USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 263 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00443 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.148 F(o=-0.71,f=-0.15) USER MOD Single : A 10 SER OG : rot 28:sc= 0.266 USER MOD Single : A 16 THR OG1 : rot 13:sc= 0.616 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 50:sc= 0.257 USER MOD Single : A 27 GLN : amide:sc= 0.0164 K(o=0.016,f=-0.55) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 120:sc=-0.000517 USER MOD Single : A 34 THR OG1 : rot 150:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -1.85 F(o=-2.6!,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 27.266 30.036 27.673 1.00 0.00 N ATOM 45 CA GLU A 4 26.302 29.929 26.553 1.00 0.00 C ATOM 46 C GLU A 4 26.239 28.545 25.828 1.00 0.00 C ATOM 47 O GLU A 4 27.044 27.650 26.106 1.00 0.00 O ATOM 48 CB GLU A 4 26.463 31.136 25.594 1.00 0.00 C ATOM 49 CG GLU A 4 25.358 32.200 25.726 1.00 0.00 C ATOM 50 CD GLU A 4 25.468 32.998 27.030 1.00 0.00 C ATOM 51 OE1 GLU A 4 25.281 32.398 28.120 1.00 0.00 O ATOM 52 OE2 GLU A 4 25.765 34.212 26.962 1.00 0.00 O ATOM 0 HA GLU A 4 25.312 29.976 27.006 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.429 31.606 25.779 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.479 30.770 24.567 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.413 32.884 24.879 1.00 0.00 H new ATOM 0 HG3 GLU A 4 24.383 31.715 25.681 1.00 0.00 H new ATOM 59 N PRO A 5 25.219 28.294 24.969 1.00 0.00 N ATOM 60 CA PRO A 5 25.050 27.035 24.228 1.00 0.00 C ATOM 61 C PRO A 5 25.718 27.051 22.837 1.00 0.00 C ATOM 62 O PRO A 5 26.158 28.098 22.358 1.00 0.00 O ATOM 63 CB PRO A 5 23.532 26.886 24.096 1.00 0.00 C ATOM 64 CG PRO A 5 23.079 28.328 23.880 1.00 0.00 C ATOM 65 CD PRO A 5 24.038 29.128 24.763 1.00 0.00 C ATOM 0 HA PRO A 5 25.528 26.206 24.749 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.258 26.244 23.259 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.087 26.450 24.991 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.155 28.622 22.833 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.041 28.473 24.178 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.309 30.070 24.285 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.570 29.377 25.715 1.00 0.00 H new ATOM 73 N CYS A 6 25.726 25.900 22.152 1.00 0.00 N ATOM 74 CA CYS A 6 26.324 25.714 20.813 1.00 0.00 C ATOM 75 C CYS A 6 25.511 24.779 19.885 1.00 0.00 C ATOM 76 O CYS A 6 24.692 23.986 20.353 1.00 0.00 O ATOM 77 CB CYS A 6 27.741 25.150 20.988 1.00 0.00 C ATOM 78 SG CYS A 6 27.863 23.717 22.092 1.00 0.00 S ATOM 0 H CYS A 6 25.306 25.046 22.519 1.00 0.00 H new ATOM 0 HA CYS A 6 26.332 26.690 20.328 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.128 24.869 20.008 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.386 25.941 21.371 1.00 0.00 H new ATOM 83 N SER A 7 25.767 24.841 18.571 1.00 0.00 N ATOM 84 CA SER A 7 25.198 23.956 17.541 1.00 0.00 C ATOM 85 C SER A 7 26.117 22.753 17.270 1.00 0.00 C ATOM 86 O SER A 7 25.615 21.648 17.060 1.00 0.00 O ATOM 87 CB SER A 7 25.009 24.705 16.211 1.00 0.00 C ATOM 88 OG SER A 7 24.001 25.699 16.264 1.00 0.00 O ATOM 0 H SER A 7 26.402 25.537 18.179 1.00 0.00 H new ATOM 0 HA SER A 7 24.236 23.614 17.922 1.00 0.00 H new ATOM 0 HB2 SER A 7 25.953 25.170 15.927 1.00 0.00 H new ATOM 0 HB3 SER A 7 24.760 23.987 15.430 1.00 0.00 H new ATOM 0 HG SER A 7 23.930 26.140 15.392 1.00 0.00 H new ATOM 94 N SER A 8 27.444 22.946 17.267 1.00 0.00 N ATOM 95 CA SER A 8 28.484 21.916 17.085 1.00 0.00 C ATOM 96 C SER A 8 29.745 22.194 17.929 1.00 0.00 C ATOM 97 O SER A 8 29.789 23.137 18.708 1.00 0.00 O ATOM 98 CB SER A 8 28.842 21.779 15.599 1.00 0.00 C ATOM 99 OG SER A 8 29.353 20.477 15.346 1.00 0.00 O ATOM 0 H SER A 8 27.845 23.875 17.398 1.00 0.00 H new ATOM 0 HA SER A 8 28.071 20.972 17.441 1.00 0.00 H new ATOM 0 HB2 SER A 8 27.960 21.959 14.985 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.582 22.530 15.323 1.00 0.00 H new ATOM 0 HG SER A 8 29.579 20.393 14.396 1.00 0.00 H new