USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=10 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 46 ASN : amide:sc= 0.1 K(o=0.1,f=-4.1!) USER MOD Set 1.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 27 TYR OH : rot -33:sc= 0.789 USER MOD Set 2.2: A 56 CYS SG : rot -26:sc= 0.683 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 14:sc= 0.0502 USER MOD Single : A 9 ASN : amide:sc= -0.188 K(o=-0.19,f=0.92) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.39) 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 -97:sc= 1.27 USER MOD Single : A 29 HIS : no HD1:sc= -0.149 X(o=-0.15,f=-0.3) USER MOD Single : A 31 MET CE :methyl -176:sc= 0 (180deg=-0.0252) USER MOD Single : A 32 GLN : amide:sc= -0.123 X(o=-0.12,f=-0.17) USER MOD Single : A 34 ASN : amide:sc= -0.199 X(o=-0.2,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0137 K(o=-0.014,f=-0.57) USER MOD Single : A 43 GLN : amide:sc= -0.097 K(o=-0.097,f=-0.71) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 72 SER OG : rot 27:sc= 0.00518 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.541 41.063 33.584 1.00 0.00 N ATOM 2 CA PRO A 1 19.854 41.569 33.154 1.00 0.00 C ATOM 3 C PRO A 1 20.240 41.109 31.743 1.00 0.00 C ATOM 4 O PRO A 1 19.588 40.243 31.155 1.00 0.00 O ATOM 5 CB PRO A 1 20.850 41.127 34.237 1.00 0.00 C ATOM 6 CG PRO A 1 19.998 41.008 35.508 1.00 0.00 C ATOM 7 CD PRO A 1 18.573 41.289 35.034 1.00 0.00 C ATOM 0 H2 PRO A 1 18.421 40.076 33.356 1.00 0.00 H new ATOM 0 H3 PRO A 1 17.775 41.567 33.138 1.00 0.00 H new ATOM 0 HA PRO A 1 19.845 42.655 33.064 1.00 0.00 H new ATOM 0 HB2 PRO A 1 21.319 40.177 33.982 1.00 0.00 H new ATOM 0 HB3 PRO A 1 21.651 41.855 34.362 1.00 0.00 H new ATOM 0 HG2 PRO A 1 20.081 40.016 35.952 1.00 0.00 H new ATOM 0 HG3 PRO A 1 20.313 41.724 36.267 1.00 0.00 H new ATOM 0 HD2 PRO A 1 17.864 40.634 35.540 1.00 0.00 H new ATOM 0 HD3 PRO A 1 18.285 42.314 35.269 1.00 0.00 H new ATOM 17 N LYS A 2 21.322 41.674 31.202 1.00 0.00 N ATOM 18 CA LYS A 2 21.901 41.302 29.905 1.00 0.00 C ATOM 19 C LYS A 2 23.405 41.062 30.015 1.00 0.00 C ATOM 20 O LYS A 2 24.095 41.697 30.811 1.00 0.00 O ATOM 21 CB LYS A 2 21.546 42.347 28.830 1.00 0.00 C ATOM 22 CG LYS A 2 22.122 43.761 29.076 1.00 0.00 C ATOM 23 CD LYS A 2 21.050 44.855 29.188 1.00 0.00 C ATOM 24 CE LYS A 2 20.169 44.651 30.426 1.00 0.00 C ATOM 25 NZ LYS A 2 19.170 45.729 30.578 1.00 0.00 N ATOM 0 H LYS A 2 21.835 42.424 31.665 1.00 0.00 H new ATOM 0 HA LYS A 2 21.461 40.356 29.590 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.903 41.989 27.865 1.00 0.00 H new ATOM 0 HB3 LYS A 2 20.461 42.420 28.761 1.00 0.00 H new ATOM 0 HG2 LYS A 2 22.712 43.749 29.992 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.802 44.013 28.262 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.530 45.833 29.238 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.428 44.850 28.293 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.658 43.691 30.353 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.797 44.611 31.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.595 45.553 31.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.657 46.643 30.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.553 45.751 29.741 1.00 0.00 H new ATOM 39 N SER A 3 23.897 40.119 29.224 1.00 0.00 N ATOM 40 CA SER A 3 25.302 39.733 29.134 1.00 0.00 C ATOM 41 C SER A 3 25.545 38.984 27.828 1.00 0.00 C ATOM 42 O SER A 3 24.671 38.257 27.351 1.00 0.00 O ATOM 43 CB SER A 3 25.657 38.806 30.297 1.00 0.00 C ATOM 44 OG SER A 3 27.055 38.631 30.376 1.00 0.00 O ATOM 0 H SER A 3 23.302 39.576 28.598 1.00 0.00 H new ATOM 0 HA SER A 3 25.918 40.632 29.171 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.283 39.224 31.231 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.170 37.840 30.163 1.00 0.00 H new ATOM 0 HG SER A 3 27.501 39.304 29.821 1.00 0.00 H new ATOM 50 N ARG A 4 26.736 39.117 27.251 1.00 0.00 N ATOM 51 CA ARG A 4 27.198 38.287 26.140 1.00 0.00 C ATOM 52 C ARG A 4 28.553 37.671 26.455 1.00 0.00 C ATOM 53 O ARG A 4 29.348 38.247 27.191 1.00 0.00 O ATOM 54 CB ARG A 4 27.132 39.048 24.808 1.00 0.00 C ATOM 55 CG ARG A 4 28.322 39.968 24.506 1.00 0.00 C ATOM 56 CD ARG A 4 28.035 40.725 23.205 1.00 0.00 C ATOM 57 NE ARG A 4 29.247 41.018 22.422 1.00 0.00 N ATOM 58 CZ ARG A 4 29.256 41.378 21.152 1.00 0.00 C ATOM 59 NH1 ARG A 4 28.176 41.599 20.462 1.00 0.00 N ATOM 60 NH2 ARG A 4 30.378 41.511 20.522 1.00 0.00 N ATOM 0 H ARG A 4 27.419 39.815 27.546 1.00 0.00 H new ATOM 0 HA ARG A 4 26.518 37.445 26.013 1.00 0.00 H new ATOM 0 HB2 ARG A 4 27.044 38.322 24.000 1.00 0.00 H new ATOM 0 HB3 ARG A 4 26.222 39.647 24.798 1.00 0.00 H new ATOM 0 HG2 ARG A 4 28.476 40.669 25.326 1.00 0.00 H new ATOM 0 HG3 ARG A 4 29.237 39.384 24.410 1.00 0.00 H new ATOM 0 HD2 ARG A 4 27.350 40.137 22.594 1.00 0.00 H new ATOM 0 HD3 ARG A 4 27.529 41.661 23.441 1.00 0.00 H new ATOM 0 HE ARG A 4 30.146 40.937 22.896 1.00 0.00 H new ATOM 0 HH11 ARG A 4 27.261 41.496 20.900 1.00 0.00 H new ATOM 0 HH12 ARG A 4 28.244 41.875 19.482 1.00 0.00 H new ATOM 0 HH21 ARG A 4 31.259 41.338 21.007 1.00 0.00 H new ATOM 0 HH22 ARG A 4 30.382 41.789 19.541 1.00 0.00 H new ATOM 74 N LEU A 5 28.800 36.496 25.898 1.00 0.00 N ATOM 75 CA LEU A 5 29.975 35.679 26.168 1.00 0.00 C ATOM 76 C LEU A 5 30.581 35.232 24.838 1.00 0.00 C ATOM 77 O LEU A 5 29.891 34.671 23.986 1.00 0.00 O ATOM 78 CB LEU A 5 29.540 34.550 27.115 1.00 0.00 C ATOM 79 CG LEU A 5 30.552 33.476 27.543 1.00 0.00 C ATOM 80 CD1 LEU A 5 31.013 32.519 26.445 1.00 0.00 C ATOM 81 CD2 LEU A 5 31.774 34.073 28.231 1.00 0.00 C ATOM 0 H LEU A 5 28.167 36.069 25.222 1.00 0.00 H new ATOM 0 HA LEU A 5 30.776 36.217 26.675 1.00 0.00 H new ATOM 0 HB2 LEU A 5 29.159 35.017 28.023 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.701 34.037 26.644 1.00 0.00 H new ATOM 0 HG LEU A 5 29.977 32.876 28.248 1.00 0.00 H new ATOM 0 HD11 LEU A 5 31.725 31.805 26.860 1.00 0.00 H new ATOM 0 HD12 LEU A 5 30.152 31.983 26.045 1.00 0.00 H new ATOM 0 HD13 LEU A 5 31.491 33.085 25.646 1.00 0.00 H new ATOM 0 HD21 LEU A 5 32.459 33.274 28.514 1.00 0.00 H new ATOM 0 HD22 LEU A 5 32.278 34.758 27.549 1.00 0.00 H new ATOM 0 HD23 LEU A 5 31.461 34.615 29.123 1.00 0.00 H new ATOM 93 N PHE A 6 31.863 35.531 24.666 1.00 0.00 N ATOM 94 CA PHE A 6 32.634 35.311 23.446 1.00 0.00 C ATOM 95 C PHE A 6 33.570 34.101 23.585 1.00 0.00 C ATOM 96 O PHE A 6 34.229 33.941 24.617 1.00 0.00 O ATOM 97 CB PHE A 6 33.391 36.610 23.142 1.00 0.00 C ATOM 98 CG PHE A 6 34.520 36.457 22.151 1.00 0.00 C ATOM 99 CD1 PHE A 6 34.253 36.218 20.792 1.00 0.00 C ATOM 100 CD2 PHE A 6 35.852 36.535 22.595 1.00 0.00 C ATOM 101 CE1 PHE A 6 35.315 36.113 19.876 1.00 0.00 C ATOM 102 CE2 PHE A 6 36.906 36.396 21.682 1.00 0.00 C ATOM 103 CZ PHE A 6 36.644 36.199 20.318 1.00 0.00 C ATOM 0 H PHE A 6 32.421 35.954 25.408 1.00 0.00 H new ATOM 0 HA PHE A 6 31.975 35.070 22.612 1.00 0.00 H new ATOM 0 HB2 PHE A 6 32.685 37.347 22.759 1.00 0.00 H new ATOM 0 HB3 PHE A 6 33.793 37.008 24.074 1.00 0.00 H new ATOM 0 HD1 PHE A 6 33.233 36.115 20.451 1.00 0.00 H new ATOM 0 HD2 PHE A 6 36.063 36.702 23.641 1.00 0.00 H new ATOM 0 HE1 PHE A 6 35.107 35.965 18.827 1.00 0.00 H new ATOM 0 HE2 PHE A 6 37.927 36.441 22.031 1.00 0.00 H new ATOM 0 HZ PHE A 6 37.458 36.114 19.614 1.00 0.00 H new ATOM 113 N ILE A 7 33.640 33.269 22.538 1.00 0.00 N ATOM 114 CA ILE A 7 34.498 32.077 22.476 1.00 0.00 C ATOM 115 C ILE A 7 35.819 32.408 21.764 1.00 0.00 C ATOM 116 O ILE A 7 35.925 32.351 20.538 1.00 0.00 O