USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=14 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 Set 1.1: A 8 SER OG : rot 180:sc= 0.103 USER MOD Set 1.2: A 9 ASN : amide:sc= -0.235 X(o=-0.13,f=-0.022) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0249 USER MOD Single : A 18 CYS SG : rot -14:sc= -0.114 USER MOD Single : A 19 GLN :FLIP amide:sc= 0.867 F(o=0,f=0.87) USER MOD Single : A 22 LYS NZ :NH3+ -167:sc= 1.27 (180deg=1.11) USER MOD Single : A 24 LYS NZ :NH3+ -169:sc= 0.422 (180deg=0.39) USER MOD Single : A 25 THR OG1 : rot -110:sc= -0.799 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) 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 130:sc= 0 USER MOD Single : A 34 THR OG1 : rot -150:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -0.807 F(o=-1.7!,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 27.883 28.797 27.281 1.00 0.00 N ATOM 45 CA GLU A 4 27.034 29.149 26.137 1.00 0.00 C ATOM 46 C GLU A 4 26.634 27.891 25.323 1.00 0.00 C ATOM 47 O GLU A 4 27.276 26.838 25.459 1.00 0.00 O ATOM 48 CB GLU A 4 27.772 30.215 25.289 1.00 0.00 C ATOM 49 CG GLU A 4 27.864 31.563 26.039 1.00 0.00 C ATOM 50 CD GLU A 4 28.552 32.703 25.266 1.00 0.00 C ATOM 51 OE1 GLU A 4 28.787 32.568 24.040 1.00 0.00 O ATOM 52 OE2 GLU A 4 28.833 33.745 25.910 1.00 0.00 O ATOM 0 HA GLU A 4 26.093 29.577 26.482 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.774 29.861 25.048 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.248 30.357 24.344 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.856 31.882 26.303 1.00 0.00 H new ATOM 0 HG3 GLU A 4 28.402 31.404 26.973 1.00 0.00 H new ATOM 59 N PRO A 5 25.540 27.950 24.532 1.00 0.00 N ATOM 60 CA PRO A 5 25.049 26.808 23.759 1.00 0.00 C ATOM 61 C PRO A 5 25.861 26.552 22.479 1.00 0.00 C ATOM 62 O PRO A 5 26.556 27.432 21.974 1.00 0.00 O ATOM 63 CB PRO A 5 23.591 27.149 23.430 1.00 0.00 C ATOM 64 CG PRO A 5 23.617 28.672 23.307 1.00 0.00 C ATOM 65 CD PRO A 5 24.623 29.076 24.385 1.00 0.00 C ATOM 0 HA PRO A 5 25.145 25.886 24.332 1.00 0.00 H new ATOM 0 HB2 PRO A 5 23.264 26.674 22.505 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.911 26.818 24.216 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.935 28.993 22.315 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.635 29.110 23.484 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.160 29.980 24.097 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.118 29.292 25.327 1.00 0.00 H new ATOM 73 N CYS A 6 25.728 25.343 21.924 1.00 0.00 N ATOM 74 CA CYS A 6 26.408 24.912 20.692 1.00 0.00 C ATOM 75 C CYS A 6 25.598 23.892 19.864 1.00 0.00 C ATOM 76 O CYS A 6 24.531 23.441 20.278 1.00 0.00 O ATOM 77 CB CYS A 6 27.784 24.348 21.087 1.00 0.00 C ATOM 78 SG CYS A 6 27.754 22.988 22.291 1.00 0.00 S ATOM 0 H CYS A 6 25.132 24.619 22.325 1.00 0.00 H new ATOM 0 HA CYS A 6 26.517 25.776 20.036 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.288 24.001 20.185 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.386 25.159 21.496 1.00 0.00 H new ATOM 83 N SER A 7 26.111 23.516 18.688 1.00 0.00 N ATOM 84 CA SER A 7 25.557 22.475 17.804 1.00 0.00 C ATOM 85 C SER A 7 26.644 21.484 17.353 1.00 0.00 C ATOM 86 O SER A 7 26.403 20.277 17.284 1.00 0.00 O ATOM 87 CB SER A 7 24.868 23.138 16.601 1.00 0.00 C ATOM 88 OG SER A 7 23.900 22.274 16.029 1.00 0.00 O ATOM 0 H SER A 7 26.956 23.942 18.308 1.00 0.00 H new ATOM 0 HA SER A 7 24.817 21.899 18.360 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.391 24.066 16.917 1.00 0.00 H new ATOM 0 HB3 SER A 7 25.613 23.402 15.851 1.00 0.00 H new ATOM 0 HG SER A 7 23.474 22.719 15.267 1.00 0.00 H new ATOM 94 N SER A 8 27.864 21.979 17.118 1.00 0.00 N ATOM 95 CA SER A 8 29.081 21.236 16.779 1.00 0.00 C ATOM 96 C SER A 8 30.315 21.843 17.473 1.00 0.00 C ATOM 97 O SER A 8 30.212 22.758 18.288 1.00 0.00 O ATOM 98 CB SER A 8 29.240 21.223 15.253 1.00 0.00 C ATOM 99 OG SER A 8 30.217 20.280 14.848 1.00 0.00 O ATOM 0 H SER A 8 28.039 22.983 17.163 1.00 0.00 H new ATOM 0 HA SER A 8 28.996 20.210 17.138 