USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=10 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= 0.126 USER MOD Set 1.2: A 9 ASN : amide:sc= -0.072 K(o=0.054,f=-0.95) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 26:sc= 0.922 USER MOD Single : A 18 CYS SG : rot 23:sc= -0.49 USER MOD Single : A 19 GLN : amide:sc= -0.114 X(o=-0.11,f=0) 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 46:sc= -0.822 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 -98:sc= 1.27 USER MOD Single : A 32 TYR OH : rot 110:sc=-0.00492 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -1.05! X(o=-1!,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 27.981 28.811 27.701 1.00 0.00 N ATOM 45 CA GLU A 4 26.913 29.154 26.752 1.00 0.00 C ATOM 46 C GLU A 4 26.475 27.894 25.967 1.00 0.00 C ATOM 47 O GLU A 4 27.218 26.902 25.921 1.00 0.00 O ATOM 48 CB GLU A 4 27.386 30.299 25.822 1.00 0.00 C ATOM 49 CG GLU A 4 27.542 31.627 26.592 1.00 0.00 C ATOM 50 CD GLU A 4 27.814 32.883 25.748 1.00 0.00 C ATOM 51 OE1 GLU A 4 27.788 32.834 24.495 1.00 0.00 O ATOM 52 OE2 GLU A 4 28.043 33.954 26.366 1.00 0.00 O ATOM 0 HA GLU A 4 26.037 29.514 27.292 1.00 0.00 H new ATOM 0 HB2 GLU A 4 28.338 30.028 25.366 1.00 0.00 H new ATOM 0 HB3 GLU A 4 26.669 30.430 25.011 1.00 0.00 H new ATOM 0 HG2 GLU A 4 26.633 31.795 27.170 1.00 0.00 H new ATOM 0 HG3 GLU A 4 28.357 31.513 27.306 1.00 0.00 H new ATOM 59 N PRO A 5 25.256 27.872 25.392 1.00 0.00 N ATOM 60 CA PRO A 5 24.811 26.770 24.541 1.00 0.00 C ATOM 61 C PRO A 5 25.476 26.836 23.155 1.00 0.00 C ATOM 62 O PRO A 5 25.952 27.894 22.746 1.00 0.00 O ATOM 63 CB PRO A 5 23.287 26.923 24.455 1.00 0.00 C ATOM 64 CG PRO A 5 23.102 28.437 24.547 1.00 0.00 C ATOM 65 CD PRO A 5 24.202 28.871 25.516 1.00 0.00 C ATOM 0 HA PRO A 5 25.090 25.798 24.947 1.00 0.00 H new ATOM 0 HB2 PRO A 5 22.891 26.522 23.522 1.00 0.00 H new ATOM 0 HB3 PRO A 5 22.780 26.402 25.267 1.00 0.00 H new ATOM 0 HG2 PRO A 5 23.213 28.915 23.574 1.00 0.00 H new ATOM 0 HG3 PRO A 5 22.112 28.699 24.920 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.574 29.865 25.266 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.826 28.919 26.538 1.00 0.00 H new ATOM 73 N CYS A 6 25.488 25.722 22.416 1.00 0.00 N ATOM 74 CA CYS A 6 26.156 25.661 21.108 1.00 0.00 C ATOM 75 C CYS A 6 25.493 24.799 20.026 1.00 0.00 C ATOM 76 O CYS A 6 24.877 23.767 20.301 1.00 0.00 O ATOM 77 CB CYS A 6 27.597 25.205 21.315 1.00 0.00 C ATOM 78 SG CYS A 6 27.892 23.555 22.005 1.00 0.00 S ATOM 0 H CYS A 6 25.043 24.849 22.700 1.00 0.00 H new ATOM 0 HA CYS A 6 26.084 26.674 20.712 1.00 0.00 H new ATOM 0 HB2 CYS A 6 28.103 25.256 20.351 1.00 0.00 H new ATOM 0 HB3 CYS A 6 28.083 25.929 21.969 1.00 0.00 H new ATOM 83 N SER A 7 25.692 25.217 18.769 1.00 0.00 N ATOM 84 CA SER A 7 25.271 24.507 17.550 1.00 0.00 C ATOM 85 C SER A 7 26.061 23.193 17.397 1.00 0.00 C ATOM 86 O SER A 7 25.485 22.106 17.337 1.00 0.00 O ATOM 87 CB SER A 7 25.465 25.450 16.349 1.00 0.00 C ATOM 88 OG SER A 7 24.990 24.899 15.133 1.00 0.00 O ATOM 0 H SER A 7 26.170 26.094 18.563 1.00 0.00 H new ATOM 0 HA SER A 7 24.218 24.231 17.609 1.00 0.00 H new ATOM 0 HB2 SER A 7 24.947 26.389 16.543 1.00 0.00 H new ATOM 0 HB3 SER A 7 26.524 25.686 16.246 1.00 0.00 H new ATOM 0 HG SER A 7 25.136 25.539 14.405 1.00 0.00 H new ATOM 94 N SER A 8 27.394 23.293 17.354 1.00 0.00 N ATOM 95 CA SER A 8 28.383 22.207 17.339 1.00 0.00 C ATOM 96 C SER A 8 29.765 