB3 GLU A 57 34.148 27.701 31.408 1.00 0.00 H new ATOM 0 HG2 GLU A 57 33.181 25.807 30.132 1.00 0.00 H new ATOM 0 HG3 GLU A 57 34.913 25.948 29.901 1.00 0.00 H new ATOM 933 N SER A 58 37.249 28.183 31.925 1.00 0.00 N ATOM 934 CA SER A 58 38.534 28.578 31.304 1.00 0.00 C ATOM 935 C SER A 58 39.760 28.010 32.029 1.00 0.00 C ATOM 936 O SER A 58 40.848 27.957 31.458 1.00 0.00 O ATOM 937 CB SER A 58 38.663 30.105 31.219 1.00 0.00 C ATOM 938 OG SER A 58 38.781 30.685 32.506 1.00 0.00 O ATOM 0 H SER A 58 36.773 28.945 32.407 1.00 0.00 H new ATOM 0 HA SER A 58 38.515 28.150 30.302 1.00 0.00 H new ATOM 0 HB2 SER A 58 39.535 30.365 30.619 1.00 0.00 H new ATOM 0 HB3 SER A 58 37.792 30.518 30.710 1.00 0.00 H new ATOM 0 HG SER A 58 37.902 30.997 32.806 1.00 0.00 H new ATOM 944 N GLN A 59 39.579 27.581 33.278 1.00 0.00 N ATOM 945 CA GLN A 59 40.613 27.139 34.208 1.00 0.00 C ATOM 946 C GLN A 59 40.326 25.704 34.684 1.00 0.00 C ATOM 947 O GLN A 59 39.165 25.318 34.833 1.00 0.00 O ATOM 948 CB GLN A 59 40.655 28.166 35.351 1.00 0.00 C ATOM 949 CG GLN A 59 41.686 27.846 36.434 1.00 0.00 C ATOM 950 CD GLN A 59 41.784 28.966 37.456 1.00 0.00 C ATOM 951 OE1 GLN A 59 41.158 28.939 38.510 1.00 0.00 O ATOM 952 NE2 GLN A 59 42.531 30.003 37.160 1.00 0.00 N ATOM 0 H GLN A 59 38.648 27.531 33.691 1.00 0.00 H new ATOM 0 HA GLN A 59 41.595 27.095 33.738 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.873 29.149 34.935 1.00 0.00 H new ATOM 0 HB3 GLN A 59 39.668 28.226 35.809 1.00 0.00 H new ATOM 0 HG2 GLN A 59 41.413 26.917 36.935 1.00 0.00 H new ATOM 0 HG3 GLN A 59 42.661 27.685 35.974 1.00 0.00 H new ATOM 0 HE21 GLN A 59 43.051 30.023 36.283 1.00 0.00 H new ATOM 0 HE22 GLN A 59 42.592 30.789 37.807 1.00 0.00 H new ATOM 1097 N ILE A 68 40.304 30.991 25.942 1.00 0.00 N ATOM 1098 CA ILE A 68 39.647 32.294 26.080 1.00 0.00 C ATOM 1099 C ILE A 68 38.128 32.136 26.185 1.00 0.00 C ATOM 1100 O ILE A 68 37.503 31.624 25.257 1.00 0.00 O ATOM 1101 CB ILE A 68 40.011 33.200 24.886 1.00 0.00 C ATOM 1102 CG1 ILE A 68 41.526 33.456 24.749 1.00 0.00 C ATOM 1103 CG2 ILE A 68 39.241 34.534 24.914 1.00 0.00 C ATOM 1104 CD1 ILE A 68 42.210 33.970 26.020 1.00 0.00 C ATOM 0 HA ILE A 68 40.001 32.760 27.000 1.00 0.00 H new ATOM 0 HB ILE A 68 39.702 32.642 24.002 1.00 0.00 H new ATOM 0 HG12 ILE A 68 42.010 32.529 24.443 1.00 0.00 H new ATOM 0 HG13 ILE A 68 41.687 34.179 23.949 1.00 0.00 H new ATOM 0 HG21 ILE A 68 39.530 35.139 24.054 1.00 0.00 H new ATOM 0 HG22 ILE A 68 38.170 34.337 24.875 1.00 0.00 H new ATOM 0 HG23 ILE A 68 39.478 35.072 25.832 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.272 34.120 25.826 1.00 0.00 H new ATOM 0 HD12 ILE A 68 41.758 34.916 26.319 1.00 0.00 H new ATOM 0 HD13 ILE A 68 42.087 33.240 26.820 1.00 0.00 H new ATOM 1116 N LEU A 69 37.561 32.664 27.273 1.00 0.00 N ATOM 1117 CA LEU A 69 36.134 32.926 27.487 1.00 0.00 C ATOM 1118 C LEU A 69 35.991 34.363 28.033 1.00 0.00 C ATOM 1119 O LEU A 69 36.751 34.746 28.930 1.00 0.00 O ATOM 1120 CB LEU A 69 35.539 31.915 28.493 1.00 0.00 C ATOM 1121 CG LEU A 69 35.818 30.419 28.242 1.00 0.00 C ATOM 1122 CD1 LEU A 69 35.286 29.582 29.409 1.00 0.00 C ATOM 1123 CD2 LEU A 69 35.179 29.893 26.958 1.00 0.00 C ATOM 0 H LEU A 69 38.122 32.938 28.080 1.00 0.00 H new ATOM 0 HA LEU A 69 35.592 32.819 26.547 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.914 32.166 29.485 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.459 32.057 28.515 1.00 0.00 H new ATOM 0 HG