1.00 0.00 H new ATOM 0 HB2 SER A 8 28.284 20.983 14.787 1.00 0.00 H new ATOM 0 HB3 SER A 8 29.524 22.217 14.906 1.00 0.00 H new ATOM 0 HG SER A 8 30.297 20.291 13.871 1.00 0.00 H new ATOM 105 N ASN A 9 31.505 21.314 17.186 1.00 0.00 N ATOM 106 CA ASN A 9 32.776 21.705 17.817 1.00 0.00 C ATOM 107 C ASN A 9 33.196 23.168 17.608 1.00 0.00 C ATOM 108 O ASN A 9 33.769 23.794 18.497 1.00 0.00 O ATOM 109 CB ASN A 9 33.918 20.803 17.299 1.00 0.00 C ATOM 110 CG ASN A 9 34.006 20.631 15.789 1.00 0.00 C ATOM 111 OD1 ASN A 9 34.603 21.417 15.067 1.00 0.00 O ATOM 112 ND2 ASN A 9 33.438 19.573 15.256 1.00 0.00 N ATOM 0 H ASN A 9 31.620 20.579 16.488 1.00 0.00 H new ATOM 0 HA ASN A 9 32.599 21.583 18.886 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.865 21.211 17.653 1.00 0.00 H new ATOM 0 HB3 ASN A 9 33.807 19.817 17.750 1.00 0.00 H new ATOM 0 HD21 ASN A 9 33.498 19.414 14.250 1.00 0.00 H new ATOM 0 HD22 ASN A 9 32.937 18.910 15.848 1.00 0.00 H new ATOM 119 N SER A 10 32.924 23.710 16.428 1.00 0.00 N ATOM 120 CA SER A 10 33.368 25.034 16.000 1.00 0.00 C ATOM 121 C SER A 10 32.610 26.212 16.605 1.00 0.00 C ATOM 122 O SER A 10 33.121 27.329 16.596 1.00 0.00 O ATOM 123 CB SER A 10 33.355 25.047 14.474 1.00 0.00 C ATOM 124 OG SER A 10 32.072 24.718 13.967 1.00 0.00 O ATOM 0 H SER A 10 32.372 23.227 15.719 1.00 0.00 H new ATOM 0 HA SER A 10 34.375 25.191 16.386 1.00 0.00 H new ATOM 0 HB2 SER A 10 33.649 26.033 14.114 1.00 0.00 H new ATOM 0 HB3 SER A 10 34.091 24.337 14.096 1.00 0.00 H new ATOM 0 HG SER A 10 32.093 24.736 12.987 1.00 0.00 H new ATOM 130 N ASP A 11 31.461 25.960 17.230 1.00 0.00 N ATOM 131 CA ASP A 11 30.634 26.948 17.927 1.00 0.00 C ATOM 132 C ASP A 11 31.263 27.518 19.226 1.00 0.00 C ATOM 133 O ASP A 11 30.671 28.402 19.843 1.00 0.00 O ATOM 134 CB ASP A 11 29.307 26.252 18.261 1.00 0.00 C ATOM 135 CG ASP A 11 28.440 25.933 17.042 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.180 26.830 16.208 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.984 24.769 16.934 1.00 0.00 O ATOM 0 H ASP A 11 31.062 25.022 17.267 1.00 0.00 H new ATOM 0 HA ASP A 11 30.514 27.810 17.271 1.00 0.00 H new ATOM 0 HB2 ASP A 11 29.520 25.325 18.793 1.00 0.00 H new ATOM 0 HB3 ASP A 11 28.738 26.886 18.941 1.00 0.00 H new ATOM 142 N CYS A 12 32.442 27.040 19.655 1.00 0.00 N ATOM 143 CA CYS A 12 33.081 27.419 20.929 1.00 0.00 C ATOM 144 C CYS A 12 34.619 27.457 20.851 1.00 0.00 C ATOM 145 O CYS A 12 35.310 27.668 21.846 1.00 0.00 O ATOM 146 CB CYS A 12 32.596 26.457 22.024 1.00 0.00 C ATOM 147 SG CYS A 12 31.331 27.165 23.113 1.00 0.00 S ATOM 0 H CYS A 12 32.989 26.367 19.118 1.00 0.00 H new ATOM 0 HA CYS A 12 32.784 28.440 21.169 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.196 25.559 21.554 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.450 26.148 22.627 1.00 0.00 H new ATOM 152 N ILE A 13 35.176 27.263 19.657 1.00 0.00 N ATOM 153 CA ILE A 13 36.591 27.364 19.364 1.00 0.00 C ATOM 154 C ILE A 13 37.016 28.850 19.447 1.00 0.00 C ATOM 155 O ILE A 13 36.207 29.757 19.253 1.00 0.00 O ATOM 156 CB ILE A 13 36.746 26.715 17.979 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.882 25.206 18.220 1.00 0.00 C ATOM 158 CG2 ILE A 13 37.951 27.211 17.220 1.00 0.00 C ATOM 159 CD1 ILE A 13 37.130 24.332 16.998 1.00 0.00 C ATOM 0 H ILE A 13 34.622 27.021 18.836 1.00 0.00 H new ATOM 0 HA ILE A 13 37.248 26.853 20.068 1.00 0.00 H new ATOM 0 HB ILE A 13 35.880 26.971 17.369 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.700 25.047 18.922 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.972 24.857 18.707 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.001 26.713 16.252 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.869 28.288 17.071 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.855 26.991 17.788 1.00 0.00 H new ATOM 0 HD11 ILE A 13 37.206 23.289 17.306 1.00 0.00 H new ATOM 0 HD12 ILE A 13 36.303 24.444 16.297 1.00 0.00 H new ATOM 0 HD13 ILE A 13 38.059 24.637 16.515 1.00 0.00 H new ATOM 171 N GLY A 14 38.302 29.119 19.689 1.00 0.00 N ATOM 