22.766 17.730 1.00 0.00 C ATOM 97 O SER A 8 29.878 23.954 18.012 1.00 0.00 O ATOM 98 CB SER A 8 28.432 21.503 15.982 1.00 0.00 C ATOM 99 OG SER A 8 29.161 20.297 16.151 1.00 0.00 O ATOM 0 H SER A 8 27.846 24.207 17.327 1.00 0.00 H new ATOM 0 HA SER A 8 28.084 21.455 18.069 1.00 0.00 H new ATOM 0 HB2 SER A 8 27.424 21.294 15.622 1.00 0.00 H new ATOM 0 HB3 SER A 8 28.911 22.139 15.238 1.00 0.00 H new ATOM 0 HG SER A 8 29.208 19.821 15.296 1.00 0.00 H new ATOM 105 N ASN A 9 30.819 21.940 17.740 1.00 0.00 N ATOM 106 CA ASN A 9 32.179 22.270 18.202 1.00 0.00 C ATOM 107 C ASN A 9 32.681 23.679 17.822 1.00 0.00 C ATOM 108 O ASN A 9 33.140 24.447 18.668 1.00 0.00 O ATOM 109 CB ASN A 9 33.173 21.181 17.728 1.00 0.00 C ATOM 110 CG ASN A 9 33.095 20.851 16.244 1.00 0.00 C ATOM 111 OD1 ASN A 9 33.575 21.582 15.398 1.00 0.00 O ATOM 112 ND2 ASN A 9 32.482 19.752 15.868 1.00 0.00 N ATOM 0 H ASN A 9 30.746 20.977 17.411 1.00 0.00 H new ATOM 0 HA ASN A 9 32.123 22.288 19.290 1.00 0.00 H new ATOM 0 HB2 ASN A 9 34.187 21.507 17.961 1.00 0.00 H new ATOM 0 HB3 ASN A 9 32.992 20.270 18.299 1.00 0.00 H new ATOM 0 HD21 ASN A 9 32.413 19.520 14.877 1.00 0.00 H new ATOM 0 HD22 ASN A 9 32.075 19.130 16.567 1.00 0.00 H new ATOM 119 N SER A 10 32.589 24.026 16.541 1.00 0.00 N ATOM 120 CA SER A 10 33.088 25.267 15.947 1.00 0.00 C ATOM 121 C SER A 10 32.389 26.545 16.440 1.00 0.00 C ATOM 122 O SER A 10 32.877 27.649 16.205 1.00 0.00 O ATOM 123 CB SER A 10 33.012 25.124 14.430 1.00 0.00 C ATOM 124 OG SER A 10 31.681 24.890 14.007 1.00 0.00 O ATOM 0 H SER A 10 32.142 23.420 15.853 1.00 0.00 H new ATOM 0 HA SER A 10 34.119 25.402 16.274 1.00 0.00 H new ATOM 0 HB2 SER A 10 33.394 26.029 13.957 1.00 0.00 H new ATOM 0 HB3 SER A 10 33.650 24.301 14.107 1.00 0.00 H new ATOM 0 HG SER A 10 31.658 24.804 13.031 1.00 0.00 H new ATOM 130 N ASP A 11 31.287 26.399 17.175 1.00 0.00 N ATOM 131 CA ASP A 11 30.528 27.461 17.842 1.00 0.00 C ATOM 132 C ASP A 11 31.141 27.880 19.202 1.00 0.00 C ATOM 133 O ASP A 11 30.644 28.814 19.831 1.00 0.00 O ATOM 134 CB ASP A 11 29.095 26.941 18.041 1.00 0.00 C ATOM 135 CG ASP A 11 28.035 28.030 18.084 1.00 0.00 C ATOM 136 OD1 ASP A 11 28.108 29.002 17.300 1.00 0.00 O ATOM 137 OD2 ASP A 11 27.064 27.851 18.844 1.00 0.00 O ATOM 0 H ASP A 11 30.873 25.480 17.331 1.00 0.00 H new ATOM 0 HA ASP A 11 30.549 28.355 17.219 1.00 0.00 H new ATOM 0 HB2 ASP A 11 28.856 26.250 17.233 1.00 0.00 H new ATOM 0 HB3 ASP A 11 29.053 26.372 18.970 1.00 0.00 H new ATOM 142 N CYS A 12 32.209 27.198 19.653 1.00 0.00 N ATOM 143 CA CYS A 12 32.892 27.393 20.948 1.00 0.00 C ATOM 144 C CYS A 12 34.424 27.317 20.841 1.00 0.00 C ATOM 145 O CYS A 12 35.146 27.769 21.728 1.00 0.00 O ATOM 146 CB CYS A 12 32.486 26.281 21.924 1.00 0.00 C ATOM 147 SG CYS A 12 30.733 25.934 22.139 1.00 0.00 S ATOM 0 H CYS A 12 32.642 26.459 19.098 1.00 0.00 H new ATOM 0 HA CYS A 12 32.597 28.386 21.288 1.00 0.00 H new ATOM 0 HB2 CYS A 12 32.970 25.360 21.599 1.00 0.00 H new ATOM 0 HB3 CYS A 12 32.898 26.530 22.902 1.00 0.00 H new ATOM 152 N ILE A 13 34.938 26.715 19.765 1.00 0.00 N ATOM 153 CA ILE A 13 36.346 26.598 19.434 1.00 0.00 C ATOM 154 C ILE A 13 37.016 27.983 19.455 1.00 0.00 C ATOM 155 O ILE A 13 36.422 29.002 19.105 1.00 0.00 O ATOM 156 CB ILE A 13 36.399 25.892 18.071 1.00 0.00 C ATOM 157 CG1 ILE A 13 36.426 24.379 18.331 1.00 0.00 C ATOM 158 CG2 ILE A 13 37.576 26.294 17.211 1.00 0.00 C ATOM 159 CD1 ILE A 13 36.379 