ATOM 117 CB ILE A 7 33.750 30.894 21.815 1.00 0.00 C ATOM 118 CG1 ILE A 7 32.369 30.597 22.445 1.00 0.00 C ATOM 119 CG2 ILE A 7 34.624 29.627 21.843 1.00 0.00 C ATOM 120 CD1 ILE A 7 32.373 30.278 23.944 1.00 0.00 C ATOM 0 H ILE A 7 33.089 33.408 21.691 1.00 0.00 H new ATOM 0 HA ILE A 7 34.746 31.764 23.490 1.00 0.00 H new ATOM 0 HB ILE A 7 33.559 31.197 20.785 1.00 0.00 H new ATOM 0 HG12 ILE A 7 31.722 31.458 22.278 1.00 0.00 H new ATOM 0 HG13 ILE A 7 31.923 29.756 21.915 1.00 0.00 H new ATOM 0 HG21 ILE A 7 34.085 28.803 21.375 1.00 0.00 H new ATOM 0 HG22 ILE A 7 35.550 29.811 21.298 1.00 0.00 H new ATOM 0 HG23 ILE A 7 34.857 29.368 22.876 1.00 0.00 H new ATOM 0 HD11 ILE A 7 31.353 30.087 24.278 1.00 0.00 H new ATOM 0 HD12 ILE A 7 32.986 29.396 24.127 1.00 0.00 H new ATOM 0 HD13 ILE A 7 32.782 31.125 24.495 1.00 0.00 H new ATOM 132 N GLY A 8 36.854 32.708 22.548 1.00 0.00 N ATOM 133 CA GLY A 8 38.195 33.052 22.070 1.00 0.00 C ATOM 134 C GLY A 8 39.009 31.878 21.515 1.00 0.00 C ATOM 135 O GLY A 8 40.042 32.105 20.900 1.00 0.00 O ATOM 0 H GLY A 8 36.781 32.719 23.565 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.103 33.810 21.292 1.00 0.00 H new ATOM 0 HA3 GLY A 8 38.752 33.504 22.891 1.00 0.00 H new ATOM 139 N ASN A 9 38.569 30.620 21.639 1.00 0.00 N ATOM 140 CA ASN A 9 39.282 29.465 21.061 1.00 0.00 C ATOM 141 C ASN A 9 39.068 29.285 19.542 1.00 0.00 C ATOM 142 O ASN A 9 39.057 28.149 19.059 1.00 0.00 O ATOM 143 CB ASN A 9 38.954 28.184 21.839 1.00 0.00 C ATOM 144 CG ASN A 9 39.244 28.287 23.312 1.00 0.00 C ATOM 145 OD1 ASN A 9 38.330 28.363 24.113 1.00 0.00 O ATOM 146 ND2 ASN A 9 40.498 28.323 23.706 1.00 0.00 N ATOM 0 H ASN A 9 37.715 30.371 22.138 1.00 0.00 H new ATOM 0 HA ASN A 9 40.345 29.680 21.169 1.00 0.00 H new ATOM 0 HB2 ASN A 9 37.900 27.943 21.700 1.00 0.00 H new ATOM 0 HB3 ASN A 9 39.528 27.357 21.421 1.00 0.00 H new ATOM 0 HD21 ASN A 9 40.719 28.416 24.698 1.00 0.00 H new ATOM 0 HD22 ASN A 9 41.250 28.258 23.020 1.00 0.00 H new ATOM 153 N LEU A 10 38.859 30.390 18.812 1.00 0.00 N ATOM 154 CA LEU A 10 38.739 30.490 17.348 1.00 0.00 C ATOM 155 C LEU A 10 38.085 29.262 16.674 1.00 0.00 C ATOM 156 O LEU A 10 38.778 28.530 15.958 1.00 0.00 O ATOM 157 CB LEU A 10 40.095 30.899 16.723 1.00 0.00 C ATOM 158 CG LEU A 10 41.295 29.972 17.028 1.00 0.00 C ATOM 159 CD1 LEU A 10 42.192 29.814 15.802 1.00 0.00 C ATOM 160 CD2 LEU A 10 42.161 30.519 18.163 1.00 0.00 C ATOM 0 H LEU A 10 38.762 31.302 19.259 1.00 0.00 H new ATOM 0 HA LEU A 10 38.026 31.288 17.142 1.00 0.00 H new ATOM 0 HB2 LEU A 10 39.971 30.954 15.641 1.00 0.00 H new ATOM 0 HB3 LEU A 10 40.342 31.903 17.067 1.00 0.00 H new ATOM 0 HG LEU A 10 40.870 29.011 17.318 1.00 0.00 H new ATOM 0 HD11 LEU A 10 43.028 29.157 16.045 1.00 0.00 H new ATOM 0 HD12 LEU A 10 41.617 29.382 14.983 1.00 0.00 H new ATOM 0 HD13 LEU A 10 42.573 30.790 15.502 1.00 0.00 H new ATOM 0 HD21 LEU A 10 42.993 29.839 18.346 1.00 0.00 H new ATOM 0 HD22 LEU A 10 42.548 31.499 17.885 1.00 0.00 H new ATOM 0 HD23 LEU A 10 41.560 30.609 19.068 1.00 0.00 H new ATOM 172 N PRO A 11 36.783 28.991 16.912 1.00 0.00 N ATOM 173 CA PRO A 11 36.047 27.863 16.330 1.00 0.00 C ATOM 174 C PRO A 11 35.774 28.006 14.813 1.00 0.00 C ATOM 175 O PRO A 11 34.651 27.890 14.327 1.00 0.00 O ATOM 176 CB PRO A 11 34.795 27.715 17.201 1.00 0.00 C ATOM 177 CG PRO A 11 34.508 29.148 17.635 1.00 0.00 C ATOM 178 CD PRO A 11 35.916 29.709 17.844 1.00 0.00 C ATOM 0 HA PRO A 11 36.637 26.946 16.348 1.00 0.00 H new ATOM 0 HB2 PRO A 11 33.962 27.288 16.642 1.00 0.00 H new ATOM 0 HB3 PRO A 11 34.973 27.062 18.056 1.00 0.00 H new ATOM 0 HG2 PRO A 11 33.958 29.702 16.874 1.00 0.00 H new ATOM 0 HG3 PRO A 11 33.915 29.186 18.549 1.00 0.00 H new ATOM 0 HD2 PRO A 11 35.940 30.781 17.651 1.00 0.00 H new ATOM 0 HD3 PRO A 11 36.245 29.563 18.873 1.00 0.00 H new ATOM 186 N LEU A 12 36.851 28.191 14.045 1.00 0.00 N ATOM 187 CA LEU A 12 36.947 28.159 12.583 1.00 0.00 C ATOM 188 C LEU A 12 36.767 26.747 12.000 1.00 0.00 C ATOM 189 O LEU A 12 36.768 26.593 10.779 1.00 0.00 O ATOM 190 CB LEU A 12 38.321 28.747 12.190 1.00 0.00 C ATOM 191 CG LEU A 12 38.458 30.260 12.449 1.00 0.00 C ATOM 192 CD1 LEU A 12 39.929 30.668 12.469 1.00 0.00 C ATOM 193 CD2 LEU A 12 37.779 31.078 11.352 1.00 0.00 C ATOM 0 H LEU A 12 37.759 28.384 14.468 1.00 0.00 H new ATOM 0 HA LEU A 12 36.134 28.752 12.164 1.00 0.00 H new ATOM 0 HB2 LEU A 12 39.100 28.223 12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 12 38.497 28.553 11.132 1.00 0.00 H new ATOM 0 HG LEU A 12 37.984 30.457 13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 12 40.007 31.740 12.653 1.00 0.00 H new ATOM 0 HD12 LEU A 12 40.446 30.125 13.260 1.00 0.00 H new ATOM 0 HD13 LEU A 12 40.385 30.431 11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 12 37.895 32.141 11.566 1.00 0.00 H new ATOM 0 HD22 LEU A 12 38.239 30.849 10.390 1.00 0.00 H new ATOM 0 HD23 LEU A 12 36.719 30.829 11.316 1.00 0.00 H new ATOM 205 N LYS A 13 36.596 25.723 12.843 1.00 0.00 N ATOM 206 CA LYS A 13 36.453 24.310 12.469 1.00 0.00 C ATOM 207 C LYS A 13 35.243 23.667 13.149 1.00 0.00 C ATOM 208 O LYS A 13 34.876 24.067 14.251 1.00 0.00 O ATOM 209 CB LYS A 13 37.743 23.547 12.817 1.00 0.00 C ATOM 210 CG LYS A 13 38.991 24.033 12.062 1.00 0.00 C ATOM 211 CD LYS A 13 38.912 23.780 10.551 1.00 0.00 C ATOM 212 CE LYS A 13 40.221 24.235 9.905 1.00 0.00 C ATOM 213 NZ LYS A 13 40.284 23.867 8.474 1.00 0.00 N ATOM 0 H LYS A 13 36.551 25.862 13.852 1.00 0.00 H new ATOM 0 HA LYS A 13 36.285 24.257 11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.924 23.634 13.888 1.00 0.00 H new ATOM 0 HB3 LYS A 13 37.593 22.489 12.604 1.00 0.00 H new ATOM 0 HG2 LYS A 13 39.124 25.100 12.240 1.00 0.00 H new ATOM 0 HG3 LYS A 13 39.871 23.531 12.464 1.00 0.00 H new ATOM 0 HD2 LYS A 13 38.742 22.721 10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 13 38.070 24.323 10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 13 40.320 25.316 10.007 1.00 0.00 H new ATOM 0 HE3 LYS A 13 41.062 23.786 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 41.186 24.192 8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 40.215 22.834 8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 39.496 24.316 7.965 1.00 0.00 H new ATOM 227 N ASN A 14 34.663 22.677 12.469 1.00 0.00 N ATOM 228 CA ASN A 14 33.443 21.918 12.777 1.00 0.00 C ATOM 229 C ASN A 14 32.892 22.105 14.205 1.00 0.00 C ATOM 230 O ASN A 14 33.299 21.415 15.145 1.00 0.00 O ATOM 231 CB ASN A 14 33.715 20.433 12.476 1.00 0.00 C ATOM 232 CG ASN A 14 33.969 20.186 11.003 1.00 0.00 C ATOM 233 OD1 ASN A 14 35.096 20.238 10.528 1.00 0.00 O ATOM 234 ND2 ASN A 14 32.943 19.983 10.215 1.00 0.00 N ATOM 0 H ASN A 14 35.078 22.350 11.596 1.00 0.00 H new ATOM 0 HA ASN A 14 32.651 22.316 12.142 1.00 0.00 H new ATOM 0 HB2 ASN A 14 34.577 20.099 13.053 1.00 0.00 H new ATOM 0 HB3 ASN A 14 32.863 19.836 12.801 1.00 0.00 H new ATOM 0 HD21 ASN A 14 33.085 19.869 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 14 32.001 19.939 10.605 1.00 0.00 H new ATOM 241 N VAL A 15 31.919 23.004 14.353 1.00 0.00 N ATOM 242 CA VAL A 15 31.280 23.371 15.623 1.00 0.00 C ATOM 243 C VAL A 15 29.754 23.461 15.473 1.00 0.00 C ATOM 244 O VAL A 15 29.220 23.737 14.393 1.00 0.00 O ATOM 245 CB VAL A 15 31.914 24.671 16.168 1.00 0.00 C ATOM 246 CG1 VAL A 15 31.560 25.901 15.320 1.00 0.00 C ATOM 247 CG2 VAL A 15 31.559 24.904 17.641 1.00 0.00 C ATOM 0 H VAL A 15 31.537 23.519 13.560 1.00 0.00 H new ATOM 0 HA VAL A 15 31.459 22.587 16.359 1.00 0.00 H new ATOM 0 