172 CA GLY A 14 38.884 30.471 19.688 1.00 0.00 C ATOM 173 C GLY A 14 38.627 31.293 20.957 1.00 0.00 C ATOM 174 O GLY A 14 39.580 31.760 21.578 1.00 0.00 O ATOM 0 H GLY A 14 38.985 28.390 19.896 1.00 0.00 H new ATOM 0 HA2 GLY A 14 39.961 30.386 19.541 1.00 0.00 H new ATOM 0 HA3 GLY A 14 38.488 31.019 18.833 1.00 0.00 H new ATOM 178 N ILE A 15 37.363 31.435 21.376 1.00 0.00 N ATOM 179 CA ILE A 15 36.937 32.228 22.553 1.00 0.00 C ATOM 180 C ILE A 15 37.592 31.764 23.862 1.00 0.00 C ATOM 181 O ILE A 15 37.731 32.499 24.841 1.00 0.00 O ATOM 182 CB ILE A 15 35.398 32.331 22.610 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.582 31.028 22.695 1.00 0.00 C ATOM 184 CG2 ILE A 15 34.947 33.014 21.319 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.789 30.261 23.992 1.00 0.00 C ATOM 0 H ILE A 15 36.580 30.991 20.896 1.00 0.00 H new ATOM 0 HA ILE A 15 37.310 33.244 22.428 1.00 0.00 H new ATOM 0 HB ILE A 15 35.203 32.858 23.544 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.523 31.265 22.588 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.851 30.386 21.856 1.00 0.00 H new ATOM 0 HG21 ILE A 15 33.861 33.108 21.317 1.00 0.00 H new ATOM 0 HG22 ILE A 15 35.397 34.005 21.255 1.00 0.00 H new ATOM 0 HG23 ILE A 15 35.261 32.417 20.463 1.00 0.00 H new ATOM 0 HD11 ILE A 15 34.183 29.355 23.980 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.841 29.992 24.092 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.492 30.885 24.835 1.00 0.00 H new ATOM 197 N THR A 16 37.987 30.502 23.859 1.00 0.00 N ATOM 198 CA THR A 16 38.747 29.680 24.771 1.00 0.00 C ATOM 199 C THR A 16 39.119 28.408 23.968 1.00 0.00 C ATOM 200 O THR A 16 38.554 28.149 22.906 1.00 0.00 O ATOM 201 CB THR A 16 37.951 29.314 26.015 1.00 0.00 C ATOM 202 OG1 THR A 16 37.345 30.433 26.624 1.00 0.00 O ATOM 203 CG2 THR A 16 38.982 28.783 26.997 1.00 0.00 C ATOM 0 H THR A 16 37.725 29.931 23.056 1.00 0.00 H new ATOM 0 HA THR A 16 39.626 30.214 25.132 1.00 0.00 H new ATOM 0 HB THR A 16 37.160 28.613 25.748 1.00 0.00 H new ATOM 0 HG1 THR A 16 36.846 30.144 27.416 1.00 0.00 H new ATOM 0 HG21 THR A 16 38.487 28.496 27.925 1.00 0.00 H new ATOM 0 HG22 THR A 16 39.480 27.914 26.567 1.00 0.00 H new ATOM 0 HG23 THR A 16 39.720 29.558 27.205 1.00 0.00 H new ATOM 211 N LEU A 17 40.021 27.553 24.453 1.00 0.00 N ATOM 212 CA LEU A 17 40.380 26.254 23.857 1.00 0.00 C ATOM 213 C LEU A 17 39.269 25.183 24.061 1.00 0.00 C ATOM 214 O LEU A 17 39.531 23.985 23.995 1.00 0.00 O ATOM 215 CB LEU A 17 41.713 25.826 24.504 1.00 0.00 C ATOM 216 CG LEU A 17 42.876 26.801 24.265 1.00 0.00 C ATOM 217 CD1 LEU A 17 43.801 26.668 25.464 1.00 0.00 C ATOM 218 CD2 LEU A 17 43.606 26.428 22.981 1.00 0.00 C ATOM 0 H LEU A 17 40.545 27.749 25.306 1.00 0.00 H new ATOM 0 HA LEU A 17 40.485 26.349 22.776 1.00 0.00 H new ATOM 0 HB2 LEU A 17 41.563 25.715 25.578 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.992 24.845 24.118 1.00 0.00 H new ATOM 0 HG LEU A 17 42.525 27.827 24.157 1.00 0.00 H new ATOM 0 HD11 LEU A 17 44.649 27.342 25.346 1.00 0.00 H new ATOM 0 HD12 LEU A 17 43.257 26.925 26.373 1.00 0.00 H new ATOM 0 HD13 LEU A 17 44.161 25.641 25.534 1.00 0.00 H new ATOM 0 HD21 LEU A 17 44.430 27.122 22.816 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.997 25.414 23.066 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.914 26.480 22.141 1.00 0.00 H new ATOM 230 N CYS A 18 38.017 25.597 24.289 1.00 0.00 N ATOM 231 CA CYS A 18 36.856 24.770 24.636 1.00 0.00 C ATOM 232 C CYS A 18 36.155 24.177 23.393 1.00 0.00 C ATOM 233 O CYS A 18 34.943 24.259 23.217 1.00 0.00 O ATOM 234 CB CYS A 18 35.976 25.590 25.609 1.00 0.00 C ATOM 235 SG CYS A 18 34.828 26.828 24.964 1.00 0.00 S ATOM 0 H CYS A 18 37.772 26.586 24.232 1.00 0.00 H new ATOM 0 HA CYS A 18 37.151 23.862 25.163 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.392 24.880 26.194 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.646 26.099 26.302 1.00 0.00 H new ATOM 0 HG CYS A 18 35.117 27.083 23.722 1.00 0.00 H new ATOM 240 N GLN A 19 36.947 23.527 22.535 