23.470 17.113 1.00 0.00 C ATOM 0 H ILE A 13 34.341 26.273 19.066 1.00 0.00 H new ATOM 0 HA ILE A 13 36.909 26.012 20.160 1.00 0.00 H new ATOM 0 HB ILE A 13 35.517 26.193 17.506 1.00 0.00 H new ATOM 0 HG12 ILE A 13 37.331 24.147 18.892 1.00 0.00 H new ATOM 0 HG13 ILE A 13 35.581 24.130 18.973 1.00 0.00 H new ATOM 0 HG21 ILE A 13 37.539 25.750 16.267 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.534 27.365 17.015 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.504 26.056 17.731 1.00 0.00 H new ATOM 0 HD11 ILE A 13 36.404 22.429 17.435 1.00 0.00 H new ATOM 0 HD12 ILE A 13 35.461 23.655 16.556 1.00 0.00 H new ATOM 0 HD13 ILE A 13 37.238 23.673 16.474 1.00 0.00 H new ATOM 171 N GLY A 14 38.291 28.004 19.827 1.00 0.00 N ATOM 172 CA GLY A 14 39.139 29.197 19.805 1.00 0.00 C ATOM 173 C GLY A 14 38.931 30.185 20.957 1.00 0.00 C ATOM 174 O GLY A 14 39.918 30.631 21.538 1.00 0.00 O ATOM 0 H GLY A 14 38.779 27.173 20.161 1.00 0.00 H new ATOM 0 HA2 GLY A 14 40.181 28.879 19.808 1.00 0.00 H new ATOM 0 HA3 GLY A 14 38.969 29.723 18.865 1.00 0.00 H new ATOM 178 N ILE A 15 37.684 30.531 21.310 1.00 0.00 N ATOM 179 CA ILE A 15 37.391 31.557 22.335 1.00 0.00 C ATOM 180 C ILE A 15 37.894 31.139 23.720 1.00 0.00 C ATOM 181 O ILE A 15 38.207 31.961 24.580 1.00 0.00 O ATOM 182 CB ILE A 15 35.926 32.048 22.287 1.00 0.00 C ATOM 183 CG1 ILE A 15 34.783 31.079 22.643 1.00 0.00 C ATOM 184 CG2 ILE A 15 35.644 32.489 20.849 1.00 0.00 C ATOM 185 CD1 ILE A 15 34.845 30.499 24.050 1.00 0.00 C ATOM 0 H ILE A 15 36.850 30.112 20.898 1.00 0.00 H new ATOM 0 HA ILE A 15 37.969 32.447 22.087 1.00 0.00 H new ATOM 0 HB ILE A 15 35.901 32.808 23.068 1.00 0.00 H new ATOM 0 HG12 ILE A 15 33.834 31.601 22.523 1.00 0.00 H new ATOM 0 HG13 ILE A 15 34.787 30.257 21.927 1.00 0.00 H new ATOM 0 HG21 ILE A 15 34.616 32.844 20.772 1.00 0.00 H new ATOM 0 HG22 ILE A 15 36.327 33.293 20.574 1.00 0.00 H new ATOM 0 HG23 ILE A 15 35.788 31.645 20.175 1.00 0.00 H new ATOM 0 HD11 ILE A 15 33.999 29.830 24.205 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.775 29.943 24.174 1.00 0.00 H new ATOM 0 HD13 ILE A 15 34.806 31.308 24.779 1.00 0.00 H new ATOM 197 N THR A 16 37.962 29.833 23.936 1.00 0.00 N ATOM 198 CA THR A 16 38.511 29.103 25.062 1.00 0.00 C ATOM 199 C THR A 16 38.746 27.668 24.549 1.00 0.00 C ATOM 200 O THR A 16 38.267 27.287 23.482 1.00 0.00 O ATOM 201 CB THR A 16 37.515 29.196 26.224 1.00 0.00 C ATOM 202 OG1 THR A 16 37.611 30.457 26.835 1.00 0.00 O ATOM 203 CG2 THR A 16 37.681 28.168 27.319 1.00 0.00 C ATOM 0 H THR A 16 37.588 29.187 23.241 1.00 0.00 H new ATOM 0 HA THR A 16 39.454 29.498 25.440 1.00 0.00 H new ATOM 0 HB THR A 16 36.548 29.013 25.755 1.00 0.00 H new ATOM 0 HG1 THR A 16 37.950 31.110 26.187 1.00 0.00 H new ATOM 0 HG21 THR A 16 36.924 28.329 28.087 1.00 0.00 H new ATOM 0 HG22 THR A 16 37.566 27.168 26.900 1.00 0.00 H new ATOM 0 HG23 THR A 16 38.673 28.264 27.761 1.00 0.00 H new ATOM 211 N LEU A 17 39.446 26.822 25.305 1.00 0.00 N ATOM 212 CA LEU A 17 39.711 25.408 24.978 1.00 0.00 C ATOM 213 C LEU A 17 38.462 24.483 24.970 1.00 0.00 C ATOM 214 O LEU A 17 38.579 23.269 24.838 1.00 0.00 O ATOM 215 CB LEU A 17 40.783 24.866 25.950 1.00 0.00 C ATOM 216 CG LEU A 17 42.026 25.733 26.152 1.00 0.00 C ATOM 217 CD1 LEU A 17 42.908 24.952 27.108 1.00 0.00 C ATOM 218 CD2 LEU A 17 42.746 25.970 24.835 1.00 0.00 C ATOM 0 H LEU A 17 39.861 27.105 26.193 1.00 0.00 H new ATOM 0 HA LEU A 