HB VAL A 15 32.993 24.532 16.099 1.00 0.00 H new ATOM 0 HG11 VAL A 15 32.031 26.786 15.748 1.00 0.00 H new ATOM 0 HG12 VAL A 15 31.919 25.756 14.301 1.00 0.00 H new ATOM 0 HG13 VAL A 15 30.478 26.036 15.308 1.00 0.00 H new ATOM 0 HG21 VAL A 15 32.024 25.828 17.986 1.00 0.00 H new ATOM 0 HG22 VAL A 15 30.477 24.981 17.747 1.00 0.00 H new ATOM 0 HG23 VAL A 15 31.923 24.069 18.240 1.00 0.00 H new ATOM 257 N SER A 16 29.041 23.213 16.567 1.00 0.00 N ATOM 258 CA SER A 16 27.580 23.262 16.687 1.00 0.00 C ATOM 259 C SER A 16 27.172 23.938 17.995 1.00 0.00 C ATOM 260 O SER A 16 27.999 24.110 18.899 1.00 0.00 O ATOM 261 CB SER A 16 27.003 21.842 16.634 1.00 0.00 C ATOM 262 OG SER A 16 27.465 21.084 17.733 1.00 0.00 O ATOM 0 H SER A 16 29.489 22.957 17.447 1.00 0.00 H new ATOM 0 HA SER A 16 27.183 23.843 15.855 1.00 0.00 H new ATOM 0 HB2 SER A 16 25.914 21.884 16.645 1.00 0.00 H new ATOM 0 HB3 SER A 16 27.294 21.358 15.702 1.00 0.00 H new ATOM 0 HG SER A 16 27.088 20.180 17.689 1.00 0.00 H new ATOM 268 N LYS A 17 25.891 24.305 18.133 1.00 0.00 N ATOM 269 CA LYS A 17 25.349 24.902 19.365 1.00 0.00 C ATOM 270 C LYS A 17 25.600 24.018 20.597 1.00 0.00 C ATOM 271 O LYS A 17 25.743 24.542 21.696 1.00 0.00 O ATOM 272 CB LYS A 17 23.855 25.195 19.147 1.00 0.00 C ATOM 273 CG LYS A 17 23.245 26.063 20.257 1.00 0.00 C ATOM 274 CD LYS A 17 21.775 26.421 20.000 1.00 0.00 C ATOM 275 CE LYS A 17 21.605 27.441 18.866 1.00 0.00 C ATOM 276 NZ LYS A 17 20.173 27.744 18.650 1.00 0.00 N ATOM 0 H LYS A 17 25.198 24.197 17.392 1.00 0.00 H new ATOM 0 HA LYS A 17 25.869 25.837 19.574 1.00 0.00 H new ATOM 0 HB2 LYS A 17 23.725 25.697 18.188 1.00 0.00 H new ATOM 0 HB3 LYS A 17 23.310 24.253 19.090 1.00 0.00 H new ATOM 0 HG2 LYS A 17 23.324 25.535 21.208 1.00 0.00 H new ATOM 0 HG3 LYS A 17 23.825 26.981 20.353 1.00 0.00 H new ATOM 0 HD2 LYS A 17 21.222 25.515 19.754 1.00 0.00 H new ATOM 0 HD3 LYS A 17 21.338 26.823 20.914 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.144 28.357 19.109 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.042 27.049 17.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 20.077 28.436 17.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 19.668 26.871 18.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.766 28.139 19.522 1.00 0.00 H new ATOM 290 N GLU A 18 25.761 22.707 20.404 1.00 0.00 N ATOM 291 CA GLU A 18 26.045 21.725 21.454 1.00 0.00 C ATOM 292 C GLU A 18 27.389 21.964 22.156 1.00 0.00 C ATOM 293 O GLU A 18 27.541 21.609 23.326 1.00 0.00 O ATOM 294 CB GLU A 18 26.022 20.318 20.827 1.00 0.00 C ATOM 295 CG GLU A 18 25.809 19.183 21.838 1.00 0.00 C ATOM 296 CD GLU A 18 24.472 19.279 22.580 1.00 0.00 C ATOM 297 OE1 GLU A 18 23.439 19.549 21.920 1.00 0.00 O ATOM 298 OE2 GLU A 18 24.461 19.085 23.821 1.00 0.00 O ATOM 0 H GLU A 18 25.695 22.284 19.478 1.00 0.00 H new ATOM 0 HA GLU A 18 25.277 21.826 22.221 1.00 0.00 H new ATOM 0 HB2 GLU A 18 25.229 20.278 20.080 1.00 0.00 H new ATOM 0 HB3 GLU A 18 26.963 20.151 20.302 1.00 0.00 H new ATOM 0 HG2 GLU A 18 25.860 18.227 21.317 1.00 0.00 H new ATOM 0 HG3 GLU A 18 26.622 19.195 22.564 1.00 0.00 H new ATOM 305 N ASP A 19 28.367 22.578 21.481 1.00 0.00 N ATOM 306 CA ASP A 19 29.650 22.947 22.086 1.00 0.00 C ATOM 307 C ASP A 19 29.494 24.169 22.999 1.00 0.00 C ATOM 308 O ASP A 19 29.848 24.119 24.171 1.00 0.00 O ATOM 309 CB ASP A 19 30.695 23.179 20.991 1.00 0.00 C ATOM 310 CG ASP A 19 32.100 23.259 21.584 1.00 0.00 C ATOM 311 OD1 ASP A 19 32.691 22.190 21.870 1.00 0.00 O ATOM 312 OD2 ASP A 19 32.645 24.374 21.725 1.00 0.00 O ATOM 0 H ASP A 19 28.290 22.833 20.497 1.00 0.00 H new ATOM 0 HA ASP A 19 29.997 22.126 22.713 1.00 0.00 H new ATOM 0 HB2 ASP A 19 30.649 22.370 20.262 1.00 0.00 H new ATOM 0 HB3 ASP A 19 30.469 24.102 20.457 1.00 0.00 H new ATOM 317 N LEU A 20 28.844 25.235 22.531 1.00 0.00 N ATOM 318 CA LEU A 20 28.564 26.396 23.383 1.00 0.00 C ATOM 319 C LEU A 20 27.624 26.023 24.549 1.00 0.00 C ATOM 320 O LEU A 20 27.825 26.490 25.668 1.00 0.00 O ATOM 321 CB LEU A 20 28.034 27.550 22.516 1.00 0.00 C ATOM 322 CG LEU A 20 29.149 28.415 21.896 1.00 0.00 C ATOM 323 CD1 LEU A 20 30.113 27.633 20.995 1.00 0.00 C ATOM 324 CD2 LEU A 20 28.530 29.544 21.075 1.00 0.00 C ATOM 0 H LEU A 20 28.503 25.321 21.574 1.00 0.00 H new ATOM 0 HA LEU A 20 29.486 26.738 23.853 1.00 0.00 H new ATOM 0 HB2 LEU A 20 27.417 27.140 21.717 1.00 0.00 H new ATOM 0 HB3 LEU A 20 27.389 28.184 23.124 1.00 0.00 H new ATOM 0 HG LEU A 20 29.729 28.800 22.735 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.869 28.310 20.596 1.00 0.00 H new ATOM 0 HD12 LEU A 20 30.599 26.849 21.576 1.00 0.00 H new ATOM 0 HD13 LEU A 20 29.558 27.184 20.172 1.00 0.00 H new ATOM 0 HD21 LEU A 20 29.322 30.153 20.639 1.00 0.00 H new ATOM 0 HD22 LEU A 20 27.917 29.121 20.279 1.00 0.00 H new ATOM 0 HD23 LEU A 20 27.909 30.165 21.720 1.00 0.00 H new ATOM 336 N PHE A 21 26.675 25.111 24.321 1.00 0.00 N ATOM 337 CA PHE A 21 25.788 24.563 25.350 1.00 0.00 C ATOM 338 C PHE A 21 26.523 23.656 26.358 1.00 0.00 C ATOM 339 O PHE A 21 26.200 23.703 27.547 1.00 0.00 O ATOM 340 CB PHE A 21 24.627 23.829 24.658 1.00 0.00 C ATOM 341 CG PHE A 21 23.477 23.453 25.574 1.00 0.00 C ATOM 342 CD1 PHE A 21 23.526 22.262 26.318 1.00 0.00 C ATOM 343 CD2 PHE A 21 22.349 24.290 25.680 1.00 0.00 C ATOM 344 CE1 PHE A 21 22.473 21.924 27.185 1.00 0.00 C ATOM 345 CE2 PHE A 21 21.295 23.951 26.546 1.00 0.00 C ATOM 346 CZ PHE A 21 21.361 22.773 27.306 1.00 0.00 C ATOM 0 H PHE A 21 26.498 24.724 23.394 1.00 0.00 H new ATOM 0 HA PHE A 21 25.397 25.388 25.946 1.00 0.00 H new ATOM 0 HB2 PHE A 21 24.243 24.460 23.856 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.014 22.922 24.193 1.00 0.00 H new ATOM 0 HD1 PHE A 21 24.377 21.603 26.223 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.294 25.195 25.094 1.00 0.00 H new ATOM 0 HE1 PHE A 21 22.519 21.010 27.759 1.00 0.00 H new ATOM 0 HE2 PHE A 21 20.434 24.598 26.627 1.00 0.00 H new ATOM 0 HZ PHE A 21 20.558 22.520 27.983 1.00 0.00 H new ATOM 356 N ARG A 22 27.535 22.868 25.940 1.00 0.00 N ATOM 357 CA ARG A 22 28.375 22.114 26.896 1.00 0.00 C ATOM 358 C ARG A 22 29.247 23.058 27.715 1.00 0.00 C ATOM 359 O ARG A 22 29.398 22.818 28.910 1.00 0.00 O ATOM 360 CB ARG A 22 29.161 20.945 26.252 1.00 0.00 C ATOM 361 CG ARG A 22 30.568 21.236 25.695 1.00 0.00 C ATOM 362 CD ARG A 22 31.707 21.165 26.716 1.00 0.00 C ATOM 363 NE ARG A 22 32.087 19.772 26.998 1.00 0.00 N ATOM 364 CZ ARG A 22 33.287 19.341 27.323 1.00 0.00 C ATOM 365 NH1 ARG A 22 34.255 20.157 27.607 1.00 0.00 N ATOM 366 NH2 ARG A 22 33.511 18.062 27.367 1.00 0.00 N ATOM 0 H ARG A 22 27.789 22.737 24.961 1.00 0.00 H new ATOM 0 HA ARG A 22 27.697 21.618 27.591 1.00 0.00 H new ATOM 0 HB2 ARG A 22 29.254 20.155 26.998 1.00 0.00 H new ATOM 0 HB3 ARG A 22 28.556 20.545 25.438 1.00 0.00 H new ATOM 0 HG2 ARG A 22 30.777 20.527 24.894 1.00 0.00 H new ATOM 0 HG3 ARG A 22 30.565 22.230 25.248 1.00 0.00 H new ATOM 0 HD2 ARG A 22 32.572 21.710 26.338 1.00 0.00 H new ATOM 0 HD3 ARG A 22 31.401 21.655 27.640 1.00 0.00 H new ATOM 0 HE ARG A 22 31.348 19.072 26.935 1.00 0.00 H new ATOM 0 HH11 ARG A 22 34.097 21.164 27.582 1.00 0.00 H new ATOM 0 HH12 ARG A 22 35.174 19.791 27.855 1.00 0.00 H new ATOM 0 HH21 ARG A 22 32.761 17.405 27.151 1.00 0.00 H new ATOM 0 HH22 ARG A 22 34.437 17.715 27.617 1.00 0.00 H new ATOM 380 N ILE A 23 29.762 24.134 27.109 1.00 0.00 N ATOM 381 CA ILE A 23 30.507 25.198 27.797 1.00 0.00 C ATOM 382 C ILE A 23 29.593 25.849 28.842 1.00 0.00 C ATOM 383 O ILE A 23 29.676 