ATOM 105 N ASN A 9 30.779 21.343 17.846 1.00 0.00 N ATOM 106 CA ASN A 9 32.035 21.483 18.614 1.00 0.00 C ATOM 107 C ASN A 9 32.846 22.738 18.290 1.00 0.00 C ATOM 108 O ASN A 9 33.471 23.301 19.184 1.00 0.00 O ATOM 109 CB ASN A 9 32.949 20.253 18.421 1.00 0.00 C ATOM 110 CG ASN A 9 33.008 19.675 17.015 1.00 0.00 C ATOM 111 OD1 ASN A 9 32.081 18.806 16.680 1.00 0.00 O flip ATOM 112 ND2 ASN A 9 33.900 19.958 16.231 1.00 0.00 N flip ATOM 0 H ASN A 9 30.770 20.525 17.236 1.00 0.00 H new ATOM 0 HA ASN A 9 31.705 21.568 19.649 1.00 0.00 H new ATOM 0 HB2 ASN A 9 33.960 20.527 18.722 1.00 0.00 H new ATOM 0 HB3 ASN A 9 32.616 19.468 19.100 1.00 0.00 H new ATOM 0 HD21 ASN A 9 34.617 20.633 16.496 1.00 0.00 H new ATOM 0 HD22 ASN A 9 33.928 19.519 15.311 1.00 0.00 H new ATOM 119 N SER A 10 32.860 23.133 17.023 1.00 0.00 N ATOM 120 CA SER A 10 33.645 24.217 16.417 1.00 0.00 C ATOM 121 C SER A 10 33.284 25.622 16.893 1.00 0.00 C ATOM 122 O SER A 10 34.089 26.550 16.845 1.00 0.00 O ATOM 123 CB SER A 10 33.467 24.051 14.924 1.00 0.00 C ATOM 124 OG SER A 10 32.101 23.861 14.555 1.00 0.00 O ATOM 0 H SER A 10 32.275 22.668 16.329 1.00 0.00 H new ATOM 0 HA SER A 10 34.687 24.132 16.725 1.00 0.00 H new ATOM 0 HB2 SER A 10 33.859 24.931 14.414 1.00 0.00 H new ATOM 0 HB3 SER A 10 34.054 23.198 14.584 1.00 0.00 H new ATOM 0 HG SER A 10 31.521 24.302 15.210 1.00 0.00 H new ATOM 130 N ASP A 11 32.076 25.739 17.410 1.00 0.00 N ATOM 131 CA ASP A 11 31.361 26.916 17.868 1.00 0.00 C ATOM 132 C ASP A 11 31.956 27.584 19.120 1.00 0.00 C ATOM 133 O ASP A 11 31.669 28.758 19.355 1.00 0.00 O ATOM 134 CB ASP A 11 29.940 26.450 18.211 1.00 0.00 C ATOM 135 CG ASP A 11 29.163 25.741 17.088 1.00 0.00 C ATOM 136 OD1 ASP A 11 29.755 25.028 16.236 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.918 25.824 17.157 1.00 0.00 O ATOM 0 H ASP A 11 31.501 24.906 17.534 1.00 0.00 H new ATOM 0 HA ASP A 11 31.412 27.663 17.076 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.999 25.775 19.065 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.363 27.318 18.530 1.00 0.00 H new ATOM 142 N CYS A 12 32.807 26.881 19.884 1.00 0.00 N ATOM 143 CA CYS A 12 33.348 27.333 21.174 1.00 0.00 C ATOM 144 C CYS A 12 34.889 27.307 21.198 1.00 0.00 C ATOM 145 O CYS A 12 35.527 27.602 22.210 1.00 0.00 O ATOM 146 CB CYS A 12 32.799 26.415 22.283 1.00 0.00 C ATOM 147 SG CYS A 12 31.005 26.187 22.487 1.00 0.00 S ATOM 0 H CYS A 12 33.146 25.958 19.614 1.00 0.00 H new ATOM 0 HA CYS A 12 33.039 28.366 21.334 1.00 0.00 H new ATOM 0 HB2 CYS A 12 33.234 25.427 22.128 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.186 26.788 23.231 1.00 0.00 H new ATOM 152 N ILE A 13 35.507 26.944 20.074 1.00 0.00 N ATOM 153 CA ILE A 13 36.921 26.732 19.894 1.00 0.00 C ATOM 154 C ILE A 13 37.707 28.037 19.798 1.00 0.00 C ATOM 155 O ILE A 13 37.376 28.940 19.025 1.00 0.00 O ATOM 156 CB ILE A 13 37.081 25.876 18.634 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.215 24.607 18.768 1.00 0.00 C ATOM 158 CG2 ILE A 13 38.518 25.443 18.595 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.643 23.347 17.999 1.00 0.00 C ATOM 0 H ILE A 13 34.985 26.782 19.212 1.00 0.00 H new ATOM 0 HA ILE A 13 37.335 26.224 20.765 1.00 0.00 H new ATOM 0 HB ILE A 13 36.788 26.433 17.744 1.00 0.00 H new ATOM 0 HG12 ILE A 13 36.164 24.349 19.826 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.203 24.861 18.453 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.688 24.827 17.712 1.00 0.00 H new ATOM 0 HG22 ILE A 13 39.162 26.322 18.554 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.749 24.866 19.490 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.934 22.542 18.196 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.661 23.561 16.930 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.638 23.042 18.325 1.00 0.00 H new ATOM 171 N GLY A 14 38.791 28.122 20.566 1.00 0.00 N ATOM 172 CA GLY A 14 39.739 29.240 20.531 1.00 0.00 C ATOM 173 C GLY A 14 39.260 30.473 21.308 1.00 0.00 C ATOM 174 O GLY A 14 40.064 31.149 21.952 1.00 0.00 O ATOM 