17 40.064 25.393 23.947 1.00 0.00 H new ATOM 0 HB2 LEU A 17 40.314 24.711 26.922 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.104 23.888 25.592 1.00 0.00 H new ATOM 0 HG LEU A 17 41.769 26.717 26.544 1.00 0.00 H new ATOM 0 HD11 LEU A 17 43.822 25.514 27.301 1.00 0.00 H new ATOM 0 HD12 LEU A 17 42.376 24.792 28.046 1.00 0.00 H new ATOM 0 HD13 LEU A 17 43.161 23.989 26.665 1.00 0.00 H new ATOM 0 HD21 LEU A 17 43.626 26.589 25.008 1.00 0.00 H new ATOM 0 HD22 LEU A 17 43.053 25.014 24.411 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.076 26.477 24.140 1.00 0.00 H new ATOM 230 N CYS A 18 37.267 25.058 25.110 1.00 0.00 N ATOM 231 CA CYS A 18 35.927 24.476 25.241 1.00 0.00 C ATOM 232 C CYS A 18 35.354 23.921 23.910 1.00 0.00 C ATOM 233 O CYS A 18 34.164 24.043 23.624 1.00 0.00 O ATOM 234 CB CYS A 18 35.049 25.594 25.832 1.00 0.00 C ATOM 235 SG CYS A 18 34.864 27.077 24.843 1.00 0.00 S ATOM 0 H CYS A 18 37.207 26.076 25.138 1.00 0.00 H new ATOM 0 HA CYS A 18 35.957 23.598 25.887 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.057 25.184 26.020 1.00 0.00 H new ATOM 0 HB3 CYS A 18 35.465 25.879 26.798 1.00 0.00 H new ATOM 0 HG CYS A 18 35.100 26.799 23.595 1.00 0.00 H new ATOM 240 N GLN A 19 36.201 23.317 23.070 1.00 0.00 N ATOM 241 CA GLN A 19 35.877 22.840 21.714 1.00 0.00 C ATOM 242 C GLN A 19 34.904 21.654 21.605 1.00 0.00 C ATOM 243 O GLN A 19 34.488 21.318 20.497 1.00 0.00 O ATOM 244 CB GLN A 19 37.178 22.470 20.983 1.00 0.00 C ATOM 245 CG GLN A 19 38.015 21.384 21.648 1.00 0.00 C ATOM 246 CD GLN A 19 39.391 21.183 21.008 1.00 0.00 C ATOM 247 OE1 GLN A 19 40.361 20.861 21.679 1.00 0.00 O ATOM 248 NE2 GLN A 19 39.545 21.370 19.713 1.00 0.00 N ATOM 0 H GLN A 19 37.173 23.138 23.323 1.00 0.00 H new ATOM 0 HA GLN A 19 35.349 23.678 21.259 1.00 0.00 H new ATOM 0 HB2 GLN A 19 36.928 22.145 19.973 1.00 0.00 H new ATOM 0 HB3 GLN A 19 37.789 23.368 20.887 1.00 0.00 H new ATOM 0 HG2 GLN A 19 38.148 21.634 22.700 1.00 0.00 H new ATOM 0 HG3 GLN A 19 37.467 20.443 21.611 1.00 0.00 H new ATOM 0 HE21 GLN A 19 38.747 21.639 19.138 1.00 0.00 H new ATOM 0 HE22 GLN A 19 40.463 21.246 19.285 1.00 0.00 H new ATOM 257 N PHE A 20 34.511 21.016 22.707 1.00 0.00 N ATOM 258 CA PHE A 20 33.713 19.792 22.661 1.00 0.00 C ATOM 259 C PHE A 20 32.234 19.986 23.035 1.00 0.00 C ATOM 260 O PHE A 20 31.823 19.832 24.181 1.00 0.00 O ATOM 261 CB PHE A 20 34.469 18.726 23.456 1.00 0.00 C ATOM 262 CG PHE A 20 35.885 18.463 22.944 1.00 0.00 C ATOM 263 CD1 PHE A 20 36.098 17.854 21.693 1.00 0.00 C ATOM 264 CD2 PHE A 20 37.013 18.830 23.705 1.00 0.00 C ATOM 265 CE1 PHE A 20 37.400 17.622 21.216 1.00 0.00 C ATOM 266 CE2 PHE A 20 38.314 18.563 23.252 1.00 0.00 C ATOM 267 CZ PHE A 20 38.516 17.953 22.004 1.00 0.00 C ATOM 0 H PHE A 20 34.735 21.331 23.651 1.00 0.00 H new ATOM 0 HA PHE A 20 33.612 19.447 21.632 1.00 0.00 H new ATOM 0 HB2 PHE A 20 34.522 19.034 24.500 1.00 0.00 H new ATOM 0 HB3 PHE A 20 33.903 17.795 23.427 1.00 0.00 H new ATOM 0 HD1 PHE A 20 35.250 17.561 21.092 1.00 0.00 H new ATOM 0 HD2 PHE A 20 36.874 19.326 24.654 1.00 0.00 H new ATOM 0 HE1 PHE A 20 37.544 17.187 20.238 1.00 0.00 H new ATOM 0 HE2 PHE A 20 39.163 18.828 23.865 1.00 0.00 H new ATOM 0 HZ PHE A 20 39.515 17.741 21.654 1.00 0.00 H new ATOM 277 N CYS A 21 31.405 20.320 22.039 1.00 0.00 N ATOM 278 CA CYS A 21 29.955 20.542 22.147 1.00 0.00 C ATOM 279 C CYS A 21 29.112 19.295 22.486 1.00 0.00 C ATOM 280 O CYS A 