25.478 30.014 1.00 0.00 O ATOM 384 CB ILE A 23 31.158 26.187 26.796 1.00 0.00 C ATOM 385 CG1 ILE A 23 32.241 25.461 25.966 1.00 0.00 C ATOM 386 CG2 ILE A 23 31.795 27.389 27.522 1.00 0.00 C ATOM 387 CD1 ILE A 23 32.742 26.271 24.763 1.00 0.00 C ATOM 0 H ILE A 23 29.671 24.294 26.106 1.00 0.00 H new ATOM 0 HA ILE A 23 31.357 24.777 28.335 1.00 0.00 H new ATOM 0 HB ILE A 23 30.372 26.559 26.139 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.086 25.228 26.613 1.00 0.00 H new ATOM 0 HG13 ILE A 23 31.839 24.512 25.612 1.00 0.00 H new ATOM 0 HG21 ILE A 23 32.242 28.061 26.790 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.028 27.922 28.084 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.566 27.034 28.206 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.500 25.698 24.229 1.00 0.00 H new ATOM 0 HD12 ILE A 23 31.908 26.482 24.094 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.175 27.209 25.111 1.00 0.00 H new ATOM 399 N PHE A 24 28.688 26.753 28.447 1.00 0.00 N ATOM 400 CA PHE A 24 27.756 27.415 29.365 1.00 0.00 C ATOM 401 C PHE A 24 26.300 27.135 28.961 1.00 0.00 C ATOM 402 O PHE A 24 25.764 27.722 28.026 1.00 0.00 O ATOM 403 CB PHE A 24 27.988 28.939 29.454 1.00 0.00 C ATOM 404 CG PHE A 24 29.283 29.518 30.011 1.00 0.00 C ATOM 405 CD1 PHE A 24 30.334 28.731 30.520 1.00 0.00 C ATOM 406 CD2 PHE A 24 29.420 30.920 30.021 1.00 0.00 C ATOM 407 CE1 PHE A 24 31.542 29.325 30.914 1.00 0.00 C ATOM 408 CE2 PHE A 24 30.611 31.521 30.465 1.00 0.00 C ATOM 409 CZ PHE A 24 31.688 30.719 30.868 1.00 0.00 C ATOM 0 H PHE A 24 28.582 27.047 27.476 1.00 0.00 H new ATOM 0 HA PHE A 24 27.948 26.995 30.353 1.00 0.00 H new ATOM 0 HB2 PHE A 24 27.872 29.336 28.446 1.00 0.00 H new ATOM 0 HB3 PHE A 24 27.175 29.348 30.053 1.00 0.00 H new ATOM 0 HD1 PHE A 24 30.209 27.662 30.608 1.00 0.00 H new ATOM 0 HD2 PHE A 24 28.602 31.539 29.684 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.361 28.708 31.253 1.00 0.00 H new ATOM 0 HE2 PHE A 24 30.696 32.597 30.496 1.00 0.00 H new ATOM 0 HZ PHE A 24 32.628 31.174 31.142 1.00 0.00 H new ATOM 419 N SER A 25 25.624 26.312 29.758 1.00 0.00 N ATOM 420 CA SER A 25 24.158 26.223 29.825 1.00 0.00 C ATOM 421 C SER A 25 23.581 26.170 31.255 1.00 0.00 C ATOM 422 O SER A 25 22.496 26.726 31.438 1.00 0.00 O ATOM 423 CB SER A 25 23.649 25.045 28.989 1.00 0.00 C ATOM 424 OG SER A 25 24.251 23.835 29.401 1.00 0.00 O ATOM 0 H SER A 25 26.090 25.667 30.396 1.00 0.00 H new ATOM 0 HA SER A 25 23.792 27.159 29.403 1.00 0.00 H new ATOM 0 HB2 SER A 25 22.566 24.968 29.085 1.00 0.00 H new ATOM 0 HB3 SER A 25 23.864 25.222 27.935 1.00 0.00 H new ATOM 0 HG SER A 25 25.006 23.628 28.812 1.00 0.00 H new ATOM 430 N PRO A 26 24.247 25.619 32.300 1.00 0.00 N ATOM 431 CA PRO A 26 23.652 25.520 33.638 1.00 0.00 C ATOM 432 C PRO A 26 23.904 26.757 34.518 1.00 0.00 C ATOM 433 O PRO A 26 23.679 26.706 35.729 1.00 0.00 O ATOM 434 CB PRO A 26 24.278 24.261 34.234 1.00 0.00 C ATOM 435 CG PRO A 26 25.711 24.352 33.726 1.00 0.00 C ATOM 436 CD PRO A 26 25.512 24.880 32.305 1.00 0.00 C ATOM 0 HA PRO A 26 22.565 25.468 33.582 1.00 0.00 H new ATOM 0 HB2 PRO A 26 24.230 24.257 35.323 1.00 0.00 H new ATOM 0 HB3 PRO A 26 23.779 23.355 33.890 1.00 0.00 H new ATOM 0 HG2 PRO A 26 26.316 25.027 34.331 1.00 0.00 H new ATOM 0 HG3 PRO A 26 26.209 23.383 33.735 1.00 0.00 H new ATOM 0 HD2 PRO A 26 26.339 25.528 32.014 1.00 0.00 H new ATOM 0 HD3 PRO A 26 25.483 24.059 31.588 1.00 0.00 H new ATOM 444 N TYR A 27 24.416 27.845 33.943 1.00 0.00 N ATOM 445 CA TYR A 27 24.813 29.057 34.656 1.00 0.00 C ATOM 446 C TYR A 27 23.807 30.190 34.432 1.00 0.00 C ATOM 447 O TYR A 27 23.302 30.373 33.323 1.00 0.00 O ATOM 448 CB TYR A 27 26.221 29.486 34.218 1.00 0.00 C ATOM 449 CG TYR A 27 27.295 28.427 34.388 1.00 0.00 C ATOM 450 CD1 TYR A 27 27.890 28.218 35.647 1.00 0.00 C ATOM 451 CD2 TYR A 27 27.742 27.690 33.273 1.00 0.00 C ATOM 452 CE1 TYR A 27 28.925 27.274 35.789 1.00 0.00 C ATOM 453 CE2 TYR A 27 28.768 26.734 33.415 1.00 0.00 C ATOM 454 CZ TYR A 27 29.357 26.520 34.679 1.00 0.00 C ATOM 455 OH TYR A 27 30.335 25.589 34.834 1.00 0.00 O ATOM 0 H TYR A 27 24.570 27.908 32.937 1.00 0.00 H new ATOM 0 HA TYR A 27 24.827 28.837 35.723 1.00 0.00 H new ATOM 0 HB2 TYR A 27 26.185 29.781 33.169 1.00 0.00 H new ATOM 0 HB3 TYR A 27 26.509 30.369 34.788 1.00 0.00 H new ATOM 0 HD1 TYR A 27 27.552 28.782 36.504 1.00 0.00 H new ATOM 0 HD2 TYR A 27 27.296 27.859 32.304 1.00 0.00 H new ATOM 0 HE1 TYR A 27 29.390 27.127 36.753 1.00 0.00 H new ATOM 0 HE2 TYR A 27 29.102 26.167 32.559 1.00 0.00 H new ATOM 0 HH TYR A 27 30.965 25.888 35.523 1.00 0.00 H new ATOM 465 N GLY A 28 23.552 30.983 35.472 1.00 0.00 N ATOM 466 CA GLY A 28 22.798 32.233 35.381 1.00 0.00 C ATOM 467 C GLY A 28 21.326 32.066 35.011 1.00 0.00 C ATOM 468 O GLY A 28 20.746 30.989 35.166 1.00 0.00 O ATOM 0 H GLY A 28 23.869 30.771 36.418 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.861 32.750 36.339 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.274 32.875 34.640 1.00 0.00 H new ATOM 472 N HIS A 29 20.709 33.153 34.544 1.00 0.00 N ATOM 473 CA HIS A 29 19.271 33.222 34.260 1.00 0.00 C ATOM 474 C HIS A 29 18.933 33.033 32.772 1.00 0.00 C ATOM 475 O HIS A 29 17.758 32.984 32.420 1.00 0.00 O ATOM 476 CB HIS A 29 18.681 34.503 34.874 1.00 0.00 C ATOM 477 CG HIS A 29 17.175 34.491 34.902 1.00 0.00 C ATOM 478 ND1 HIS A 29 16.401 33.395 35.285 1.00 0.00 N ATOM 479 CD2 HIS A 29 16.345 35.506 34.533 1.00 0.00 C ATOM 480 CE1 HIS A 29 15.125 33.774 35.136 1.00 0.00 C ATOM 481 NE2 HIS A 29 15.061 35.037 34.689 1.00 0.00 N ATOM 0 H HIS A 29 21.201 34.025 34.349 1.00 0.00 H new ATOM 0 HA HIS A 29 18.788 32.372 34.741 1.00 0.00 H new ATOM 0 HB2 HIS A 29 19.059 34.622 35.889 1.00 0.00 H new ATOM 0 HB3 HIS A 29 19.023 35.366 34.303 1.00 0.00 H new ATOM 0 HD2 HIS A 29 16.637 36.486 34.186 1.00 0.00 H new ATOM 0 HE1 HIS A 29 14.268 33.151 35.346 1.00 0.00 H new ATOM 0 HE2 HIS A 29 14.207 35.560 34.497 1.00 0.00 H new ATOM 489 N ILE A 30 19.951 32.852 31.920 1.00 0.00 N ATOM 490 CA ILE A 30 19.857 32.429 30.509 1.00 0.00 C ATOM 491 C ILE A 30 19.115 33.404 29.573 1.00 0.00 C ATOM 492 O ILE A 30 18.338 34.249 30.003 1.00 0.00 O ATOM 493 CB ILE A 30 19.349 30.956 30.437 1.00 0.00 C ATOM 494 CG1 ILE A 30 20.315 30.044 29.661 1.00 0.00 C ATOM 495 CG2 ILE A 30 17.939 30.801 29.838 1.00 0.00 C ATOM 496 CD1 ILE A 30 21.619 29.782 30.423 1.00 0.00 C ATOM 0 H ILE A 30 20.917 33.004 32.209 1.00 0.00 H new ATOM 0 HA ILE A 30 20.866 32.464 30.098 1.00 0.00 H new ATOM 0 HB ILE A 30 19.302 30.647 31.481 1.00 0.00 H new ATOM 0 HG12 ILE A 30 19.823 29.094 29.453 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.546 30.501 28.699 1.00 0.00 H new ATOM 0 HG21 ILE A 30 17.663 29.747 29.825 1.00 0.00 H new ATOM 0 HG22 ILE A 30 17.223 31.356 30.444 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.931 31.191 28.820 1.00 0.00 H new ATOM 0 HD11 ILE A 30 22.263 29.133 29.830 1.00 0.00 H new ATOM 0 HD12 ILE A 30 22.128 30.728 30.608 1.00 0.00 H new ATOM 0 HD13 ILE A 30 21.394 29.299 31.374 1.00 0.00 H new ATOM 508 N MET A 31 19.377 33.300 28.269 1.00 0.00 N ATOM 509 CA MET A 31 18.532 33.857 27.200 1.00 0.00 C ATOM 510 C MET A 31 18.708 32.993 25.935 1.00 0.00 C ATOM 511 O MET A 31 17.895 32.097 25.705 1.00 0.00 O ATOM 512 CB MET A 31 18.791 35.365 26.955 1.00 0.00 C ATOM 513 CG MET A 31 17.862 36.334 27.697 1.00 0.00 C ATOM 514 SD MET A 31 18.094 38.079 27.242 1.00 0.00 S ATOM 515 CE MET A 31 19.758 38.433 27.868 1.00 0.00 C ATOM 0 H MET A 31 20.201 32.815 