0 H GLY A 14 39.042 27.403 21.244 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.693 28.910 20.941 1.00 0.00 H new ATOM 0 HA3 GLY A 14 39.919 29.521 19.493 1.00 0.00 H new ATOM 178 N ILE A 15 37.949 30.746 21.301 1.00 0.00 N ATOM 179 CA ILE A 15 37.323 31.818 22.095 1.00 0.00 C ATOM 180 C ILE A 15 37.556 31.584 23.589 1.00 0.00 C ATOM 181 O ILE A 15 37.619 32.511 24.392 1.00 0.00 O ATOM 182 CB ILE A 15 35.845 32.036 21.691 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.821 30.901 21.889 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.826 32.346 20.194 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.581 30.503 23.344 1.00 0.00 C ATOM 0 H ILE A 15 37.281 30.222 20.736 1.00 0.00 H new ATOM 0 HA ILE A 15 37.808 32.767 21.868 1.00 0.00 H new ATOM 0 HB ILE A 15 35.522 32.820 22.376 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.872 31.206 21.449 1.00 0.00 H new ATOM 0 HG13 ILE A 15 35.160 30.024 21.338 1.00 0.00 H new ATOM 0 HG21 ILE A 15 34.798 32.507 19.869 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.412 33.244 20.001 1.00 0.00 H new ATOM 0 HG23 ILE A 15 36.254 31.508 19.643 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.847 29.699 23.385 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.517 30.163 23.787 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.208 31.363 23.900 1.00 0.00 H new ATOM 197 N THR A 16 37.698 30.314 23.955 1.00 0.00 N ATOM 198 CA THR A 16 38.054 29.741 25.230 1.00 0.00 C ATOM 199 C THR A 16 38.525 28.296 24.957 1.00 0.00 C ATOM 200 O THR A 16 38.246 27.724 23.903 1.00 0.00 O ATOM 201 CB THR A 16 36.822 29.785 26.132 1.00 0.00 C ATOM 202 OG1 THR A 16 36.466 31.108 26.433 1.00 0.00 O ATOM 203 CG2 THR A 16 37.097 29.119 27.452 1.00 0.00 C ATOM 0 H THR A 16 37.544 29.576 23.268 1.00 0.00 H new ATOM 0 HA THR A 16 38.853 30.286 25.732 1.00 0.00 H new ATOM 0 HB THR A 16 36.026 29.275 25.589 1.00 0.00 H new ATOM 0 HG1 THR A 16 36.951 31.720 25.841 1.00 0.00 H new ATOM 0 HG21 THR A 16 36.204 29.164 28.075 1.00 0.00 H new ATOM 0 HG22 THR A 16 37.370 28.077 27.284 1.00 0.00 H new ATOM 0 HG23 THR A 16 37.917 29.632 27.955 1.00 0.00 H new ATOM 211 N LEU A 17 39.227 27.674 25.904 1.00 0.00 N ATOM 212 CA LEU A 17 39.672 26.273 25.884 1.00 0.00 C ATOM 213 C LEU A 17 38.524 25.249 26.091 1.00 0.00 C ATOM 214 O LEU A 17 38.714 24.253 26.784 1.00 0.00 O ATOM 215 CB LEU A 17 40.774 26.093 26.951 1.00 0.00 C ATOM 216 CG LEU A 17 41.880 27.146 26.990 1.00 0.00 C ATOM 217 CD1 LEU A 17 42.823 26.670 28.083 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.602 27.220 25.654 1.00 0.00 C ATOM 0 H LEU A 17 39.518 28.157 26.754 1.00 0.00 H new ATOM 0 HA LEU A 17 40.063 26.063 24.888 1.00 0.00 H new ATOM 0 HB2 LEU A 17 40.296 26.067 27.930 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.239 25.119 26.797 1.00 0.00 H new ATOM 0 HG LEU A 17 41.491 28.146 27.184 1.00 0.00 H new ATOM 0 HD11 LEU A 17 43.652 27.372 28.180 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.284 26.612 29.029 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.210 25.684 27.825 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.385 27.976 25.705 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.047 26.251 25.427 1.00 0.00 H new ATOM 0 HD23 LEU A 17 41.892 27.485 24.871 1.00 0.00 H new ATOM 230 N CYS A 18 37.338 25.470 25.511 1.00 0.00 N ATOM 231 CA CYS A 18 36.145 24.642 25.719 1.00 0.00 C ATOM 232 C CYS A 18 35.549 24.163 24.383 1.00 0.00 C ATOM 233 O CYS A 18 34.597 24.751 23.890 1.00 0.00 O ATOM 234 CB CYS A 18 35.081 25.427 26.502 1.00 0.00 C ATOM 235 SG CYS A 18 35.393 25.932 28.222 1.00 0.00 S ATOM 0 H CYS A 18 37.178 26.247 24.870 1.00 0.00 H new ATOM 0 HA CYS A 18 36.450 23.766 26.292 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.865 26.332 25.934 1.00 0.00 H new ATOM 0 HB3 CYS A 18 34.172 24.826 26.502 1.00 0.00 H new ATOM 0 HG CYS A 18 34.363 26.581 28.677 1.00 0.00 H new ATOM 240 N GLN A 19 36.098 23.106 23.783 1.00 0.00 N ATOM 241 CA GLN A 19 35.606 22.513 22.527 1.00 0.00 C ATOM 242 C GLN A 19 