21 28.360 18.759 21.662 1.00 0.00 O ATOM 281 CB CYS A 21 29.494 21.254 20.879 1.00 0.00 C ATOM 282 SG CYS A 21 29.639 23.029 21.089 1.00 0.00 S ATOM 0 H CYS A 21 31.743 20.450 21.086 1.00 0.00 H new ATOM 0 HA CYS A 21 29.780 21.170 23.021 1.00 0.00 H new ATOM 0 HB2 CYS A 21 30.095 20.929 20.030 1.00 0.00 H new ATOM 0 HB3 CYS A 21 28.460 20.988 20.658 1.00 0.00 H new ATOM 287 N LYS A 22 29.229 18.867 23.742 1.00 0.00 N ATOM 288 CA LYS A 22 28.489 17.786 24.396 1.00 0.00 C ATOM 289 C LYS A 22 27.017 18.098 24.607 1.00 0.00 C ATOM 290 O LYS A 22 26.564 19.225 24.433 1.00 0.00 O ATOM 291 CB LYS A 22 29.134 17.567 25.779 1.00 0.00 C ATOM 292 CG LYS A 22 30.285 16.578 25.738 1.00 0.00 C ATOM 293 CD LYS A 22 29.770 15.153 25.511 1.00 0.00 C ATOM 294 CE LYS A 22 30.977 14.216 25.640 1.00 0.00 C ATOM 295 NZ LYS A 22 30.680 12.801 25.310 1.00 0.00 N ATOM 0 H LYS A 22 29.896 19.301 24.380 1.00 0.00 H new ATOM 0 HA LYS A 22 28.538 16.909 23.751 1.00 0.00 H new ATOM 0 HB2 LYS A 22 29.494 18.522 26.163 1.00 0.00 H new ATOM 0 HB3 LYS A 22 28.377 17.208 26.476 1.00 0.00 H new ATOM 0 HG2 LYS A 22 30.977 16.851 24.941 1.00 0.00 H new ATOM 0 HG3 LYS A 22 30.843 16.623 26.673 1.00 0.00 H new ATOM 0 HD2 LYS A 22 29.004 14.898 26.243 1.00 0.00 H new ATOM 0 HD3 LYS A 22 29.313 15.060 24.526 1.00 0.00 H new ATOM 0 HE2 LYS A 22 31.772 14.572 24.985 1.00 0.00 H new ATOM 0 HE3 LYS A 22 31.357 14.268 26.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.543 12.230 25.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 29.943 12.442 25.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 30.345 12.737 24.327 1.00 0.00 H new ATOM 309 N GLU A 23 26.289 17.076 25.048 1.00 0.00 N ATOM 310 CA GLU A 23 24.908 17.139 25.457 1.00 0.00 C ATOM 311 C GLU A 23 24.752 16.573 26.874 1.00 0.00 C ATOM 312 O GLU A 23 25.196 15.463 27.173 1.00 0.00 O ATOM 313 CB GLU A 23 23.990 16.472 24.421 1.00 0.00 C ATOM 314 CG GLU A 23 22.564 16.431 24.892 1.00 0.00 C ATOM 315 CD GLU A 23 22.092 15.075 25.451 1.00 0.00 C ATOM 316 OE1 GLU A 23 22.234 14.043 24.771 1.00 0.00 O ATOM 317 OE2 GLU A 23 21.504 15.058 26.571 1.00 0.00 O ATOM 0 H GLU A 23 26.677 16.136 25.130 1.00 0.00 H new ATOM 0 HA GLU A 23 24.590 18.181 25.499 1.00 0.00 H new ATOM 0 HB2 GLU A 23 24.047 17.017 23.479 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.338 15.458 24.224 1.00 0.00 H new ATOM 0 HG2 GLU A 23 22.432 17.189 25.664 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.916 16.707 24.060 1.00 0.00 H new ATOM 324 N LYS A 24 24.160 17.390 27.746 1.00 0.00 N ATOM 325 CA LYS A 24 23.772 17.102 29.130 1.00 0.00 C ATOM 326 C LYS A 24 22.446 17.777 29.444 1.00 0.00 C ATOM 327 O LYS A 24 21.845 18.422 28.589 1.00 0.00 O ATOM 328 CB LYS A 24 24.896 17.554 30.089 1.00 0.00 C ATOM 329 CG LYS A 24 25.013 19.085 30.307 1.00 0.00 C ATOM 330 CD LYS A 24 25.507 19.487 31.711 1.00 0.00 C ATOM 331 CE LYS A 24 27.024 19.335 31.884 1.00 0.00 C ATOM 332 NZ LYS A 24 27.479 19.826 33.208 1.00 0.00 N ATOM 0 H LYS A 24 23.920 18.346 27.483 1.00 0.00 H new ATOM 0 HA LYS A 24 23.634 16.029 29.265 1.00 0.00 H new ATOM 0 HB2 LYS A 24 24.737 17.078 31.057 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.847 17.186 29.705 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.695 19.496 29.563 1.00 0.00 H new ATOM 0 HG3 LYS A 24 24.039 19.541 30.132 1.00 0.00 H new ATOM 0 HD2 LYS A 24 25.228 20.523 31.905 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.000 18.875 32.457 1.00 0.00 H new ATOM 0 HE2 LYS A 24 27.300 18.287 31.771 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.537 19.886 31.