27.914 1.00 0.00 H new ATOM 0 HA MET A 31 17.487 33.815 27.508 1.00 0.00 H new ATOM 0 HB2 MET A 31 19.819 35.588 27.240 1.00 0.00 H new ATOM 0 HB3 MET A 31 18.707 35.559 25.886 1.00 0.00 H new ATOM 0 HG2 MET A 31 16.828 36.052 27.499 1.00 0.00 H new ATOM 0 HG3 MET A 31 18.022 36.225 28.770 1.00 0.00 H new ATOM 0 HE1 MET A 31 19.988 39.487 27.715 1.00 0.00 H new ATOM 0 HE2 MET A 31 19.803 38.203 28.932 1.00 0.00 H new ATOM 0 HE3 MET A 31 20.485 37.822 27.334 1.00 0.00 H new ATOM 525 N GLN A 32 19.789 33.181 25.165 1.00 0.00 N ATOM 526 CA GLN A 32 20.067 32.471 23.907 1.00 0.00 C ATOM 527 C GLN A 32 21.547 32.107 23.674 1.00 0.00 C ATOM 528 O GLN A 32 22.463 32.744 24.193 1.00 0.00 O ATOM 529 CB GLN A 32 19.548 33.298 22.715 1.00 0.00 C ATOM 530 CG GLN A 32 18.028 33.186 22.524 1.00 0.00 C ATOM 531 CD GLN A 32 17.624 31.779 22.093 1.00 0.00 C ATOM 532 OE1 GLN A 32 17.344 30.905 22.907 1.00 0.00 O ATOM 533 NE2 GLN A 32 17.649 31.489 20.813 1.00 0.00 N ATOM 0 H GLN A 32 20.517 33.852 25.408 1.00 0.00 H new ATOM 0 HA GLN A 32 19.540 31.520 23.991 1.00 0.00 H new ATOM 0 HB2 GLN A 32 19.814 34.345 22.863 1.00 0.00 H new ATOM 0 HB3 GLN A 32 20.048 32.967 21.805 1.00 0.00 H new ATOM 0 HG2 GLN A 32 17.523 33.442 23.455 1.00 0.00 H new ATOM 0 HG3 GLN A 32 17.700 33.906 21.775 1.00 0.00 H new ATOM 0 HE21 GLN A 32 17.881 32.211 20.131 1.00 0.00 H new ATOM 0 HE22 GLN A 32 17.436 30.542 20.500 1.00 0.00 H new ATOM 542 N ILE A 33 21.774 31.095 22.829 1.00 0.00 N ATOM 543 CA ILE A 33 23.079 30.721 22.264 1.00 0.00 C ATOM 544 C ILE A 33 23.048 30.946 20.746 1.00 0.00 C ATOM 545 O ILE A 33 22.126 30.480 20.078 1.00 0.00 O ATOM 546 CB ILE A 33 23.437 29.256 22.609 1.00 0.00 C ATOM 547 CG1 ILE A 33 23.326 28.994 24.131 1.00 0.00 C ATOM 548 CG2 ILE A 33 24.838 28.925 22.058 1.00 0.00 C ATOM 549 CD1 ILE A 33 23.853 27.631 24.596 1.00 0.00 C ATOM 0 H ILE A 33 21.022 30.487 22.505 1.00 0.00 H new ATOM 0 HA ILE A 33 23.856 31.348 22.702 1.00 0.00 H new ATOM 0 HB ILE A 33 22.719 28.589 22.132 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.871 29.776 24.659 1.00 0.00 H new ATOM 0 HG13 ILE A 33 22.280 29.081 24.424 1.00 0.00 H new ATOM 0 HG21 ILE A 33 25.090 27.893 22.301 1.00 0.00 H new ATOM 0 HG22 ILE A 33 24.843 29.055 20.976 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.573 29.593 22.507 1.00 0.00 H new ATOM 0 HD11 ILE A 33 23.732 27.543 25.676 1.00 0.00 H new ATOM 0 HD12 ILE A 33 23.293 26.837 24.102 1.00 0.00 H new ATOM 0 HD13 ILE A 33 24.909 27.543 24.341 1.00 0.00 H new ATOM 561 N ASN A 34 24.064 31.618 20.197 1.00 0.00 N ATOM 562 CA ASN A 34 24.167 31.974 18.781 1.00 0.00 C ATOM 563 C ASN A 34 25.513 31.498 18.204 1.00 0.00 C ATOM 564 O ASN A 34 26.532 32.192 18.262 1.00 0.00 O ATOM 565 CB ASN A 34 23.919 33.490 18.659 1.00 0.00 C ATOM 566 CG ASN A 34 23.904 33.999 17.230 1.00 0.00 C ATOM 567 OD1 ASN A 34 24.467 35.032 16.904 1.00 0.00 O ATOM 568 ND2 ASN A 34 23.198 33.350 16.338 1.00 0.00 N ATOM 0 H ASN A 34 24.863 31.939 20.744 1.00 0.00 H new ATOM 0 HA ASN A 34 23.413 31.468 18.178 1.00 0.00 H new ATOM 0 HB2 ASN A 34 22.966 33.731 19.130 1.00 0.00 H new ATOM 0 HB3 ASN A 34 24.692 34.020 19.215 1.00 0.00 H new ATOM 0 HD21 ASN A 34 23.124 33.709 15.386 1.00 0.00 H new ATOM 0 HD22 ASN A 34 22.722 32.485 16.595 1.00 0.00 H new ATOM 575 N ILE A 35 25.531 30.269 17.679 1.00 0.00 N ATOM 576 CA ILE A 35 26.751 29.639 17.165 1.00 0.00 C ATOM 577 C ILE A 35 27.096 30.197 15.775 1.00 0.00 C ATOM 578 O ILE A 35 26.211 30.373 14.938 1.00 0.00 O ATOM 579 CB ILE A 35 26.638 28.092 17.219 1.00 0.00 C ATOM 580 CG1 ILE A 35 27.935 27.398 17.689 1.00 0.00 C ATOM 581 CG2 ILE A 35 26.140 27.450 15.914 1.00 0.00 C ATOM 582 CD1 ILE A 35 29.262 27.909 17.122 1.00 0.00 C ATOM 0 H ILE A 35 24.700 29.683 17.598 1.00 0.00 H new ATOM 0 HA ILE A 35 27.594 29.892 17.808 1.00 0.00 H new ATOM 0 HB ILE A 35 25.870 27.923 17.974 1.00 0.00 H new ATOM 0 HG12 ILE A 35 27.982 27.476 18.775 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.854 26.338 17.449 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.090 26.368 16.037 1.00 0.00 H new ATOM 0 HG22 ILE A 35 25.148 27.834 15.675 1.00 0.00 H new ATOM 0 HG23 ILE A 35 26.828 27.692 15.104 1.00 0.00 H new ATOM 0 HD11 ILE A 35 30.084 27.329 17.541 1.00 0.00 H new ATOM 0 HD12 ILE A 35 29.259 27.804 16.037 1.00 0.00 H new ATOM 0 HD13 ILE A 35 29.389 28.959 17.384 1.00 0.00 H new ATOM 594 N LYS A 36 28.381 30.453 15.522 1.00 0.00 N ATOM 595 CA LYS A 36 28.940 30.904 14.241 1.00 0.00 C ATOM 596 C LYS A 36 30.181 30.069 13.927 1.00 0.00 C ATOM 597 O LYS A 36 30.923 29.713 14.840 1.00 0.00 O ATOM 598 CB LYS A 36 29.306 32.398 14.301 1.00 0.00 C ATOM 599 CG LYS A 36 28.228 33.355 14.845 1.00 0.00 C ATOM 600 CD LYS A 36 26.973 33.431 13.968 1.00 0.00 C ATOM 601 CE LYS A 36 27.211 34.281 12.721 1.00 0.00 C ATOM 602 NZ LYS A 36 26.094 34.109 11.769 1.00 0.00 N ATOM 0 H LYS A 36 29.098 30.347 16.240 1.00 0.00 H new ATOM 0 HA LYS A 36 28.195 30.774 13.456 1.00 0.00 H new ATOM 0 HB2 LYS A 36 30.198 32.505 14.918 1.00 0.00 H new ATOM 0 HB3 LYS A 36 29.573 32.723 13.296 1.00 0.00 H new ATOM 0 HG2 LYS A 36 27.942 33.034 15.847 1.00 0.00 H new ATOM 0 HG3 LYS A 36 28.655 34.353 14.940 1.00 0.00 H new ATOM 0 HD2 LYS A 36 26.673 32.426 13.672 1.00 0.00 H new ATOM 0 HD3 LYS A 36 26.150 33.852 14.545 1.00 0.00 H new ATOM 0 HE2 LYS A 36 27.304 35.331 12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 36 28.150 33.992 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 26.265 34.691 10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 26.025 33.109 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 25.205 34.406 12.220 1.00 0.00 H new ATOM 616 N ASN A 37 30.432 29.789 12.654 1.00 0.00 N ATOM 617 CA ASN A 37 31.430 28.822 12.175 1.00 0.00 C ATOM 618 C ASN A 37 32.858 29.421 12.095 1.00 0.00 C ATOM 619 O ASN A 37 33.690 28.989 11.288 1.00 0.00 O ATOM 620 CB ASN A 37 30.932 28.240 10.835 1.00 0.00 C ATOM 621 CG ASN A 37 29.525 27.654 10.848 1.00 0.00 C ATOM 622 OD1 ASN A 37 28.862 27.470 11.865 1.00 0.00 O ATOM 623 ND2 ASN A 37 29.004 27.329 9.693 1.00 0.00 N ATOM 0 H ASN A 37 29.930 30.244 11.892 1.00 0.00 H new ATOM 0 HA ASN A 37 31.528 28.011 12.897 1.00 0.00 H new ATOM 0 HB2 ASN A 37 30.970 29.027 10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 37 31.626 27.462 10.518 1.00 0.00 H new ATOM 0 HD21 ASN A 37 28.065 26.932 9.651 1.00 0.00 H new ATOM 0 HD22 ASN A 37 29.536 27.473 8.835 1.00 0.00 H new ATOM 630 N ALA A 38 33.115 30.455 12.901 1.00 0.00 N ATOM 631 CA ALA A 38 34.391 31.146 13.048 1.00 0.00 C ATOM 632 C ALA A 38 34.605 31.591 14.502 1.00 0.00 C ATOM 633 O ALA A 38 35.575 31.176 15.129 1.00 0.00 O ATOM 634 CB ALA A 38 34.438 32.324 12.064 1.00 0.00 C ATOM 0 H ALA A 38 32.393 30.852 13.502 1.00 0.00 H new ATOM 0 HA ALA A 38 35.210 30.468 12.809 1.00 0.00 H new ATOM 0 HB1 ALA A 38 35.389 32.847 12.167 1.00 0.00 H new ATOM 0 HB2 ALA A 38 34.338 31.951 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 38 33.621 33.012 12.281 1.00 0.00 H new ATOM 640 N PHE A 39 33.669 32.375 15.049 1.00 0.00 N ATOM 641 CA PHE A 39 33.629 32.793 16.454 1.00 0.00 C ATOM 642 C PHE A 39 32.178 32.832 16.953 1.00 0.00 C ATOM 643 O PHE A 39 31.434 33.768 16.656 1.00 0.00 O ATOM 644 CB PHE A 39 34.293 34.167 16.614 1.00 0.00 C ATOM 645 CG PHE A 39 35.790 34.165 16.379 1.00 0.00 C ATOM 646 CD1 PHE A 39 36.292 34.317 15.074 1.00 0.00 C ATOM 647 CD2 PHE A 39 36.684 33.981 17.451 1.00 0.00 C ATOM 648 CE1 PHE A 39 37.675 34.267 14.841 1.00 0.00 C ATOM 649 CE2 PHE A 39 