34.535 21.417 22.770 1.00 0.00 C ATOM 243 O GLN A 19 33.612 21.592 23.561 1.00 0.00 O ATOM 244 CB GLN A 19 36.800 22.120 21.626 1.00 0.00 C ATOM 245 CG GLN A 19 38.122 21.780 22.323 1.00 0.00 C ATOM 246 CD GLN A 19 38.996 23.019 22.562 1.00 0.00 C ATOM 247 OE1 GLN A 19 39.131 23.907 21.741 1.00 0.00 O ATOM 248 NE2 GLN A 19 39.652 23.163 23.683 1.00 0.00 N ATOM 0 H GLN A 19 36.914 22.624 24.160 1.00 0.00 H new ATOM 0 HA GLN A 19 35.051 23.258 21.957 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.502 21.259 21.028 1.00 0.00 H new ATOM 0 HB3 GLN A 19 36.985 22.941 20.933 1.00 0.00 H new ATOM 0 HG2 GLN A 19 37.912 21.298 23.278 1.00 0.00 H new ATOM 0 HG3 GLN A 19 38.674 21.061 21.717 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.580 22.452 24.411 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.236 23.986 23.830 1.00 0.00 H new ATOM 257 N PHE A 20 34.598 20.313 22.016 1.00 0.00 N ATOM 258 CA PHE A 20 33.804 19.087 22.123 1.00 0.00 C ATOM 259 C PHE A 20 32.385 19.224 22.687 1.00 0.00 C ATOM 260 O PHE A 20 32.017 18.535 23.639 1.00 0.00 O ATOM 261 CB PHE A 20 34.642 18.114 22.944 1.00 0.00 C ATOM 262 CG PHE A 20 35.981 17.806 22.313 1.00 0.00 C ATOM 263 CD1 PHE A 20 35.985 17.060 21.127 1.00 0.00 C ATOM 264 CD2 PHE A 20 37.196 18.208 22.906 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.200 16.662 20.550 1.00 0.00 C ATOM 266 CE2 PHE A 20 38.415 17.821 22.323 1.00 0.00 C ATOM 267 CZ PHE A 20 38.417 17.046 21.147 1.00 0.00 C ATOM 0 H PHE A 20 35.266 20.251 21.248 1.00 0.00 H new ATOM 0 HA PHE A 20 33.602 18.737 21.111 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.803 18.531 23.938 1.00 0.00 H new ATOM 0 HB3 PHE A 20 34.086 17.185 23.074 1.00 0.00 H new ATOM 0 HD1 PHE A 20 35.051 16.791 20.656 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.190 18.810 23.803 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.203 16.063 19.651 1.00 0.00 H new ATOM 0 HE2 PHE A 20 39.349 18.118 22.776 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.354 16.745 20.702 1.00 0.00 H new ATOM 277 N CYS A 21 31.574 20.067 22.054 1.00 0.00 N ATOM 278 CA CYS A 21 30.212 20.376 22.495 1.00 0.00 C ATOM 279 C CYS A 21 29.394 19.114 22.813 1.00 0.00 C ATOM 280 O CYS A 21 29.378 18.155 22.034 1.00 0.00 O ATOM 281 CB CYS A 21 29.512 21.266 21.470 1.00 0.00 C ATOM 282 SG CYS A 21 29.755 23.018 21.822 1.00 0.00 S ATOM 0 H CYS A 21 31.847 20.564 21.206 1.00 0.00 H new ATOM 0 HA CYS A 21 30.286 20.927 23.433 1.00 0.00 H new ATOM 0 HB2 CYS A 21 29.892 21.040 20.474 1.00 0.00 H new ATOM 0 HB3 CYS A 21 28.445 21.042 21.463 1.00 0.00 H new ATOM 287 N LYS A 22 28.739 19.113 23.977 1.00 0.00 N ATOM 288 CA LYS A 22 28.002 17.983 24.539 1.00 0.00 C ATOM 289 C LYS A 22 26.527 18.221 24.771 1.00 0.00 C ATOM 290 O LYS A 22 26.084 19.330 25.060 1.00 0.00 O ATOM 291 CB LYS A 22 28.616 17.619 25.906 1.00 0.00 C ATOM 292 CG LYS A 22 29.794 16.669 25.795 1.00 0.00 C ATOM 293 CD LYS A 22 29.334 15.278 25.350 1.00 0.00 C ATOM 294 CE LYS A 22 30.495 14.273 25.424 1.00 0.00 C ATOM 295 NZ LYS A 22 30.904 13.780 24.087 1.00 0.00 N ATOM 0 H LYS A 22 28.708 19.937 24.578 1.00 0.00 H new ATOM 0 HA LYS A 22 28.085 17.193 23.793 1.00 0.00 H new ATOM 0 HB2 LYS A 22 28.939 18.532 26.407 1.00 0.00 H new ATOM 0 HB3 LYS A 22 27.849 17.165 26.533 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.518 17.063 25.081 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.301 16.598 26.757 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.513 14.941 25.983 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.951 15.325 24.330 1.00 0.00 H new ATOM 0 HE2 LYS A 22 31.349 14.744 25.911 1.00 0.00 H new ATOM 0 HE3 LYS A 22 30.200 13.427 26.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.689 13.106 24.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.099 13.306 23.