1.00 0.00 N ATOM 241 CA GLN A 19 36.548 22.976 21.225 1.00 0.00 C ATOM 242 C GLN A 19 35.557 21.788 21.262 1.00 0.00 C ATOM 243 O GLN A 19 35.259 21.203 20.220 1.00 0.00 O ATOM 244 CB GLN A 19 37.807 22.632 20.406 1.00 0.00 C ATOM 245 CG GLN A 19 38.890 21.826 21.116 1.00 0.00 C ATOM 246 CD GLN A 19 39.991 21.362 20.157 1.00 0.00 C ATOM 247 OE1 GLN A 19 40.682 22.259 19.479 1.00 0.00 O flip ATOM 248 NE2 GLN A 19 40.252 20.184 19.991 1.00 0.00 N flip ATOM 0 H GLN A 19 37.932 23.360 22.740 1.00 0.00 H new ATOM 0 HA GLN A 19 35.976 23.766 20.739 1.00 0.00 H new ATOM 0 HB2 GLN A 19 37.496 22.077 19.521 1.00 0.00 H new ATOM 0 HB3 GLN A 19 38.251 23.565 20.057 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.332 22.432 21.907 1.00 0.00 H new ATOM 0 HG3 GLN A 19 38.438 20.957 21.595 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.733 19.470 20.502 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.989 19.912 19.341 1.00 0.00 H new ATOM 257 N PHE A 20 35.017 21.429 22.430 1.00 0.00 N ATOM 258 CA PHE A 20 34.181 20.251 22.620 1.00 0.00 C ATOM 259 C PHE A 20 32.746 20.537 23.095 1.00 0.00 C ATOM 260 O PHE A 20 32.473 20.737 24.278 1.00 0.00 O ATOM 261 CB PHE A 20 34.949 19.313 23.550 1.00 0.00 C ATOM 262 CG PHE A 20 36.369 18.995 23.098 1.00 0.00 C ATOM 263 CD1 PHE A 20 36.589 18.366 21.861 1.00 0.00 C ATOM 264 CD2 PHE A 20 37.477 19.311 23.907 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.889 18.024 21.456 1.00 0.00 C ATOM 266 CE2 PHE A 20 38.769 18.918 23.528 1.00 0.00 C ATOM 267 CZ PHE A 20 38.982 18.280 22.297 1.00 0.00 C ATOM 0 H PHE A 20 35.155 21.965 23.287 1.00 0.00 H new ATOM 0 HA PHE A 20 34.004 19.783 21.652 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.989 19.760 24.543 1.00 0.00 H new ATOM 0 HB3 PHE A 20 34.394 18.380 23.643 1.00 0.00 H new ATOM 0 HD1 PHE A 20 35.751 18.144 21.217 1.00 0.00 H new ATOM 0 HD2 PHE A 20 37.331 19.860 24.826 1.00 0.00 H new ATOM 0 HE1 PHE A 20 38.048 17.562 20.493 1.00 0.00 H new ATOM 0 HE2 PHE A 20 39.604 19.107 24.187 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.978 17.989 22.000 1.00 0.00 H new ATOM 277 N CYS A 21 31.806 20.551 22.147 1.00 0.00 N ATOM 278 CA CYS A 21 30.369 20.680 22.403 1.00 0.00 C ATOM 279 C CYS A 21 29.818 19.377 23.025 1.00 0.00 C ATOM 280 O CYS A 21 30.185 18.281 22.590 1.00 0.00 O ATOM 281 CB CYS A 21 29.667 20.998 21.073 1.00 0.00 C ATOM 282 SG CYS A 21 27.884 21.293 21.177 1.00 0.00 S ATOM 0 H CYS A 21 32.029 20.471 21.155 1.00 0.00 H new ATOM 0 HA CYS A 21 30.183 21.486 23.113 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.138 21.879 20.637 1.00 0.00 H new ATOM 0 HB3 CYS A 21 29.840 20.170 20.385 1.00 0.00 H new ATOM 287 N LYS A 22 28.925 19.473 24.023 1.00 0.00 N ATOM 288 CA LYS A 22 28.264 18.335 24.695 1.00 0.00 C ATOM 289 C LYS A 22 26.760 18.460 24.826 1.00 0.00 C ATOM 290 O LYS A 22 26.202 19.550 24.805 1.00 0.00 O ATOM 291 CB LYS A 22 28.850 18.156 26.115 1.00 0.00 C ATOM 292 CG LYS A 22 30.110 17.313 26.041 1.00 0.00 C ATOM 293 CD LYS A 22 29.795 15.839 25.714 1.00 0.00 C ATOM 294 CE LYS A 22 30.952 15.299 24.863 1.00 0.00 C ATOM 295 NZ LYS A 22 30.825 13.865 24.518 1.00 0.00 N ATOM 0 H LYS A 22 28.631 20.374 24.399 1.00 0.00 H new ATOM 0 HA LYS A 22 28.458 17.475 24.054 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.076 19.129 26.552 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.117 17.677 26.765 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.775 17.720 25.280 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.641 17.369 26.991 1.00 0.00 H new ATOM 0 HD2 LYS A 22 29.688 15.257 26.630 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.852 15.759 25.174 1.00 0.00 H new ATOM 0 HE2 LYS A 22 31.015 15.880 23.943 1.00 0.00 H new ATOM 0 HE3 LYS A 22 31.888 15.452 25.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.729 13.517 24.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 30.575 13.324 25.