38.071 33.968 17.221 1.00 0.00 C ATOM 650 CZ PHE A 39 38.567 34.097 15.912 1.00 0.00 C ATOM 0 H PHE A 39 32.891 32.749 14.506 1.00 0.00 H new ATOM 0 HA PHE A 39 34.181 32.070 17.055 1.00 0.00 H new ATOM 0 HB2 PHE A 39 33.828 34.866 15.918 1.00 0.00 H new ATOM 0 HB3 PHE A 39 34.095 34.539 17.619 1.00 0.00 H new ATOM 0 HD1 PHE A 39 35.612 34.472 14.250 1.00 0.00 H new ATOM 0 HD2 PHE A 39 36.303 33.849 18.453 1.00 0.00 H new ATOM 0 HE1 PHE A 39 38.055 34.360 13.834 1.00 0.00 H new ATOM 0 HE2 PHE A 39 38.755 33.859 18.050 1.00 0.00 H new ATOM 0 HZ PHE A 39 39.631 34.065 15.731 1.00 0.00 H new ATOM 660 N GLY A 40 31.764 31.799 17.692 1.00 0.00 N ATOM 661 CA GLY A 40 30.427 31.706 18.281 1.00 0.00 C ATOM 662 C GLY A 40 30.229 32.602 19.508 1.00 0.00 C ATOM 663 O GLY A 40 31.189 32.943 20.202 1.00 0.00 O ATOM 0 H GLY A 40 32.356 30.995 17.900 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.688 31.972 17.525 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.236 30.671 18.564 1.00 0.00 H new ATOM 667 N PHE A 41 28.968 32.943 19.791 1.00 0.00 N ATOM 668 CA PHE A 41 28.574 33.806 20.905 1.00 0.00 C ATOM 669 C PHE A 41 27.437 33.207 21.741 1.00 0.00 C ATOM 670 O PHE A 41 26.572 32.475 21.261 1.00 0.00 O ATOM 671 CB PHE A 41 28.180 35.200 20.386 1.00 0.00 C ATOM 672 CG PHE A 41 29.358 36.080 20.013 1.00 0.00 C ATOM 673 CD1 PHE A 41 30.040 35.877 18.802 1.00 0.00 C ATOM 674 CD2 PHE A 41 29.775 37.113 20.876 1.00 0.00 C ATOM 675 CE1 PHE A 41 31.133 36.688 18.460 1.00 0.00 C ATOM 676 CE2 PHE A 41 30.849 37.947 20.514 1.00 0.00 C ATOM 677 CZ PHE A 41 31.525 37.742 19.299 1.00 0.00 C ATOM 0 H PHE A 41 28.175 32.618 19.238 1.00 0.00 H new ATOM 0 HA PHE A 41 29.439 33.895 21.562 1.00 0.00 H new ATOM 0 HB2 PHE A 41 27.538 35.082 19.513 1.00 0.00 H new ATOM 0 HB3 PHE A 41 27.590 35.706 21.150 1.00 0.00 H new ATOM 0 HD1 PHE A 41 29.722 35.093 18.131 1.00 0.00 H new ATOM 0 HD2 PHE A 41 29.269 37.265 21.818 1.00 0.00 H new ATOM 0 HE1 PHE A 41 31.676 36.500 17.545 1.00 0.00 H new ATOM 0 HE2 PHE A 41 31.155 38.747 21.172 1.00 0.00 H new ATOM 0 HZ PHE A 41 32.340 38.391 19.013 1.00 0.00 H new ATOM 687 N ILE A 42 27.415 33.582 23.013 1.00 0.00 N ATOM 688 CA ILE A 42 26.323 33.354 23.961 1.00 0.00 C ATOM 689 C ILE A 42 25.742 34.714 24.367 1.00 0.00 C ATOM 690 O ILE A 42 26.473 35.697 24.460 1.00 0.00 O ATOM 691 CB ILE A 42 26.858 32.494 25.128 1.00 0.00 C ATOM 692 CG1 ILE A 42 26.844 31.013 24.703 1.00 0.00 C ATOM 693 CG2 ILE A 42 26.102 32.722 26.444 1.00 0.00 C ATOM 694 CD1 ILE A 42 27.391 30.039 25.749 1.00 0.00 C ATOM 0 H ILE A 42 28.198 34.080 23.437 1.00 0.00 H new ATOM 0 HA ILE A 42 25.496 32.790 23.529 1.00 0.00 H new ATOM 0 HB ILE A 42 27.882 32.803 25.338 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.820 30.728 24.463 1.00 0.00 H new ATOM 0 HG13 ILE A 42 27.427 30.907 23.788 1.00 0.00 H new ATOM 0 HG21 ILE A 42 26.527 32.088 27.222 1.00 0.00 H new ATOM 0 HG22 ILE A 42 26.191 33.768 26.738 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.050 32.472 26.307 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.341 29.022 25.360 1.00 0.00 H new ATOM 0 HD12 ILE A 42 28.427 30.291 25.974 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.795 30.110 26.659 1.00 0.00 H new ATOM 706 N GLN A 43 24.432 34.776 24.600 1.00 0.00 N ATOM 707 CA GLN A 43 23.665 35.987 24.907 1.00 0.00 C ATOM 708 C GLN A 43 22.725 35.669 26.080 1.00 0.00 C ATOM 709 O GLN A 43 21.627 35.176 25.853 1.00 0.00 O ATOM 710 CB GLN A 43 22.864 36.385 23.646 1.00 0.00 C ATOM 711 CG GLN A 43 23.723 36.921 22.484 1.00 0.00 C ATOM 712 CD GLN A 43 24.249 38.334 22.709 1.00 0.00 C ATOM 713 OE1 GLN A 43 23.915 39.018 23.667 1.00 0.00 O ATOM 714 NE2 GLN A 43 25.075 38.838 21.822 1.00 0.00 N ATOM 0 H GLN A 43 23.845 33.942 24.579 1.00 0.00 H new ATOM 0 HA GLN A 43 24.314 36.817 25.187 1.00 0.00 H new ATOM 0 HB2 GLN A 43 22.305 35.517 23.297 1.00 0.00 H new ATOM 0 HB3 GLN A 43 22.133 37.145 23.921 1.00 0.00 H new ATOM 0 HG2 GLN A 43 24.567 36.249 22.329 1.00 0.00 H new ATOM 0 HG3 GLN A 43 23.131 36.905 21.569 1.00 0.00 H new ATOM 0 HE21 GLN A 43 25.363 38.280 21.018 1.00 0.00 H new ATOM 0 HE22 GLN A 43 25.429 39.788 21.937 1.00 0.00 H new ATOM 723 N PHE A 44 23.150 35.868 27.332 1.00 0.00 N ATOM 724 CA PHE A 44 22.475 35.372 28.545 1.00 0.00 C ATOM 725 C PHE A 44 22.064 36.475 29.533 1.00 0.00 C ATOM 726 O PHE A 44 22.599 37.580 29.533 1.00 0.00 O ATOM 727 CB PHE A 44 23.356 34.325 29.257 1.00 0.00 C ATOM 728 CG PHE A 44 23.442 32.920 28.675 1.00 0.00 C ATOM 729 CD1 PHE A 44 22.638 32.474 27.603 1.00 0.00 C ATOM 730 CD2 PHE A 44 24.344 32.014 29.266 1.00 0.00 C ATOM 731 CE1 PHE A 44 22.750 31.157 27.123 1.00 0.00 C ATOM 732 CE2 PHE A 44 24.458 30.701 28.779 1.00 0.00 C ATOM 733 CZ PHE A 44 23.666 30.270 27.703 1.00 0.00 C ATOM 0 H PHE A 44 23.999 36.394 27.540 1.00 0.00 H new ATOM 0 HA PHE A 44 21.547 34.915 28.202 1.00 0.00 H new ATOM 0 HB2 PHE A 44 24.369 34.724 29.306 1.00 0.00 H new ATOM 0 HB3 PHE A 44 22.999 34.236 30.283 1.00 0.00 H new ATOM 0 HD1 PHE A 44 21.930 33.151 27.148 1.00 0.00 H new ATOM 0 HD2 PHE A 44 24.953 32.331 30.100 1.00 0.00 H new ATOM 0 HE1 PHE A 44 22.127 30.828 26.304 1.00 0.00 H new ATOM 0 HE2 PHE A 44 25.160 30.019 29.236 1.00 0.00 H new ATOM 0 HZ PHE A 44 23.762 29.263 27.325 1.00 0.00 H new ATOM 743 N ASP A 45 21.117 36.146 30.413 1.00 0.00 N ATOM 744 CA ASP A 45 20.785 36.913 31.616 1.00 0.00 C ATOM 745 C ASP A 45 21.596 36.386 32.829 1.00 0.00 C ATOM 746 O ASP A 45 22.006 35.222 32.853 1.00 0.00 O ATOM 747 CB ASP A 45 19.254 36.864 31.791 1.00 0.00 C ATOM 748 CG ASP A 45 18.680 37.903 32.754 1.00 0.00 C ATOM 749 OD1 ASP A 45 19.392 38.395 33.652 1.00 0.00 O ATOM 750 OD2 ASP A 45 17.485 38.250 32.656 1.00 0.00 O ATOM 0 H ASP A 45 20.541 35.311 30.305 1.00 0.00 H new ATOM 0 HA ASP A 45 21.070 37.961 31.529 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.787 36.998 30.815 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.975 35.871 32.144 1.00 0.00 H new ATOM 755 N ASN A 46 21.794 37.232 33.847 1.00 0.00 N ATOM 756 CA ASN A 46 22.691 37.098 35.005 1.00 0.00 C ATOM 757 C ASN A 46 24.200 37.149 34.636 1.00 0.00 C ATOM 758 O ASN A 46 24.870 36.110 34.629 1.00 0.00 O ATOM 759 CB ASN A 46 22.256 35.889 35.852 1.00 0.00 C ATOM 760 CG ASN A 46 22.938 35.791 37.200 1.00 0.00 C ATOM 761 OD1 ASN A 46 23.925 36.452 37.491 1.00 0.00 O ATOM 762 ND2 ASN A 46 22.427 34.952 38.061 1.00 0.00 N ATOM 0 H ASN A 46 21.281 38.113 33.886 1.00 0.00 H new ATOM 0 HA ASN A 46 22.587 37.980 35.637 1.00 0.00 H new ATOM 0 HB2 ASN A 46 21.178 35.938 36.007 1.00 0.00 H new ATOM 0 HB3 ASN A 46 22.456 34.977 35.290 1.00 0.00 H new ATOM 0 HD21 ASN A 46 22.851 34.845 38.982 1.00 0.00 H new ATOM 0 HD22 ASN A 46 21.604 34.404 37.812 1.00 0.00 H new ATOM 769 N PRO A 47 24.761 38.349 34.357 1.00 0.00 N ATOM 770 CA PRO A 47 26.185 38.535 34.041 1.00 0.00 C ATOM 771 C PRO A 47 27.126 38.048 35.147 1.00 0.00 C ATOM 772 O PRO A 47 28.186 37.509 34.832 1.00 0.00 O ATOM 773 CB PRO A 47 26.384 40.042 33.814 1.00 0.00 C ATOM 774 CG PRO A 47 25.217 40.668 34.566 1.00 0.00 C ATOM 775 CD PRO A 47 24.102 39.647 34.387 1.00 0.00 C ATOM 0 HA PRO A 47 26.435 37.939 33.163 1.00 0.00 H new ATOM 0 HB2 PRO A 47 27.343 40.384 34.203 1.00 0.00 H new ATOM 0 HB3 PRO A 47 26.362 40.295 32.754 1.00 0.00 H new ATOM 0 HG2 PRO A 47 25.454 40.826 35.618 1.00 0.00 H new ATOM 0 HG3 PRO A 47 24.945 41.639 34.152 1.00 0.00 H new ATOM 0 HD2 PRO A 47 23.384 39.703 35.205 1.00 0.00 H new ATOM 0 HD3 PRO A 47 23.549 39.828 33.465 1.00 0.00 