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.509 19.707 33.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.239 20.833 33.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.009 19.283 33.960 1.00 0.00 H new ATOM 346 N THR A 25 22.016 17.655 30.691 1.00 0.00 N ATOM 347 CA THR A 25 20.836 18.340 31.193 1.00 0.00 C ATOM 348 C THR A 25 21.105 18.999 32.541 1.00 0.00 C ATOM 349 O THR A 25 22.158 18.826 33.154 1.00 0.00 O ATOM 350 CB THR A 25 19.598 17.460 31.121 1.00 0.00 C ATOM 351 OG1 THR A 25 18.471 18.107 31.602 1.00 0.00 O ATOM 352 CG2 THR A 25 19.628 16.265 31.992 1.00 0.00 C ATOM 0 H THR A 25 22.481 17.073 31.388 1.00 0.00 H new ATOM 0 HA THR A 25 20.601 19.173 30.530 1.00 0.00 H new ATOM 0 HB THR A 25 19.575 17.204 30.062 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.431 19.013 31.231 1.00 0.00 H new ATOM 0 HG21 THR A 25 18.702 15.702 31.870 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.474 15.635 31.717 1.00 0.00 H new ATOM 0 HG23 THR A 25 19.730 16.575 33.032 1.00 0.00 H new ATOM 360 N ASP A 26 20.163 19.843 32.929 1.00 0.00 N ATOM 361 CA ASP A 26 20.032 20.581 34.167 1.00 0.00 C ATOM 362 C ASP A 26 19.412 19.659 35.246 1.00 0.00 C ATOM 363 O ASP A 26 19.602 18.443 35.252 1.00 0.00 O ATOM 364 CB ASP A 26 19.204 21.847 33.832 1.00 0.00 C ATOM 365 CG ASP A 26 17.804 21.564 33.274 1.00 0.00 C ATOM 366 OD1 ASP A 26 17.336 20.409 33.337 1.00 0.00 O ATOM 367 OD2 ASP A 26 17.213 22.532 32.757 1.00 0.00 O ATOM 0 H ASP A 26 19.381 20.048 32.307 1.00 0.00 H new ATOM 0 HA ASP A 26 20.983 20.906 34.589 1.00 0.00 H new ATOM 0 HB2 ASP A 26 19.106 22.451 34.734 1.00 0.00 H new ATOM 0 HB3 ASP A 26 19.756 22.445 33.107 1.00 0.00 H new ATOM 372 N GLN A 27 18.693 20.242 36.202 1.00 0.00 N ATOM 373 CA GLN A 27 17.962 19.528 37.262 1.00 0.00 C ATOM 374 C GLN A 27 16.483 19.249 36.926 1.00 0.00 C ATOM 375 O GLN A 27 15.763 18.646 37.720 1.00 0.00 O ATOM 376 CB GLN A 27 18.079 20.369 38.543 1.00 0.00 C ATOM 377 CG GLN A 27 17.224 21.649 38.479 1.00 0.00 C ATOM 378 CD GLN A 27 17.783 22.758 39.369 1.00 0.00 C ATOM 379 OE1 GLN A 27 18.160 22.561 40.517 1.00 0.00 O ATOM 380 NE2 GLN A 27 17.878 23.965 38.861 1.00 0.00 N ATOM 0 H GLN A 27 18.596 21.255 36.268 1.00 0.00 H new ATOM 0 HA GLN A 27 18.410 18.542 37.383 1.00 0.00 H new ATOM 0 HB2 GLN A 27 17.769 19.769 39.399 1.00 0.00 H new ATOM 0 HB3 GLN A 27 19.123 20.639 38.704 1.00 0.00 H new ATOM 0 HG2 GLN A 27 17.176 22.001 37.449 1.00 0.00 H new ATOM 0 HG3 GLN A 27 16.204 21.419 38.785 1.00 0.00 H new ATOM 0 HE21 GLN A 27 17.567 24.142 37.906 1.00 0.00 H new ATOM 0 HE22 GLN A 27 18.262 24.725 39.422 1.00 0.00 H new ATOM 389 N TYR A 28 16.022 19.727 35.770 1.00 0.00 N ATOM 390 CA TYR A 28 14.655 19.621 35.261 1.00 0.00 C ATOM 391 C TYR A 28 14.515 18.484 34.237 1.00 0.00 C ATOM 392 O TYR A 28 13.403 18.007 34.008 1.00 0.00 O ATOM 393 CB TYR A 28 14.305 20.950 34.578 1.00 0.00 C ATOM 394 CG TYR A 28 14.397 22.216 35.401 1.00 0.00 C ATOM 395 CD1 TYR A 28 14.035 22.263 36.760 1.00 0.00 C ATOM 396 CD2 TYR A 28 14.861 23.372 34.756 1.00 0.00 C ATOM 397 CE1 TYR A 28 14.141 23.476 37.471 1.00 0.00 C ATOM 398 CE2 TYR A 28 14.963 24.587 35.454 1.00 0.00 C ATOM 399 CZ TYR A 28 14.598 24.643 36.817 1.00 0.00 C ATOM 400 OH TYR A 28 14.705 25.808 37.510 1.00 0.00 O