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 30.081 13.745 23.801 1.00 0.00 H new ATOM 309 N GLU A 23 26.113 17.316 25.030 1.00 0.00 N ATOM 310 CA GLU A 23 24.696 17.206 25.319 1.00 0.00 C ATOM 311 C GLU A 23 24.573 16.809 26.789 1.00 0.00 C ATOM 312 O GLU A 23 25.120 15.791 27.212 1.00 0.00 O ATOM 313 CB GLU A 23 23.996 16.204 24.389 1.00 0.00 C ATOM 314 CG GLU A 23 22.513 16.105 24.657 1.00 0.00 C ATOM 315 CD GLU A 23 22.046 14.646 24.631 1.00 0.00 C ATOM 316 OE1 GLU A 23 22.394 13.885 25.558 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.324 14.246 23.686 1.00 0.00 O ATOM 0 H GLU A 23 26.582 16.411 24.996 1.00 0.00 H new ATOM 0 HA GLU A 23 24.195 18.157 25.140 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.156 16.502 23.353 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.451 15.221 24.511 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.285 16.546 25.627 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.966 16.679 23.909 1.00 0.00 H new ATOM 324 N LYS A 24 23.896 17.645 27.569 1.00 0.00 N ATOM 325 CA LYS A 24 23.664 17.479 29.003 1.00 0.00 C ATOM 326 C LYS A 24 22.375 18.162 29.418 1.00 0.00 C ATOM 327 O LYS A 24 21.707 18.786 28.606 1.00 0.00 O ATOM 328 CB LYS A 24 24.876 18.060 29.747 1.00 0.00 C ATOM 329 CG LYS A 24 24.898 19.603 29.737 1.00 0.00 C ATOM 330 CD LYS A 24 26.154 20.223 30.354 1.00 0.00 C ATOM 331 CE LYS A 24 26.377 19.738 31.783 1.00 0.00 C ATOM 332 NZ LYS A 24 25.315 20.201 32.722 1.00 0.00 N ATOM 0 H LYS A 24 23.473 18.498 27.203 1.00 0.00 H new ATOM 0 HA LYS A 24 23.555 16.424 29.253 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.867 17.708 30.778 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.792 17.685 29.290 1.00 0.00 H new ATOM 0 HG2 LYS A 24 24.806 19.949 28.707 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.025 19.970 30.276 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.022 19.971 29.744 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.065 21.309 30.348 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.413 18.649 31.791 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.346 20.091 32.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 25.608 20.006 33.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 25.167 21.223 32.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 24.428 19.697 32.519 1.00 0.00 H new ATOM 346 N THR A 25 22.058 18.092 30.699 1.00 0.00 N ATOM 347 CA THR A 25 20.918 18.794 31.276 1.00 0.00 C ATOM 348 C THR A 25 21.309 19.560 32.537 1.00 0.00 C ATOM 349 O THR A 25 22.451 19.502 33.007 1.00 0.00 O ATOM 350 CB THR A 25 19.711 17.862 31.411 1.00 0.00 C ATOM 351 OG1 THR A 25 18.574 18.432 31.988 1.00 0.00 O ATOM 352 CG2 THR A 25 19.944 16.704 32.309 1.00 0.00 C ATOM 0 H THR A 25 22.587 17.543 31.376 1.00 0.00 H new ATOM 0 HA THR A 25 20.587 19.573 30.589 1.00 0.00 H new ATOM 0 HB THR A 25 19.563 17.596 30.364 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.430 18.046 32.877 1.00 0.00 H new ATOM 0 HG21 THR A 25 19.044 16.091 32.353 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.771 16.107 31.926 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.188 17.062 33.309 1.00 0.00 H new ATOM 360 N ASP A 26 20.337 20.340 32.986 1.00 0.00 N ATOM 361 CA ASP A 26 20.227 21.147 34.194 1.00 0.00 C ATOM 362 C ASP A 26 19.902 20.234 35.405 1.00 0.00 C ATOM 363 O ASP A 26 20.582 19.232 35.633 1.00 0.00 O ATOM 364 CB ASP A 26 19.147 22.212 33.875 1.00 0.00 C ATOM 365 CG ASP A 26 17.764 21.655 33.521 1.00 0.00 C ATOM 366 OD1 ASP A 26 17.537 20.428 33.654 1.00 0.00 O ATOM 367 OD2 ASP A 26 16.916 22.481 33.147 1.00 0.00 O ATOM 0 H ASP A 26 19.486 20.434 32.431 1.00 0.00 H new ATOM 0 HA ASP A 26 21.150 21.653 34.476 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.045 22.872 34.736 1.00 0.00 H new ATOM 0 HB3 ASP A 26 19.498 22.824 33.044 1.00 0.00 H new ATOM 372 N GLN A 27 18.881 20.563 36.204 1.00 0.00 N ATOM 373 CA GLN A 27 18.360 19.741 37.303 1.00 0.00 C ATOM 374 C GLN A 27 16.932 19.212 37.050 1.00 0.00 C ATOM 375 O GLN A 27 16.446 18.353 37.782 1.00 0.00 O ATOM 376 CB GLN A 27 18.424 20.541 38.609 1.00 0.00 C ATOM 377 CG GLN A 27 17.352 21.637 