H new ATOM 783 N GLN A 48 26.746 38.162 36.428 1.00 0.00 N ATOM 784 CA GLN A 48 27.562 37.640 37.528 1.00 0.00 C ATOM 785 C GLN A 48 27.807 36.137 37.370 1.00 0.00 C ATOM 786 O GLN A 48 28.949 35.698 37.476 1.00 0.00 O ATOM 787 CB GLN A 48 26.907 37.955 38.877 1.00 0.00 C ATOM 788 CG GLN A 48 27.785 37.533 40.064 1.00 0.00 C ATOM 789 CD GLN A 48 27.104 37.748 41.411 1.00 0.00 C ATOM 790 OE1 GLN A 48 26.080 38.414 41.544 1.00 0.00 O ATOM 791 NE2 GLN A 48 27.648 37.192 42.467 1.00 0.00 N ATOM 0 H GLN A 48 25.880 38.611 36.725 1.00 0.00 H new ATOM 0 HA GLN A 48 28.533 38.135 37.497 1.00 0.00 H new ATOM 0 HB2 GLN A 48 26.705 39.024 38.939 1.00 0.00 H new ATOM 0 HB3 GLN A 48 25.946 37.445 38.940 1.00 0.00 H new ATOM 0 HG2 GLN A 48 28.048 36.480 39.959 1.00 0.00 H new ATOM 0 HG3 GLN A 48 28.717 38.098 40.039 1.00 0.00 H new ATOM 0 HE21 GLN A 48 28.498 36.637 42.370 1.00 0.00 H new ATOM 0 HE22 GLN A 48 27.221 37.315 43.385 1.00 0.00 H new ATOM 800 N SER A 49 26.773 35.358 37.044 1.00 0.00 N ATOM 801 CA SER A 49 26.929 33.925 36.786 1.00 0.00 C ATOM 802 C SER A 49 27.637 33.605 35.468 1.00 0.00 C ATOM 803 O SER A 49 28.322 32.589 35.398 1.00 0.00 O ATOM 804 CB SER A 49 25.586 33.220 36.841 1.00 0.00 C ATOM 805 OG SER A 49 25.145 33.133 38.181 1.00 0.00 O ATOM 0 H SER A 49 25.815 35.697 36.952 1.00 0.00 H new ATOM 0 HA SER A 49 27.576 33.552 37.580 1.00 0.00 H new ATOM 0 HB2 SER A 49 24.855 33.764 36.243 1.00 0.00 H new ATOM 0 HB3 SER A 49 25.671 32.222 36.411 1.00 0.00 H new ATOM 0 HG SER A 49 24.277 32.679 38.211 1.00 0.00 H new ATOM 811 N VAL A 50 27.548 34.460 34.442 1.00 0.00 N ATOM 812 CA VAL A 50 28.360 34.317 33.213 1.00 0.00 C ATOM 813 C VAL A 50 29.850 34.515 33.523 1.00 0.00 C ATOM 814 O VAL A 50 30.682 33.731 33.072 1.00 0.00 O ATOM 815 CB VAL A 50 27.884 35.279 32.104 1.00 0.00 C ATOM 816 CG1 VAL A 50 28.750 35.197 30.841 1.00 0.00 C ATOM 817 CG2 VAL A 50 26.447 34.956 31.670 1.00 0.00 C ATOM 0 H VAL A 50 26.920 35.264 34.433 1.00 0.00 H new ATOM 0 HA VAL A 50 28.224 33.303 32.838 1.00 0.00 H new ATOM 0 HB VAL A 50 27.955 36.276 32.540 1.00 0.00 H new ATOM 0 HG11 VAL A 50 28.371 35.894 30.094 1.00 0.00 H new ATOM 0 HG12 VAL A 50 29.780 35.455 31.088 1.00 0.00 H new ATOM 0 HG13 VAL A 50 28.716 34.183 30.442 1.00 0.00 H new ATOM 0 HG21 VAL A 50 26.139 35.650 30.888 1.00 0.00 H new ATOM 0 HG22 VAL A 50 26.403 33.936 31.288 1.00 0.00 H new ATOM 0 HG23 VAL A 50 25.778 35.053 32.525 1.00 0.00 H new ATOM 827 N ARG A 51 30.200 35.508 34.348 1.00 0.00 N ATOM 828 CA ARG A 51 31.574 35.737 34.823 1.00 0.00 C ATOM 829 C ARG A 51 32.053 34.625 35.762 1.00 0.00 C ATOM 830 O ARG A 51 33.159 34.120 35.584 1.00 0.00 O ATOM 831 CB ARG A 51 31.633 37.127 35.476 1.00 0.00 C ATOM 832 CG ARG A 51 32.966 37.462 36.158 1.00 0.00 C ATOM 833 CD ARG A 51 34.213 37.346 35.274 1.00 0.00 C ATOM 834 NE ARG A 51 35.405 37.454 36.122 1.00 0.00 N ATOM 835 CZ ARG A 51 36.657 37.226 35.795 1.00 0.00 C ATOM 836 NH1 ARG A 51 37.066 36.990 34.587 1.00 0.00 N ATOM 837 NH2 ARG A 51 37.556 37.234 36.723 1.00 0.00 N ATOM 0 H ARG A 51 29.530 36.186 34.711 1.00 0.00 H new ATOM 0 HA ARG A 51 32.262 35.710 33.978 1.00 0.00 H new ATOM 0 HB2 ARG A 51 31.432 37.880 34.714 1.00 0.00 H new ATOM 0 HB3 ARG A 51 30.835 37.200 36.215 1.00 0.00 H new ATOM 0 HG2 ARG A 51 32.910 38.480 36.543 1.00 0.00 H new ATOM 0 HG3 ARG A 51 33.089 36.802 37.017 1.00 0.00 H new ATOM 0 HD2 ARG A 51 34.212 36.394 34.743 1.00 0.00 H new ATOM 0 HD3 ARG A 51 34.215 38.132 34.519 1.00 0.00 H new ATOM 0 HE ARG A 51 35.241 37.742 37.087 1.00 0.00 H new ATOM 0 HH11 ARG A 51 36.398 36.973 33.817 1.00 0.00 H new ATOM 0 HH12 ARG A 51 38.056 36.821 34.408 1.00 0.00 H new ATOM 0 HH21 ARG A 51 37.289 37.415 37.691 1.00 0.00 H new ATOM 0 HH22 ARG A 51 38.533 37.059 36.488 1.00 0.00 H new ATOM 851 N ASP A 52 31.218 34.192 36.704 1.00 0.00 N ATOM 852 CA ASP A 52 31.487 33.054 37.592 1.00 0.00 C ATOM 853 C ASP A 52 31.740 31.754 36.806 1.00 0.00 C ATOM 854 O ASP A 52 32.575 30.937 37.195 1.00 0.00 O ATOM 855 CB ASP A 52 30.310 32.891 38.555 1.00 0.00 C ATOM 856 CG ASP A 52 30.469 31.700 39.493 1.00 0.00 C ATOM 857 OD1 ASP A 52 31.503 31.583 40.189 1.00 0.00 O ATOM 858 OD2 ASP A 52 29.540 30.861 39.543 1.00 0.00 O ATOM 0 H ASP A 52 30.314 34.630 36.878 1.00 0.00 H new ATOM 0 HA ASP A 52 32.399 33.257 38.154 1.00 0.00 H new ATOM 0 HB2 ASP A 52 30.203 33.800 39.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 29.391 32.774 37.981 1.00 0.00 H new ATOM 863 N ALA A 53 31.078 31.576 35.661 1.00 0.00 N ATOM 864 CA ALA A 53 31.313 30.451 34.764 1.00 0.00 C ATOM 865 C ALA A 53 32.670 30.537 34.028 1.00 0.00 C ATOM 866 O ALA A 53 33.277 29.501 33.751 1.00 0.00 O ATOM 867 CB ALA A 53 30.118 30.353 33.821 1.00 0.00 C ATOM 0 H ALA A 53 30.357 32.217 35.330 1.00 0.00 H new ATOM 0 HA ALA A 53 31.394 29.530 35.342 1.00 0.00 H new ATOM 0 HB1 ALA A 53 30.263 29.519 33.135 1.00 0.00 H new ATOM 0 HB2 ALA A 53 29.209 30.192 34.401 1.00 0.00 H new ATOM 0 HB3 ALA A 53 30.026 31.278 33.252 1.00 0.00 H new ATOM 873 N ILE A 54 33.223 31.734 33.782 1.00 0.00 N ATOM 874 CA ILE A 54 34.595 31.898 33.253 1.00 0.00 C ATOM 875 C ILE A 54 35.611 31.419 34.295 1.00 0.00 C ATOM 876 O ILE A 54 36.433 30.552 33.998 1.00 0.00 O ATOM 877 CB ILE A 54 34.869 33.351 32.790 1.00 0.00 C ATOM 878 CG1 ILE A 54 33.932 33.710 31.616 1.00 0.00 C ATOM 879 CG2 ILE A 54 36.337 33.557 32.367 1.00 0.00 C ATOM 880 CD1 ILE A 54 34.029 35.165 31.159 1.00 0.00 C ATOM 0 H ILE A 54 32.737 32.617 33.942 1.00 0.00 H new ATOM 0 HA ILE A 54 34.700 31.278 32.363 1.00 0.00 H new ATOM 0 HB ILE A 54 34.675 34.009 33.637 1.00 0.00 H new ATOM 0 HG12 ILE A 54 34.161 33.060 30.772 1.00 0.00 H new ATOM 0 HG13 ILE A 54 32.903 33.501 31.910 1.00 0.00 H new ATOM 0 HG21 ILE A 54 36.483 34.590 32.050 1.00 0.00 H new ATOM 0 HG22 ILE A 54 36.993 33.340 33.210 1.00 0.00 H new ATOM 0 HG23 ILE A 54 36.575 32.887 31.541 1.00 0.00 H new ATOM 0 HD11 ILE A 54 33.339 35.333 30.332 1.00 0.00 H new ATOM 0 HD12 ILE A 54 33.770 35.825 31.987 1.00 0.00 H new ATOM 0 HD13 ILE A 54 35.047 35.376 30.831 1.00 0.00 H new ATOM 892 N GLU A 55 35.506 31.883 35.542 1.00 0.00 N ATOM 893 CA GLU A 55 36.351 31.390 36.643 1.00 0.00 C ATOM 894 C GLU A 55 36.017 29.944 37.079 1.00 0.00 C ATOM 895 O GLU A 55 36.752 29.349 37.868 1.00 0.00 O ATOM 896 CB GLU A 55 36.391 32.402 37.805 1.00 0.00 C ATOM 897 CG GLU A 55 35.018 32.706 38.404 1.00 0.00 C ATOM 898 CD GLU A 55 35.091 33.704 39.561 1.00 0.00 C ATOM 899 OE1 GLU A 55 35.042 34.939 39.336 1.00 0.00 O ATOM 900 OE2 GLU A 55 35.184 33.267 40.730 1.00 0.00 O ATOM 0 H GLU A 55 34.841 32.604 35.820 1.00 0.00 H new ATOM 0 HA GLU A 55 37.368 31.315 36.259 1.00 0.00 H new ATOM 0 HB2 GLU A 55 37.042 32.015 38.589 1.00 0.00 H new ATOM 0 HB3 GLU A 55 36.836 33.331 37.450 1.00 0.00 H new ATOM 0 HG2 GLU A 55 34.366 33.104 37.626 1.00 0.00 H new ATOM 0 HG3 GLU A 55 34.566 31.779 38.756 1.00 0.00 H new ATOM 907 N CYS A 56 34.957 29.334 36.536 1.00 0.00 N ATOM 908 CA CYS A 56 34.678 27.898 36.627 1.00 0.00 C ATOM 909 C CYS A 56 35.406 27.099 35.531 1.00 0.00 C ATOM 910 O CYS A 56 36.070 26.107 35.828 1.00 0.00 O ATOM 911 CB CYS A 56 33.158 27.679 36.542 1.00 0.00 C ATOM 912 SG CYS A 56 32.730 25.996 37.053 1.00 0.00 S ATOM 0 H CYS A 56 34.249 29.842 36.006 1.00 0.00 H new ATOM 0 HA CYS A 56 35.052 27.531 37.583 1.00 0.00 H new ATOM 0 HB2 CYS A 56 32.645 28.400 37.178 1.00 0.00 H new ATOM 0 HB3 CYS A 56 32.816 27.854 35.522 1.00 0.00 H new ATOM 0 HG CYS A 56 33.746 25.210 36.852 1.00 0.00 H new ATOM 918 N GLU