ATOM 0 H TYR A 28 16.631 20.230 35.124 1.00 0.00 H new ATOM 0 HA TYR A 28 13.984 19.405 36.093 1.00 0.00 H new ATOM 0 HB2 TYR A 28 14.960 21.065 33.714 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.287 20.872 34.197 1.00 0.00 H new ATOM 0 HD1 TYR A 28 13.677 21.373 37.257 1.00 0.00 H new ATOM 0 HD2 TYR A 28 15.142 23.328 33.714 1.00 0.00 H new ATOM 0 HE1 TYR A 28 13.873 23.514 38.516 1.00 0.00 H new ATOM 0 HE2 TYR A 28 15.319 25.474 34.951 1.00 0.00 H new ATOM 0 HH TYR A 28 15.034 26.514 36.915 1.00 0.00 H new ATOM 410 N GLY A 29 15.620 18.049 33.623 1.00 0.00 N ATOM 411 CA GLY A 29 15.649 17.015 32.579 1.00 0.00 C ATOM 412 C GLY A 29 15.680 17.591 31.158 1.00 0.00 C ATOM 413 O GLY A 29 15.607 16.842 30.180 1.00 0.00 O ATOM 0 H GLY A 29 16.546 18.416 33.844 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.525 16.383 32.727 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.773 16.376 32.686 1.00 0.00 H new ATOM 417 N LEU A 30 15.838 18.914 31.014 1.00 0.00 N ATOM 418 CA LEU A 30 15.963 19.589 29.721 1.00 0.00 C ATOM 419 C LEU A 30 17.354 19.352 29.208 1.00 0.00 C ATOM 420 O LEU A 30 18.330 19.861 29.754 1.00 0.00 O ATOM 421 CB LEU A 30 15.856 21.099 29.822 1.00 0.00 C ATOM 422 CG LEU A 30 14.462 21.682 29.960 1.00 0.00 C ATOM 423 CD1 LEU A 30 13.961 21.177 31.268 1.00 0.00 C ATOM 424 CD2 LEU A 30 14.687 23.166 30.097 1.00 0.00 C ATOM 0 H LEU A 30 15.883 19.553 31.808 1.00 0.00 H new ATOM 0 HA LEU A 30 15.164 19.199 29.090 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.446 21.424 30.679 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.318 21.532 28.935 1.00 0.00 H new ATOM 0 HG LEU A 30 13.782 21.439 29.143 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.954 21.556 31.443 1.00 0.00 H new ATOM 0 HD12 LEU A 30 13.942 20.087 31.254 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.620 21.518 32.066 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.727 23.671 30.202 1.00 0.00 H new ATOM 0 HD22 LEU A 30 15.299 23.361 30.978 1.00 0.00 H new ATOM 0 HD23 LEU A 30 15.198 23.540 29.210 1.00 0.00 H new ATOM 436 N THR A 31 17.454 18.589 28.156 1.00 0.00 N ATOM 437 CA THR A 31 18.730 18.365 27.524 1.00 0.00 C ATOM 438 C THR A 31 19.052 19.641 26.742 1.00 0.00 C ATOM 439 O THR A 31 18.183 20.244 26.109 1.00 0.00 O ATOM 440 CB THR A 31 18.714 17.111 26.638 1.00 0.00 C ATOM 441 OG1 THR A 31 19.150 16.002 27.392 1.00 0.00 O ATOM 442 CG2 THR A 31 19.618 17.322 25.438 1.00 0.00 C ATOM 0 H THR A 31 16.669 18.110 27.715 1.00 0.00 H new ATOM 0 HA THR A 31 19.508 18.169 28.262 1.00 0.00 H new ATOM 0 HB THR A 31 17.701 16.924 26.283 1.00 0.00 H new ATOM 0 HG1 THR A 31 20.098 15.833 27.207 1.00 0.00 H new ATOM 0 HG21 THR A 31 19.605 16.430 24.811 1.00 0.00 H new ATOM 0 HG22 THR A 31 19.264 18.176 24.861 1.00 0.00 H new ATOM 0 HG23 THR A 31 20.636 17.511 25.778 1.00 0.00 H new ATOM 450 N TYR A 32 20.322 20.015 26.738 1.00 0.00 N ATOM 451 CA TYR A 32 20.860 21.108 25.959 1.00 0.00 C ATOM 452 C TYR A 32 22.300 20.789 25.543 1.00 0.00 C ATOM 453 O TYR A 32 22.990 19.954 26.136 1.00 0.00 O ATOM 454 CB TYR A 32 20.738 22.399 26.766 1.00 0.00 C ATOM 455 CG TYR A 32 21.057 22.242 28.235 1.00 0.00 C ATOM 456 CD1 TYR A 32 22.391 22.083 28.600 1.00 0.00 C ATOM 457 CD2 TYR A 32 20.058 22.160 29.221 1.00 0.00 C ATOM 458 CE1 TYR A 32 22.751 22.057 29.959 1.00 0.00 C ATOM 459 CE2 TYR A 32 20.371 22.007 30.570 1.00 0.00 C ATOM 460 CZ TYR A 32 21.743 22.011 30.952 