38.761 1.00 0.00 C ATOM 378 CD GLN A 27 17.321 22.199 40.188 1.00 0.00 C ATOM 379 OE1 GLN A 27 18.331 22.587 40.763 1.00 0.00 O ATOM 380 NE2 GLN A 27 16.174 22.241 40.833 1.00 0.00 N ATOM 0 H GLN A 27 18.375 21.443 36.099 1.00 0.00 H new ATOM 0 HA GLN A 27 18.992 18.856 37.375 1.00 0.00 H new ATOM 0 HB2 GLN A 27 18.333 19.848 39.445 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.408 21.005 38.684 1.00 0.00 H new ATOM 0 HG2 GLN A 27 17.552 22.443 38.056 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.374 21.228 38.509 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.320 21.923 40.375 1.00 0.00 H new ATOM 0 HE22 GLN A 27 16.140 22.591 41.790 1.00 0.00 H new ATOM 389 N TYR A 28 16.254 19.739 36.031 1.00 0.00 N ATOM 390 CA TYR A 28 14.869 19.469 35.643 1.00 0.00 C ATOM 391 C TYR A 28 14.764 18.268 34.697 1.00 0.00 C ATOM 392 O TYR A 28 13.727 17.600 34.656 1.00 0.00 O ATOM 393 CB TYR A 28 14.368 20.711 34.882 1.00 0.00 C ATOM 394 CG TYR A 28 14.150 21.991 35.664 1.00 0.00 C ATOM 395 CD1 TYR A 28 13.738 21.991 37.011 1.00 0.00 C ATOM 396 CD2 TYR A 28 14.347 23.209 34.993 1.00 0.00 C ATOM 397 CE1 TYR A 28 13.520 23.210 37.682 1.00 0.00 C ATOM 398 CE2 TYR A 28 14.116 24.432 35.654 1.00 0.00 C ATOM 399 CZ TYR A 28 13.702 24.436 37.005 1.00 0.00 C ATOM 400 OH TYR A 28 13.455 25.608 37.645 1.00 0.00 O ATOM 0 H TYR A 28 16.692 20.417 35.408 1.00 0.00 H new ATOM 0 HA TYR A 28 14.285 19.250 36.537 1.00 0.00 H new ATOM 0 HB2 TYR A 28 15.082 20.924 34.087 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.425 20.449 34.402 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.589 21.055 37.530 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.677 23.208 33.965 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.213 23.207 38.717 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.255 25.365 35.129 1.00 0.00 H new ATOM 0 HH TYR A 28 13.631 26.356 37.037 1.00 0.00 H new ATOM 410 N GLY A 29 15.835 18.005 33.944 1.00 0.00 N ATOM 411 CA GLY A 29 15.894 16.975 32.897 1.00 0.00 C ATOM 412 C GLY A 29 15.838 17.538 31.467 1.00 0.00 C ATOM 413 O GLY A 29 15.761 16.762 30.511 1.00 0.00 O ATOM 0 H GLY A 29 16.712 18.516 34.047 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.814 16.402 33.016 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.065 16.281 33.037 1.00 0.00 H new ATOM 417 N LEU A 30 15.898 18.865 31.300 1.00 0.00 N ATOM 418 CA LEU A 30 15.949 19.531 29.999 1.00 0.00 C ATOM 419 C LEU A 30 17.313 19.327 29.385 1.00 0.00 C ATOM 420 O LEU A 30 18.291 19.986 29.713 1.00 0.00 O ATOM 421 CB LEU A 30 15.764 21.032 30.109 1.00 0.00 C ATOM 422 CG LEU A 30 14.340 21.520 30.298 1.00 0.00 C ATOM 423 CD1 LEU A 30 13.914 21.037 31.641 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.461 23.015 30.394 1.00 0.00 C ATOM 0 H LEU A 30 15.913 19.517 32.084 1.00 0.00 H new ATOM 0 HA LEU A 30 15.145 19.101 29.401 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.363 21.390 30.946 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.168 21.494 29.208 1.00 0.00 H new ATOM 0 HG LEU A 30 13.656 21.195 29.514 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.891 21.359 31.836 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.964 19.948 31.669 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.575 21.450 32.403 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.472 23.452 30.532 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.095 23.275 31.242 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.904 23.404 29.477 1.00 0.00 H new ATOM 436 N THR A 31 17.361 18.416 28.447 1.00 0.00 N ATOM 437 CA THR A 31 18.565 18.187 27.695 1.00 0.00 C ATOM 438 C THR A 31 18.750 19.322 26.694 1.00 0.00 C ATOM 439 O THR A 31 17.838 19.695 25.952 1.00 0.00 O ATOM 440 CB THR A 31 18.575 16.842 26.986 1.00 0.00 C ATOM 441 OG1 THR A 31 18.306 15.802 27.908 1.00 0.00 O ATOM 442 CG2 THR A 31 19.985 16.692 26.443 1.00 0.00 C ATOM 0 H THR A 31 16.576 17.819 28.186 1.00 0.00 H new ATOM 0 HA THR A 31 19.397 18.165 28.399 1.00 0.00 H new ATOM 0 HB THR A 31 17.820 