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.212 14.582 23.500 1.00 0.00 H new ATOM 309 N GLU A 23 25.808 17.103 24.734 1.00 0.00 N ATOM 310 CA GLU A 23 24.398 17.013 25.064 1.00 0.00 C ATOM 311 C GLU A 23 24.288 16.493 26.503 1.00 0.00 C ATOM 312 O GLU A 23 24.559 15.327 26.812 1.00 0.00 O ATOM 313 CB GLU A 23 23.591 16.222 24.021 1.00 0.00 C ATOM 314 CG GLU A 23 22.296 16.950 23.683 1.00 0.00 C ATOM 315 CD GLU A 23 21.420 16.217 22.651 1.00 0.00 C ATOM 316 OE1 GLU A 23 21.281 14.971 22.727 1.00 0.00 O ATOM 317 OE2 GLU A 23 20.878 16.877 21.737 1.00 0.00 O ATOM 0 H GLU A 23 26.210 16.205 24.463 1.00 0.00 H new ATOM 0 HA GLU A 23 23.931 17.997 25.024 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.186 16.088 23.118 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.366 15.227 24.405 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.721 17.092 24.598 1.00 0.00 H new ATOM 0 HG3 GLU A 23 22.537 17.942 23.301 1.00 0.00 H new ATOM 324 N LYS A 24 24.011 17.433 27.402 1.00 0.00 N ATOM 325 CA LYS A 24 23.884 17.252 28.852 1.00 0.00 C ATOM 326 C LYS A 24 22.580 17.872 29.319 1.00 0.00 C ATOM 327 O LYS A 24 21.883 18.526 28.550 1.00 0.00 O ATOM 328 CB LYS A 24 25.120 17.849 29.562 1.00 0.00 C ATOM 329 CG LYS A 24 25.268 19.371 29.354 1.00 0.00 C ATOM 330 CD LYS A 24 26.004 20.132 30.476 1.00 0.00 C ATOM 331 CE LYS A 24 27.522 19.918 30.553 1.00 0.00 C ATOM 332 NZ LYS A 24 28.155 20.895 31.482 1.00 0.00 N ATOM 0 H LYS A 24 23.859 18.403 27.124 1.00 0.00 H new ATOM 0 HA LYS A 24 23.853 16.193 29.107 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.053 17.640 30.630 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.017 17.350 29.195 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.798 19.541 28.417 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.273 19.802 29.240 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.814 21.198 30.350 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.567 19.841 31.431 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.733 18.903 30.889 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.958 20.021 29.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.181 20.728 31.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.972 21.862 31.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.754 20.778 32.435 1.00 0.00 H new ATOM 346 N THR A 25 22.254 17.685 30.582 1.00 0.00 N ATOM 347 CA THR A 25 21.085 18.325 31.168 1.00 0.00 C ATOM 348 C THR A 25 21.357 18.831 32.574 1.00 0.00 C ATOM 349 O THR A 25 22.353 18.493 33.215 1.00 0.00 O ATOM 350 CB THR A 25 19.849 17.431 31.056 1.00 0.00 C ATOM 351 OG1 THR A 25 18.723 18.092 31.538 1.00 0.00 O ATOM 352 CG2 THR A 25 19.926 16.194 31.877 1.00 0.00 C ATOM 0 H THR A 25 22.781 17.095 31.226 1.00 0.00 H new ATOM 0 HA THR A 25 20.860 19.219 30.586 1.00 0.00 H new ATOM 0 HB THR A 25 19.794 17.183 29.996 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.667 18.982 31.131 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.014 15.612 31.745 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.784 15.600 31.561 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.037 16.461 32.928 1.00 0.00 H new ATOM 360 N ASP A 26 20.435 19.669 33.003 1.00 0.00 N ATOM 361 CA ASP A 26 20.310 20.245 34.314 1.00 0.00 C ATOM 362 C ASP A 26 19.490 19.253 35.159 1.00 0.00 C ATOM 363 O ASP A 26 19.013 18.208 34.714 1.00 0.00 O ATOM 364 CB ASP A 26 19.611 21.622 34.223 1.00 0.00 C ATOM 365 CG ASP A 26 20.020 22.585 35.350 1.00 0.00 C ATOM 366 OD1 ASP A 26 20.490 22.108 36.412 1.00 0.00 O ATOM 367 OD2 ASP A 26 19.861 23.809 35.153 1.00 0.00 O ATOM 0 H ASP A 26 19.691 19.988 32.383 1.00 0.00 H new ATOM 0 HA ASP A 26 21.285 20.413 34.772 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.845 22.078 33.261 1.00 0.00 H new ATOM 0 HB3 ASP A 26 18.531 21.477 34.252 1.00 0.00 H new ATOM 372 N GLN A 27 19.215 19.656 36.380 1.00 0.00 N ATOM 373 CA GLN A 27 18.423 18.925 37.378 1.00 0.00 C ATOM 374 C GLN A 27 16.945 18.728 36.993 1.00 0.00 C ATOM 375 O GLN A 27 16.192 18.054 37.689 1.00 0.00 O ATOM 376 CB GLN A 27 18.546 19.697 38.691 1.00 0.00 C ATOM 377 CG GLN A 27 17.886 21.092 38.613 1.00 0.00 C ATOM 378 CD GLN A 27 18.529 22.092 39.572 1.00 0.00 C ATOM 379 OE1 GLN A 27 19.210 21.735 40.525 1.00 0.00 