LEU A 69 36.900 30.329 28.146 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.488 28.527 29.222 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.780 29.888 30.331 1.00 0.00 H new ATOM 0 HD13 LEU A 69 34.211 29.734 29.505 1.00 0.00 H new ATOM 0 HD21 LEU A 69 35.414 28.835 26.842 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.098 30.021 27.011 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.569 30.447 26.104 1.00 0.00 H new ATOM 1135 N GLU A 70 35.066 35.174 27.515 1.00 0.00 N ATOM 1136 CA GLU A 70 34.955 36.603 27.873 1.00 0.00 C ATOM 1137 C GLU A 70 33.510 37.116 27.930 1.00 0.00 C ATOM 1138 O GLU A 70 32.754 36.914 26.988 1.00 0.00 O ATOM 1139 CB GLU A 70 35.774 37.432 26.861 1.00 0.00 C ATOM 1140 CG GLU A 70 36.007 38.875 27.329 1.00 0.00 C ATOM 1141 CD GLU A 70 36.904 38.944 28.562 1.00 0.00 C ATOM 1142 OE1 GLU A 70 37.912 38.203 28.654 1.00 0.00 O ATOM 1143 OE2 GLU A 70 36.615 39.738 29.485 1.00 0.00 O ATOM 0 H GLU A 70 34.370 34.866 26.836 1.00 0.00 H new ATOM 0 HA GLU A 70 35.349 36.715 28.883 1.00 0.00 H new ATOM 0 HB2 GLU A 70 36.737 36.948 26.696 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.255 37.444 25.903 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.459 39.449 26.520 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.048 39.342 27.553 1.00 0.00 H new ATOM 1150 N VAL A 71 33.130 37.829 29.000 1.00 0.00 N ATOM 1151 CA VAL A 71 31.805 38.471 29.114 1.00 0.00 C ATOM 1152 C VAL A 71 31.864 39.972 28.803 1.00 0.00 C ATOM 1153 O VAL A 71 32.808 40.663 29.200 1.00 0.00 O ATOM 1154 CB VAL A 71 31.101 38.134 30.453 1.00 0.00 C ATOM 1155 CG1 VAL A 71 31.841 38.632 31.697 1.00 0.00 C ATOM 1156 CG2 VAL A 71 29.655 38.645 30.521 1.00 0.00 C ATOM 0 H VAL A 71 33.729 37.979 29.812 1.00 0.00 H new ATOM 0 HA VAL A 71 31.168 38.039 28.342 1.00 0.00 H new ATOM 0 HB VAL A 71 31.106 37.044 30.462 1.00 0.00 H new ATOM 0 HG11 VAL A 71 31.280 38.354 32.589 1.00 0.00 H new ATOM 0 HG12 VAL A 71 32.832 38.180 31.736 1.00 0.00 H new ATOM 0 HG13 VAL A 71 31.938 39.717 31.653 1.00 0.00 H new ATOM 0 HG21 VAL A 71 29.219 38.377 31.483 1.00 0.00 H new ATOM 0 HG22 VAL A 71 29.647 39.729 30.409 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.071 38.193 29.719 1.00 0.00 H new ATOM 1166 N SER A 72 30.837 40.468 28.117 1.00 0.00 N ATOM 1167 CA SER A 72 30.558 41.882 27.853 1.00 0.00 C ATOM 1168 C SER A 72 29.075 42.149 28.143 1.00 0.00 C ATOM 1169 O SER A 72 28.209 41.431 27.644 1.00 0.00 O ATOM 1170 CB SER A 72 30.891 42.228 26.393 1.00 0.00 C ATOM 1171 OG SER A 72 32.294 42.251 26.193 1.00 0.00 O ATOM 0 H SER A 72 30.132 39.857 27.704 1.00 0.00 H new ATOM 0 HA SER A 72 31.177 42.508 28.496 1.00 0.00 H new ATOM 0 HB2 SER A 72 30.435 41.495 25.727 1.00 0.00 H new ATOM 0 HB3 SER A 72 30.466 43.199 26.138 1.00 0.00 H new ATOM 0 HG SER A 72 32.488 42.471 25.258 1.00 0.00 H new ATOM 1177 N SER A 73 28.763 43.147 28.971 1.00 0.00 N ATOM 1178 CA SER A 73 27.383 43.448 29.376 1.00 0.00 C ATOM 1179 C SER A 73 27.142 44.940 29.609 1.00 0.00 C ATOM 1180 O SER A 73 28.056 45.678 29.984 1.00 0.00 O ATOM 1181 CB SER A 73 27.016 42.665 30.648 1.00 0.00 C ATOM 1182 OG SER A 73 27.682 43.188 31.780 1.00 0.00 O ATOM 0 H SER A 73 29.457 43.771 29.381 1.00 0.00 H new ATOM 0 HA SER A 73 26.744 43.140 28.548 1.00 0.00 H new ATOM 0 HB2 SER A 73 25.938 42.706 30.805 1.00 0.00 H new ATOM 0 HB3 SER A 73 27.279 41.615 30.521 1.00 0.00 H new ATOM 0 HG SER A 73 27.430 42.673 32.575 1.00 0.00 H new