16.789 26.202 1.00 0.00 H new ATOM 0 HG1 THR A 31 18.313 14.941 27.441 1.00 0.00 H new ATOM 0 HG21 THR A 31 20.073 15.742 25.916 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.199 17.510 25.755 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.697 16.716 27.268 1.00 0.00 H new ATOM 450 N TYR A 32 19.963 19.846 26.665 1.00 0.00 N ATOM 451 CA TYR A 32 20.420 20.928 25.820 1.00 0.00 C ATOM 452 C TYR A 32 21.869 20.681 25.360 1.00 0.00 C ATOM 453 O TYR A 32 22.586 19.832 25.897 1.00 0.00 O ATOM 454 CB TYR A 32 20.209 22.242 26.587 1.00 0.00 C ATOM 455 CG TYR A 32 20.604 22.229 28.051 1.00 0.00 C ATOM 456 CD1 TYR A 32 21.952 22.053 28.378 1.00 0.00 C ATOM 457 CD2 TYR A 32 19.668 22.362 29.095 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.387 22.294 29.695 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.054 22.473 30.427 1.00 0.00 C ATOM 460 CZ TYR A 32 21.439 22.544 30.721 1.00 0.00 C ATOM 461 OH TYR A 32 21.900 22.825 31.968 1.00 0.00 O ATOM 0 H TYR A 32 20.704 19.500 27.275 1.00 0.00 H new ATOM 0 HA TYR A 32 19.846 20.990 24.896 1.00 0.00 H new ATOM 0 HB2 TYR A 32 20.775 23.027 26.086 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.156 22.515 26.518 1.00 0.00 H new ATOM 0 HD1 TYR A 32 22.656 21.734 27.624 1.00 0.00 H new ATOM 0 HD2 TYR A 32 18.615 22.378 28.853 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.442 22.289 29.925 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.318 22.504 31.216 1.00 0.00 H new ATOM 0 HH TYR A 32 21.463 23.635 32.303 1.00 0.00 H new ATOM 471 N ARG A 33 22.307 21.413 24.332 1.00 0.00 N ATOM 472 CA ARG A 33 23.668 21.368 23.771 1.00 0.00 C ATOM 473 C ARG A 33 24.491 22.561 24.227 1.00 0.00 C ATOM 474 O ARG A 33 24.164 23.703 23.914 1.00 0.00 O ATOM 475 CB ARG A 33 23.608 21.306 22.252 1.00 0.00 C ATOM 476 CG ARG A 33 22.921 20.040 21.761 1.00 0.00 C ATOM 477 CD ARG A 33 21.988 20.467 20.625 1.00 0.00 C ATOM 478 NE ARG A 33 21.224 19.326 20.148 1.00 0.00 N ATOM 479 CZ ARG A 33 20.306 19.327 19.197 1.00 0.00 C ATOM 480 NH1 ARG A 33 19.887 20.433 18.647 1.00 0.00 N ATOM 481 NH2 ARG A 33 19.791 18.214 18.767 1.00 0.00 N ATOM 0 H ARG A 33 21.705 22.079 23.847 1.00 0.00 H new ATOM 0 HA ARG A 33 24.158 20.467 24.140 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.074 22.178 21.874 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.619 21.351 21.847 1.00 0.00 H new ATOM 0 HG2 ARG A 33 23.653 19.312 21.410 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.360 19.565 22.566 1.00 0.00 H new ATOM 0 HD2 ARG A 33 21.311 21.247 20.974 1.00 0.00 H new ATOM 0 HD3 ARG A 33 22.570 20.892 19.807 1.00 0.00 H new ATOM 0 HE ARG A 33 21.417 18.429 20.595 1.00 0.00 H new ATOM 0 HH11 ARG A 33 20.269 21.329 18.949 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.177 20.402 17.915 1.00 0.00 H new ATOM 0 HH21 ARG A 33 20.094 17.325 19.164 1.00 0.00 H new ATOM 0 HH22 ARG A 33 19.083 18.230 18.033 1.00 0.00 H new ATOM 495 N THR A 34 25.528 22.281 24.997 1.00 0.00 N ATOM 496 CA THR A 34 26.407 23.263 25.659 1.00 0.00 C ATOM 497 C THR A 34 27.871 22.859 25.657 1.00 0.00 C ATOM 498 O THR A 34 28.196 21.673 25.708 1.00 0.00 O ATOM 499 CB THR A 34 25.989 23.456 27.119 1.00 0.00 C ATOM 500 OG1 THR A 34 25.910 22.207 27.771 1.00 0.00 O ATOM 501 CG2 THR A 34 24.632 24.141 27.200 1.00 0.00 C ATOM 0 H THR A 34 25.804 21.319 25.195 1.00 0.00 H new ATOM 0 HA THR A 34 26.299 24.183 25.084 1.00 0.00 H new ATOM 0 HB THR A 34 26.738 24.080 27.606 1.00 0.00 H new ATOM 0 HG1 THR A 34 25.233 22.249 28.478 1.00 0.00 H new ATOM 0 HG21 THR A 34 24.351 24.270 28.245 1.00 0.00 H new ATOM 0 HG22 THR A 34 24.687 25.116 26.716 1.00 0.00 H new ATOM 0 HG23 THR A 34 23.884 23.528 26.696 1.00 0.00 H new ATOM 509 N CYS A 35 28.765 23.841 25.653 1.00 0.00 N ATOM 510 CA CYS A 35 30.206 23.576 25.547 1.00 0.00 C ATOM 511 C CYS A 35 30.805 22.956 26.832 1.00 0.00 C ATOM 512 O CYS A 35 30.359 23.250 27.942 1.00 0.00 O ATOM 513 CB CYS A 35 30.909 24.870 25.132 1.00 0.00 C ATOM 514 SG CYS A 35 30.187 25.567 23.625 1.00 0.00 S ATOM 0 H CYS A 