O ATOM 380 NE2 GLN A 27 18.376 23.378 39.350 1.00 0.00 N ATOM 0 H GLN A 27 19.551 20.551 36.735 1.00 0.00 H new ATOM 0 HA GLN A 27 18.817 17.912 37.459 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.083 19.122 39.493 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.600 19.809 38.947 1.00 0.00 H new ATOM 0 HG2 GLN A 27 17.961 21.470 37.593 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.824 21.003 38.843 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.813 23.696 38.561 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.821 24.058 39.966 1.00 0.00 H new ATOM 389 N TYR A 28 16.539 19.354 35.891 1.00 0.00 N ATOM 390 CA TYR A 28 15.191 19.398 35.335 1.00 0.00 C ATOM 391 C TYR A 28 14.951 18.308 34.280 1.00 0.00 C ATOM 392 O TYR A 28 13.804 18.005 33.978 1.00 0.00 O ATOM 393 CB TYR A 28 15.049 20.758 34.650 1.00 0.00 C ATOM 394 CG TYR A 28 15.319 22.001 35.472 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.756 22.176 36.749 1.00 0.00 C ATOM 396 CD2 TYR A 28 16.134 23.003 34.913 1.00 0.00 C ATOM 397 CE1 TYR A 28 15.005 23.364 37.464 1.00 0.00 C ATOM 398 CE2 TYR A 28 16.384 24.184 35.623 1.00 0.00 C ATOM 399 CZ TYR A 28 15.811 24.375 36.901 1.00 0.00 C ATOM 400 OH TYR A 28 16.027 25.526 37.590 1.00 0.00 O ATOM 0 H TYR A 28 17.196 19.885 35.320 1.00 0.00 H new ATOM 0 HA TYR A 28 14.472 19.239 36.138 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.722 20.772 33.793 1.00 0.00 H new ATOM 0 HB3 TYR A 28 14.034 20.830 34.259 1.00 0.00 H new ATOM 0 HD1 TYR A 28 14.136 21.403 37.179 1.00 0.00 H new ATOM 0 HD2 TYR A 28 16.568 22.861 33.934 1.00 0.00 H new ATOM 0 HE1 TYR A 28 14.577 23.501 38.446 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.015 24.949 35.194 1.00 0.00 H new ATOM 0 HH TYR A 28 16.604 26.119 37.064 1.00 0.00 H new ATOM 410 N GLY A 29 16.016 17.775 33.665 1.00 0.00 N ATOM 411 CA GLY A 29 15.927 16.774 32.579 1.00 0.00 C ATOM 412 C GLY A 29 15.838 17.361 31.159 1.00 0.00 C ATOM 413 O GLY A 29 15.647 16.632 30.191 1.00 0.00 O ATOM 0 H GLY A 29 16.975 18.025 33.906 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.800 16.123 32.633 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.052 16.148 32.753 1.00 0.00 H new ATOM 417 N LEU A 30 15.997 18.682 31.024 1.00 0.00 N ATOM 418 CA LEU A 30 16.073 19.416 29.755 1.00 0.00 C ATOM 419 C LEU A 30 17.417 19.158 29.124 1.00 0.00 C ATOM 420 O LEU A 30 18.431 19.677 29.585 1.00 0.00 O ATOM 421 CB LEU A 30 16.072 20.924 29.977 1.00 0.00 C ATOM 422 CG LEU A 30 14.744 21.631 30.132 1.00 0.00 C ATOM 423 CD1 LEU A 30 14.153 21.074 31.378 1.00 0.00 C ATOM 424 CD2 LEU A 30 15.130 23.075 30.363 1.00 0.00 C ATOM 0 H LEU A 30 16.080 19.297 31.833 1.00 0.00 H new ATOM 0 HA LEU A 30 15.222 19.093 29.155 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.662 21.128 30.871 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.596 21.383 29.138 1.00 0.00 H new ATOM 0 HG LEU A 30 14.052 21.525 29.297 1.00 0.00 H new ATOM 0 HD11 LEU A 30 13.184 21.539 31.560 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.024 19.997 31.270 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.817 21.278 32.218 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.230 23.677 30.489 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.744 23.148 31.261 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.695 23.442 29.506 1.00 0.00 H new ATOM 436 N THR A 31 17.457 18.358 28.096 1.00 0.00 N ATOM 437 CA THR A 31 18.702 18.157 27.387 1.00 0.00 C ATOM 438 C THR A 31 19.013 19.357 26.512 1.00 0.00 C ATOM 439 O THR A 31 18.184 19.790 25.714 1.00 0.00 O ATOM 440 CB THR A 31 18.755 16.893 26.533 1.00 0.00 C ATOM 441 OG1 THR A 31 18.007 15.828 27.074 1.00 0.00 O ATOM 442 CG2 THR A 31 20.225 16.513 26.613 1.00 0.00 C ATOM 0 H THR A 31 16.659 17.839 27.730 1.00 0.00 H new ATOM 0 HA THR A 31 19.452 18.034 28.168 1.00 0.00 H new ATOM 0 HB THR A 31 18.353 17.071 25.536 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.076 15.048 26.485 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.399 15.607 26.032 