A 57 35.282 27.520 34.269 1.00 0.00 N ATOM 919 CA GLU A 57 35.605 26.704 33.089 1.00 0.00 C ATOM 920 C GLU A 57 36.869 27.162 32.350 1.00 0.00 C ATOM 921 O GLU A 57 37.744 26.347 32.058 1.00 0.00 O ATOM 922 CB GLU A 57 34.387 26.731 32.149 1.00 0.00 C ATOM 923 CG GLU A 57 34.497 25.765 30.962 1.00 0.00 C ATOM 924 CD GLU A 57 34.626 24.303 31.400 1.00 0.00 C ATOM 925 OE1 GLU A 57 34.012 23.909 32.421 1.00 0.00 O ATOM 926 OE2 GLU A 57 35.345 23.526 30.724 1.00 0.00 O ATOM 0 H GLU A 57 34.948 28.454 34.032 1.00 0.00 H new ATOM 0 HA GLU A 57 35.823 25.691 33.427 1.00 0.00 H new ATOM 0 HB2 GLU A 57 33.493 26.487 32.722 1.00 0.00 H new ATOM 0 HB3 GLU A 57 34.256 27.744 31.769 1.00 0.00 H new ATOM 0 HG2 GLU A 57 33.617 25.874 30.328 1.00 0.00 H new ATOM 0 HG3 GLU A 57 35.362 26.036 30.357 1.00 0.00 H new ATOM 933 N SER A 58 37.005 28.467 32.087 1.00 0.00 N ATOM 934 CA SER A 58 38.196 29.064 31.452 1.00 0.00 C ATOM 935 C SER A 58 39.430 28.990 32.360 1.00 0.00 C ATOM 936 O SER A 58 40.571 29.042 31.891 1.00 0.00 O ATOM 937 CB SER A 58 37.884 30.525 31.102 1.00 0.00 C ATOM 938 OG SER A 58 38.938 31.169 30.419 1.00 0.00 O ATOM 0 H SER A 58 36.283 29.152 32.311 1.00 0.00 H new ATOM 0 HA SER A 58 38.430 28.497 30.551 1.00 0.00 H new ATOM 0 HB2 SER A 58 36.985 30.561 30.487 1.00 0.00 H new ATOM 0 HB3 SER A 58 37.665 31.073 32.018 1.00 0.00 H new ATOM 0 HG SER A 58 38.683 32.094 30.221 1.00 0.00 H new ATOM 944 N GLN A 59 39.188 28.842 33.664 1.00 0.00 N ATOM 945 CA GLN A 59 40.183 28.755 34.735 1.00 0.00 C ATOM 946 C GLN A 59 40.103 27.410 35.483 1.00 0.00 C ATOM 947 O GLN A 59 40.515 27.320 36.642 1.00 0.00 O ATOM 948 CB GLN A 59 40.056 29.982 35.661 1.00 0.00 C ATOM 949 CG GLN A 59 40.085 31.309 34.876 1.00 0.00 C ATOM 950 CD GLN A 59 40.003 32.564 35.733 1.00 0.00 C ATOM 951 OE1 GLN A 59 40.078 32.549 36.957 1.00 0.00 O ATOM 952 NE2 GLN A 59 39.852 33.706 35.110 1.00 0.00 N ATOM 0 H GLN A 59 38.235 28.776 34.022 1.00 0.00 H new ATOM 0 HA GLN A 59 41.182 28.777 34.300 1.00 0.00 H new ATOM 0 HB2 GLN A 59 39.125 29.915 36.224 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.869 29.973 36.387 1.00 0.00 H new ATOM 0 HG2 GLN A 59 41.003 31.347 34.289 1.00 0.00 H new ATOM 0 HG3 GLN A 59 39.255 31.314 34.170 1.00 0.00 H new ATOM 0 HE21 GLN A 59 39.789 33.727 34.092 1.00 0.00 H new ATOM 0 HE22 GLN A 59 39.798 34.574 35.643 1.00 0.00 H new ATOM 1097 N ILE A 68 39.282 29.854 26.308 1.00 0.00 N ATOM 1098 CA ILE A 68 39.447 31.309 26.363 1.00 0.00 C ATOM 1099 C ILE A 68 38.050 31.895 26.199 1.00 0.00 C ATOM 1100 O ILE A 68 37.470 31.837 25.117 1.00 0.00 O ATOM 1101 CB ILE A 68 40.453 31.804 25.297 1.00 0.00 C ATOM 1102 CG1 ILE A 68 41.848 31.177 25.544 1.00 0.00 C ATOM 1103 CG2 ILE A 68 40.540 33.342 25.326 1.00 0.00 C ATOM 1104 CD1 ILE A 68 42.903 31.559 24.500 1.00 0.00 C ATOM 0 HA ILE A 68 39.877 31.636 27.310 1.00 0.00 H new ATOM 0 HB ILE A 68 40.105 31.493 24.312 1.00 0.00 H new ATOM 0 HG12 ILE A 68 42.201 31.481 26.529 1.00 0.00 H new ATOM 0 HG13 ILE A 68 41.748 30.092 25.563 1.00 0.00 H new ATOM 0 HG21 ILE A 68 41.251 33.681 24.572 1.00 0.00 H new ATOM 0 HG22 ILE A 68 39.558 33.766 25.115 1.00 0.00 H new ATOM 0 HG23 ILE A 68 40.873 33.669 26.311 1.00 0.00 H new ATOM 0 HD11 ILE A 68 43.850 31.078 24.747 1.00 0.00 H new ATOM 0 HD12 ILE A 68 42.575 31.230 23.514 1.00 0.00 H new ATOM 0 HD13 ILE A 68 43.036 32.641 24.496 1.00 0.00 H new ATOM 1116 N LEU A 69 37.490 32.400 27.295 1.00 0.00 N ATOM 1117 CA LEU A 69 36.103 32.856 27.384 1.00 0.00 C ATOM 1118 C LEU A 69 36.095 34.292 27.916 1.00 0.00 C ATOM 1119 O LEU A 69 36.817 34.586 28.872 1.00 0.00 O ATOM 1120 CB LEU A 69 35.300 31.902 28.295 1.00 0.00 C ATOM 1121 CG LEU A 69 35.353 30.402 27.932 1.00 0.00 C ATOM 1122 CD1 LEU A 69 34.577 29.579 28.962 1.00 0.00 C ATOM 1123 CD2 LEU A 69 34.737 30.103 26.566 1.00 0.00 C ATOM 0 H LEU A 69 38.002 32.507 28.171 1.00 0.00 H new ATOM 0 HA LEU A 69 35.629 32.847 26.402 1.00 0.00 H new ATOM 0 HB2 LEU A 69 35.662 32.020 29.317 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.257 32.219 28.287 1.00 0.00 H new ATOM 0 HG LEU A 69 36.410 30.136 27.916 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.623 28.524 28.694 1.00 0.00 H new ATOM 0 HD12 LEU A 69 35.018 29.722 29.949 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.537 29.904 28.979 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.802 29.034 26.364 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.691 30.410 26.564 1.00 0.00 H new ATOM 0 HD23 LEU A 69 35.278 30.652 25.795 1.00 0.00 H new ATOM 1135 N GLU A 70 35.312 35.190 27.319 1.00 0.00 N ATOM 1136 CA GLU A 70 35.239 36.589 27.765 1.00 0.00 C ATOM 1137 C GLU A 70 33.801 37.105 27.877 1.00 0.00 C ATOM 1138 O GLU A 70 32.994 36.916 26.969 1.00 0.00 O ATOM 1139 CB GLU A 70 36.102 37.488 26.861 1.00 0.00 C ATOM 1140 CG GLU A 70 36.193 38.942 27.352 1.00 0.00 C ATOM 1141 CD GLU A 70 36.813 39.048 28.748 1.00 0.00 C ATOM 1142 OE1 GLU A 70 36.111 38.788 29.755 1.00 0.00 O ATOM 1143 OE2 GLU A 70 38.004 39.407 28.878 1.00 0.00 O ATOM 0 H GLU A 70 34.715 34.976 26.520 1.00 0.00 H new ATOM 0 HA GLU A 70 35.645 36.627 28.776 1.00 0.00 H new ATOM 0 HB2 GLU A 70 37.107 37.070 26.799 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.690 37.478 25.852 1.00 0.00 H new ATOM 0 HG2 GLU A 70 36.788 39.524 26.648 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.196 39.381 27.366 1.00 0.00 H new ATOM 1150 N VAL A 71 33.505 37.773 28.997 1.00 0.00 N ATOM 1151 CA VAL A 71 32.189 38.327 29.339 1.00 0.00 C ATOM 1152 C VAL A 71 32.101 39.811 28.983 1.00 0.00 C ATOM 1153 O VAL A 71 33.024 40.595 29.221 1.00 0.00 O ATOM 1154 CB VAL A 71 31.818 38.047 30.811 1.00 0.00 C ATOM 1155 CG1 VAL A 71 32.814 38.638 31.815 1.00 0.00 C ATOM 1156 CG2 VAL A 71 30.409 38.536 31.163 1.00 0.00 C ATOM 0 H VAL A 71 34.203 37.950 29.719 1.00 0.00 H new ATOM 0 HA VAL A 71 31.444 37.814 28.731 1.00 0.00 H new ATOM 0 HB VAL A 71 31.854 36.961 30.895 1.00 0.00 H new ATOM 0 HG11 VAL A 71 32.491 38.403 32.829 1.00 0.00 H new ATOM 0 HG12 VAL A 71 33.802 38.212 31.641 1.00 0.00 H new ATOM 0 HG13 VAL A 71 32.858 39.720 31.690 1.00 0.00 H new ATOM 0 HG21 VAL A 71 30.198 38.315 32.209 1.00 0.00 H new ATOM 0 HG22 VAL A 71 30.346 39.612 31.000 1.00 0.00 H new ATOM 0 HG23 VAL A 71 29.680 38.030 30.531 1.00 0.00 H new ATOM 1166 N SER A 72 30.963 40.188 28.418 1.00 0.00 N ATOM 1167 CA SER A 72 30.630 41.521 27.932 1.00 0.00 C ATOM 1168 C SER A 72 29.157 41.845 28.186 1.00 0.00 C ATOM 1169 O SER A 72 28.365 40.969 28.535 1.00 0.00 O ATOM 1170 CB SER A 72 30.979 41.598 26.440 1.00 0.00 C ATOM 1171 OG SER A 72 32.348 41.926 26.309 1.00 0.00 O ATOM 0 H SER A 72 30.198 39.529 28.277 1.00 0.00 H new ATOM 0 HA SER A 72 31.210 42.268 28.473 1.00 0.00 H new ATOM 0 HB2 SER A 72 30.771 40.645 25.954 1.00 0.00 H new ATOM 0 HB3 SER A 72 30.362 42.349 25.946 1.00 0.00 H new ATOM 0 HG SER A 72 32.835 41.623 27.104 1.00 0.00 H new ATOM 1177 N SER A 73 28.779 43.108 28.007 1.00 0.00 N ATOM 1178 CA SER A 73 27.403 43.595 28.164 1.00 0.00 C ATOM 1179 C SER A 73 27.138 44.710 27.156 1.00 0.00 C ATOM 1180 O SER A 73 27.980 45.598 27.006 1.00 0.00 O ATOM 1181 CB SER A 73 27.193 44.153 29.580 1.00 0.00 C ATOM 1182 OG SER A 73 27.363 43.151 30.568 1.00 0.00 O ATOM 0 H SER A 73 29.435 43.843 27.742 1.00 0.00 H new ATOM 0 HA SER A 73 26.719 42.763 27.996 1.00 0.00 H new ATOM 0 HB2 SER A 73 27.898 44.965 29.760 1.00 0.00 H new ATOM 0 HB3 SER A 73 26.192 44.577 29.660 1.00 0.00 H new ATOM 0 HG SER A 73 27.224 43.541 31.456 1.00 0.00 H new