35 28.524 24.830 25.722 1.00 0.00 H new ATOM 0 HA CYS A 35 30.369 22.817 24.781 1.00 0.00 H new ATOM 0 HB2 CYS A 35 30.839 25.598 25.940 1.00 0.00 H new ATOM 0 HB3 CYS A 35 31.969 24.673 24.971 1.00 0.00 H new ATOM 519 N ASN A 36 31.841 22.122 26.693 1.00 0.00 N ATOM 520 CA ASN A 36 32.584 21.474 27.777 1.00 0.00 C ATOM 521 C ASN A 36 34.104 21.570 27.520 1.00 0.00 C ATOM 522 O ASN A 36 34.552 21.897 26.421 1.00 0.00 O ATOM 523 CB ASN A 36 32.126 19.998 27.871 1.00 0.00 C ATOM 524 CG ASN A 36 32.849 19.220 28.967 1.00 0.00 C ATOM 525 OD1 ASN A 36 33.499 18.123 28.650 1.00 0.00 O flip ATOM 526 ND2 ASN A 36 32.916 19.639 30.114 1.00 0.00 N flip ATOM 0 H ASN A 36 32.202 21.868 25.773 1.00 0.00 H new ATOM 0 HA ASN A 36 32.381 21.976 28.723 1.00 0.00 H new ATOM 0 HB2 ASN A 36 31.053 19.967 28.058 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.296 19.508 26.912 1.00 0.00 H new ATOM 0 HD21 ASN A 36 32.417 20.489 30.376 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.471 19.138 30.808 1.00 0.00 H new ATOM 533 N LEU A 37 34.914 21.266 28.536 1.00 0.00 N ATOM 534 CA LEU A 37 36.357 21.182 28.459 1.00 0.00 C ATOM 535 C LEU A 37 36.884 20.023 27.596 1.00 0.00 C ATOM 536 O LEU A 37 37.993 20.161 27.096 1.00 0.00 O ATOM 537 CB LEU A 37 36.851 21.068 29.894 1.00 0.00 C ATOM 538 CG LEU A 37 36.895 22.460 30.533 1.00 0.00 C ATOM 539 CD1 LEU A 37 36.191 22.419 31.871 1.00 0.00 C ATOM 540 CD2 LEU A 37 38.360 22.789 30.687 1.00 0.00 C ATOM 0 H LEU A 37 34.558 21.065 29.470 1.00 0.00 H new ATOM 0 HA LEU A 37 36.738 22.071 27.957 1.00 0.00 H new ATOM 0 HB2 LEU A 37 36.192 20.415 30.466 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.843 20.616 29.913 1.00 0.00 H new ATOM 0 HG LEU A 37 36.392 23.217 29.932 1.00 0.00 H new ATOM 0 HD11 LEU A 37 36.221 23.408 32.328 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.154 22.117 31.727 1.00 0.00 H new ATOM 0 HD13 LEU A 37 36.691 21.703 32.523 1.00 0.00 H new ATOM 0 HD21 LEU A 37 38.466 23.775 31.140 1.00 0.00 H new ATOM 0 HD22 LEU A 37 38.835 22.044 31.325 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.838 22.786 29.708 1.00 0.00 H new ATOM 552 N LEU A 38 36.121 18.926 27.421 1.00 0.00 N ATOM 553 CA LEU A 38 36.472 17.672 26.728 1.00 0.00 C ATOM 554 C LEU A 38 35.365 17.055 25.831 1.00 0.00 C ATOM 555 O LEU A 38 34.183 17.358 26.036 1.00 0.00 O ATOM 556 CB LEU A 38 36.902 16.640 27.777 1.00 0.00 C ATOM 557 CG LEU A 38 38.387 16.307 27.730 1.00 0.00 C ATOM 558 CD1 LEU A 38 39.173 17.542 28.038 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.564 15.162 28.702 1.00 0.00 C ATOM 0 H LEU A 38 35.170 18.892 27.789 1.00 0.00 H new ATOM 0 HA LEU A 38 37.274 17.936 26.039 1.00 0.00 H new ATOM 0 HB2 LEU A 38 36.654 17.017 28.769 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.328 15.725 27.631 1.00 0.00 H new ATOM 0 HG LEU A 38 38.756 15.989 26.755 1.00 0.00 H new ATOM 0 HD11 LEU A 38 40.238 17.313 28.007 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.946 18.311 27.300 1.00 0.00 H new ATOM 0 HD13 LEU A 38 38.909 17.903 29.032 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.612 14.863 28.725 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.255 15.479 29.698 1.00 0.00 H new ATOM 0 HD23 LEU A 38 37.953 14.317 28.384 1.00 0.00 H new ATOM 571 N PRO A 39 35.744 16.165 24.884 1.00 0.00 N ATOM 572 CA PRO A 39 34.875 15.474 23.922 1.00 0.00 C ATOM 573 C PRO A 39 34.185 14.211 24.460 1.00 0.00 C ATOM 574 O PRO A 39 33.394 13.634 23.682 1.00 0.00 O ATOM 575 CB PRO A 39 35.805 15.117 22.757 1.00 0.00 C ATOM 576 CG PRO A 39 37.152 14.859 23.427 1.00 0.00 C ATOM 577 CD PRO A 39 37.114 15.707 24.700 1.00 0.00 C ATOM 0 HA PRO A 39 34.043 16.123 23.650 1.00 0.00 H new ATOM 0 HB2 PRO A 39 35.452 14.237 22.219 1.00 0.00 H new ATOM 0 HB3 PRO A 39 35.868 15.929 22.033 1.00 0.00 H new ATOM 0 HG2 PRO A 39 37.285 13.802 23.658 1.00 0.00 H new ATOM 0 HG3 PRO A 39 37.980 15.150 22.780 1.00 0.00 H new ATOM 0 HD2 PRO A 39 37.441 15.122 25.560 1.00 0.00 H new ATOM 0 HD3 PRO A 39 37.793 16.555 24.615 1.00 0.00 H new