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.833 17.324 26.211 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.499 16.335 27.653 1.00 0.00 H new ATOM 450 N TYR A 32 20.218 19.886 26.664 1.00 0.00 N ATOM 451 CA TYR A 32 20.711 21.034 25.940 1.00 0.00 C ATOM 452 C TYR A 32 22.142 20.798 25.435 1.00 0.00 C ATOM 453 O TYR A 32 22.899 19.982 25.971 1.00 0.00 O ATOM 454 CB TYR A 32 20.510 22.263 26.837 1.00 0.00 C ATOM 455 CG TYR A 32 20.905 22.091 28.292 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.256 21.943 28.581 1.00 0.00 C ATOM 457 CD2 TYR A 32 19.967 22.054 29.347 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.697 22.011 29.918 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.362 21.960 30.680 1.00 0.00 C ATOM 460 CZ TYR A 32 21.753 22.021 30.973 1.00 0.00 C ATOM 461 OH TYR A 32 22.197 22.039 32.254 1.00 0.00 O ATOM 0 H TYR A 32 20.900 19.508 27.322 1.00 0.00 H new ATOM 0 HA TYR A 32 20.153 21.214 25.021 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.083 23.091 26.420 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.459 22.550 26.797 1.00 0.00 H new ATOM 0 HD1 TYR A 32 22.966 21.776 27.784 1.00 0.00 H new ATOM 0 HD2 TYR A 32 18.913 22.100 29.114 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.754 22.055 30.137 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.633 21.844 31.468 1.00 0.00 H new ATOM 0 HH TYR A 32 21.866 22.844 32.704 1.00 0.00 H new ATOM 471 N ARG A 33 22.521 21.525 24.382 1.00 0.00 N ATOM 472 CA ARG A 33 23.820 21.444 23.698 1.00 0.00 C ATOM 473 C ARG A 33 24.703 22.593 24.159 1.00 0.00 C ATOM 474 O ARG A 33 24.401 23.762 23.938 1.00 0.00 O ATOM 475 CB ARG A 33 23.628 21.428 22.177 1.00 0.00 C ATOM 476 CG ARG A 33 22.966 20.122 21.754 1.00 0.00 C ATOM 477 CD ARG A 33 22.364 20.208 20.349 1.00 0.00 C ATOM 478 NE ARG A 33 21.297 19.210 20.272 1.00 0.00 N ATOM 479 CZ ARG A 33 20.192 19.166 19.555 1.00 0.00 C ATOM 480 NH1 ARG A 33 19.920 20.031 18.619 1.00 0.00 N ATOM 481 NH2 ARG A 33 19.329 18.229 19.811 1.00 0.00 N ATOM 0 H ARG A 33 21.904 22.220 23.961 1.00 0.00 H new ATOM 0 HA ARG A 33 24.319 20.511 23.959 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.013 22.274 21.870 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.591 21.536 21.678 1.00 0.00 H new ATOM 0 HG2 ARG A 33 23.701 19.318 21.784 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.183 19.865 22.468 1.00 0.00 H new ATOM 0 HD2 ARG A 33 21.971 21.207 20.160 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.125 20.017 19.592 1.00 0.00 H new ATOM 0 HE ARG A 33 21.433 18.404 20.882 1.00 0.00 H new ATOM 0 HH11 ARG A 33 20.577 20.784 18.414 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.051 19.955 18.091 1.00 0.00 H new ATOM 0 HH21 ARG A 33 19.516 17.552 20.551 1.00 0.00 H new ATOM 0 HH22 ARG A 33 18.465 18.170 19.272 1.00 0.00 H new ATOM 495 N THR A 34 25.773 22.252 24.862 1.00 0.00 N ATOM 496 CA THR A 34 26.687 23.208 25.518 1.00 0.00 C ATOM 497 C THR A 34 28.155 22.879 25.294 1.00 0.00 C ATOM 498 O THR A 34 28.506 21.728 25.025 1.00 0.00 O ATOM 499 CB THR A 34 26.399 23.268 27.033 1.00 0.00 C ATOM 500 OG1 THR A 34 26.380 21.974 27.596 1.00 0.00 O ATOM 501 CG2 THR A 34 25.029 23.888 27.298 1.00 0.00 C ATOM 0 H THR A 34 26.047 21.280 25.003 1.00 0.00 H new ATOM 0 HA THR A 34 26.499 24.179 25.059 1.00 0.00 H new ATOM 0 HB THR A 34 27.191 23.869 27.480 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.674 22.019 28.530 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.846 23.921 28.372 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.004 24.900 26.895 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.258 23.286 26.817 1.00 0.00 H new ATOM 509 N CYS A 35 29.026 23.881 25.431 1.00 0.00 N ATOM 510 CA CYS A 35 30.476 23.682 25.337 1.00 0.00 C ATOM 511 C CYS A 35 30.962 22.723 26.448 1.00 0.00 C ATOM 512 O CYS A 35 30.471 22.774 27.578 1.00 0.00 O ATOM 513 CB CYS A 35 31.220 25.031 25.418 1.00 0.00 C ATOM 514 SG CYS A 35 30.601 26.466 24.477 1.00 0.00 S ATOM 0 H CYS A 35 28.750 24.847 25.609 1.00 0.00 H new ATOM 0 HA CYS A 35 30.698 23.231 24.370 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.254 25.321 26.468 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.248 24.855 25.103 1.00 0.00 H new ATOM 519 N ASN A 36 31.929 21.850 26.152 1.00 0.00 N ATOM 520 CA ASN A 36 32.570 20.968 27.136 1.00 0.00 C ATOM 521 C ASN A 36 34.095 21.097 26.984 1.00 0.00 C ATOM 522 O ASN A 36 34.598 21.850 26.157 1.00 0.00 O ATOM 523 CB ASN A 36 32.050 19.502 27.025 1.00 0.00 C ATOM 524 CG ASN A 36 32.609 18.625 28.145 1.00 0.00 C ATOM 525 OD1 ASN A 36 33.261 17.516 27.863 1.00 0.00 O flip ATOM 526 ND2 ASN A 36 32.578 18.994 29.305 1.00 0.00 N flip ATOM 0 H ASN A 36 32.296 21.733 25.207 1.00 0.00 H new ATOM 0 HA ASN A 36 32.303 21.276 28.147 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.961 19.497 27.066 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.335 19.086 26.059 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.081 19.849 29.555 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.049 18.448 30.027 1.00 0.00 H new ATOM 533 N LEU A 37 34.865 20.399 27.812 1.00 0.00 N ATOM 534 CA LEU A 37 36.299 20.337 27.694 1.00 0.00 C ATOM 535 C LEU A 37 36.773 19.171 26.800 1.00 0.00 C ATOM 536 O LEU A 37 37.849 19.270 26.220 1.00 0.00 O ATOM 537 CB LEU A 37 36.858 20.171 29.127 1.00 0.00 C ATOM 538 CG LEU A 37 37.571 21.352 29.740 1.00 0.00 C ATOM 539 CD1 LEU A 37 38.782 21.570 28.881 1.00 0.00 C ATOM 540 CD2 LEU A 37 36.624 22.520 29.814 1.00 0.00 C ATOM 0 H LEU A 37 34.495 19.856 28.592 1.00 0.00 H new ATOM 0 HA LEU A 37 36.663 21.247 27.217 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.029 19.902 29.782 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.548 19.327 29.123 1.00 0.00 H new ATOM 0 HG LEU A 37 37.897 21.198 30.769 1.00 0.00 H new ATOM 0 HD11 LEU A 37 39.353 22.415 29.265 1.00 0.00 H new ATOM 0 HD12 LEU A 37 39.404 20.675 28.895 1.00 0.00 H new ATOM 0 HD13 LEU A 37 38.470 21.778 27.858 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.135 23.375 30.256 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.286 22.778 28.811 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.765 22.253 30.429 1.00 0.00 H new ATOM 552 N LEU A 38 35.978 18.089 26.666 1.00 0.00 N ATOM 553 CA LEU A 38 36.347 16.834 25.976 1.00 0.00 C ATOM 554 C LEU A 38 35.245 16.032 25.244 1.00 0.00 C ATOM 555 O LEU A 38 34.058 16.238 25.522 1.00 0.00 O ATOM 556 CB LEU A 38 36.895 15.891 27.054 1.00 0.00 C ATOM 557 CG LEU A 38 38.179 16.313 27.746 1.00 0.00 C ATOM 558 CD1 LEU A 38 38.367 15.342 28.902 1.00 0.00 C ATOM 559 CD2 LEU A 38 39.283 16.231 26.717 1.00 0.00 C ATOM 0 H LEU A 38 35.032 18.063 27.047 1.00 0.00 H new ATOM 0 HA LEU A 38 37.030 17.156 25.190 1.00 0.00 H new ATOM 0 HB2 LEU A 38 36.126 15.762 27.815 1.00 0.00 H new ATOM 0 HB3 LEU A 38 37.060 14.914 26.599 1.00 0.00 H new ATOM 0 HG LEU A 38 38.170 17.329 28.140 1.00 0.00 H new ATOM 0 HD11 LEU A 38 39.279 15.593 29.443 1.00 0.00 H new ATOM 0 HD12 LEU A 38 37.514 15.410 29.577 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.443 14.326 28.515 1.00 0.00 H new ATOM 0 HD21 LEU A 38 40.228 16.527 27.173 1.00 0.00 H new ATOM 0 HD22 LEU A 38 39.362 15.208 26.349 1.00 0.00 H new ATOM 0 HD23 LEU A 38 39.056 16.899 25.886 1.00 0.00 H new ATOM 571 N PRO A 39 35.629 15.093 24.342 1.00 0.00 N ATOM 572 CA PRO A 39 34.725 14.175 23.650 1.00 0.00 C ATOM 573 C PRO A 39 34.442 12.913 24.494 1.00 0.00 C ATOM 574 O PRO A 39 35.394 12.269 24.996 1.00 0.00 O ATOM 575 CB PRO A 39 35.435 13.852 22.337 1.00 0.00 C ATOM 576 CG PRO A 39 36.910 13.828 22.723 1.00 0.00 C ATOM 577 CD PRO A 39 36.999 14.806 23.906 1.00 0.00 C ATOM 0 HA PRO A 39 33.742 14.613 23.475 1.00 0.00 H new ATOM 0 HB2 PRO A 39 35.111 12.894 21.931 1.00 0.00 H new ATOM 0 HB3 PRO A 39 35.232 14.605 21.576 1.00 0.00 H new ATOM 0 HG2 PRO A 39 37.232 12.826 23.008 1.00 0.00 H new ATOM 0 HG3 PRO A 39 37.545 14.144 21.895 1.00 0.00 H new ATOM 0 HD2 PRO A 39 37.578 14.371 24.721 1.00 0.00 H new ATOM 0 HD3 PRO A 39 37.507 15.723 23.608 1.00 0.00 H new