1.00 0.00 C ATOM 461 OH TYR A 32 22.132 21.903 32.247 1.00 0.00 O ATOM 0 H TYR A 32 21.030 19.544 27.301 1.00 0.00 H new ATOM 0 HA TYR A 32 20.295 21.246 25.037 1.00 0.00 H new ATOM 0 HB2 TYR A 32 21.406 23.147 26.338 1.00 0.00 H new ATOM 0 HB3 TYR A 32 19.723 22.783 26.665 1.00 0.00 H new ATOM 0 HD1 TYR A 32 23.150 21.980 27.839 1.00 0.00 H new ATOM 0 HD2 TYR A 32 19.021 22.217 28.925 1.00 0.00 H new ATOM 0 HE1 TYR A 32 23.793 22.072 30.244 1.00 0.00 H new ATOM 0 HE2 TYR A 32 19.592 21.888 31.308 1.00 0.00 H new ATOM 0 HH TYR A 32 21.948 22.744 32.715 1.00 0.00 H new ATOM 471 N ARG A 33 22.771 21.463 24.499 1.00 0.00 N ATOM 472 CA ARG A 33 24.106 21.329 23.945 1.00 0.00 C ATOM 473 C ARG A 33 24.989 22.459 24.433 1.00 0.00 C ATOM 474 O ARG A 33 24.637 23.622 24.269 1.00 0.00 O ATOM 475 CB ARG A 33 23.981 21.345 22.432 1.00 0.00 C ATOM 476 CG ARG A 33 23.144 20.140 21.975 1.00 0.00 C ATOM 477 CD ARG A 33 23.433 19.855 20.506 1.00 0.00 C ATOM 478 NE ARG A 33 24.823 19.388 20.412 1.00 0.00 N ATOM 479 CZ ARG A 33 25.470 19.024 19.323 1.00 0.00 C ATOM 480 NH1 ARG A 33 24.936 19.163 18.147 1.00 0.00 N ATOM 481 NH2 ARG A 33 26.655 18.484 19.389 1.00 0.00 N ATOM 0 H ARG A 33 22.205 22.147 23.997 1.00 0.00 H new ATOM 0 HA ARG A 33 24.567 20.395 24.267 1.00 0.00 H new ATOM 0 HB2 ARG A 33 23.511 22.273 22.105 1.00 0.00 H new ATOM 0 HB3 ARG A 33 24.970 21.309 21.974 1.00 0.00 H new ATOM 0 HG2 ARG A 33 23.383 19.266 22.581 1.00 0.00 H new ATOM 0 HG3 ARG A 33 22.083 20.345 22.116 1.00 0.00 H new ATOM 0 HD2 ARG A 33 22.748 19.100 20.120 1.00 0.00 H new ATOM 0 HD3 ARG A 33 23.289 20.753 19.906 1.00 0.00 H new ATOM 0 HE ARG A 33 25.345 19.340 21.287 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.001 19.560 18.055 1.00 0.00 H new ATOM 0 HH12 ARG A 33 25.452 18.876 17.315 1.00 0.00 H new ATOM 0 HH21 ARG A 33 27.098 18.336 20.296 1.00 0.00 H new ATOM 0 HH22 ARG A 33 27.139 18.209 18.534 1.00 0.00 H new ATOM 495 N THR A 34 26.116 22.114 25.035 1.00 0.00 N ATOM 496 CA THR A 34 27.015 23.084 25.685 1.00 0.00 C ATOM 497 C THR A 34 28.491 22.794 25.443 1.00 0.00 C ATOM 498 O THR A 34 28.899 21.643 25.271 1.00 0.00 O ATOM 499 CB THR A 34 26.738 23.108 27.200 1.00 0.00 C ATOM 500 OG1 THR A 34 26.764 21.790 27.702 1.00 0.00 O ATOM 501 CG2 THR A 34 25.381 23.735 27.529 1.00 0.00 C ATOM 0 H THR A 34 26.444 21.150 25.093 1.00 0.00 H new ATOM 0 HA THR A 34 26.806 24.056 25.237 1.00 0.00 H new ATOM 0 HB THR A 34 27.513 23.717 27.665 1.00 0.00 H new ATOM 0 HG1 THR A 34 26.590 21.804 28.666 1.00 0.00 H new ATOM 0 HG21 THR A 34 25.230 23.730 28.608 1.00 0.00 H new ATOM 0 HG22 THR A 34 25.357 24.762 27.164 1.00 0.00 H new ATOM 0 HG23 THR A 34 24.589 23.160 27.049 1.00 0.00 H new ATOM 509 N CYS A 35 29.290 23.856 25.477 1.00 0.00 N ATOM 510 CA CYS A 35 30.731 23.850 25.224 1.00 0.00 C ATOM 511 C CYS A 35 31.551 23.126 26.327 1.00 0.00 C ATOM 512 O CYS A 35 32.098 23.773 27.223 1.00 0.00 O ATOM 513 CB CYS A 35 31.186 25.310 25.108 1.00 0.00 C ATOM 514 SG CYS A 35 30.277 26.469 24.043 1.00 0.00 S ATOM 0 H CYS A 35 28.936 24.788 25.691 1.00 0.00 H new ATOM 0 HA CYS A 35 30.914 23.292 24.305 1.00 0.00 H new ATOM 0 HB2 CYS A 35 31.187 25.729 26.114 1.00 0.00 H new ATOM 0 HB3 CYS A 35 32.221 25.300 24.765 1.00 0.00 H new ATOM 519 N ASN A 36 31.646 21.789 26.315 1.00 0.00 N ATOM 520 CA ASN A 36 32.463 21.065 27.300 1.00 0.00 C ATOM 521 C ASN A 36 33.972 21.165 27.004 1.00 0.00 C ATOM 522 O ASN A 36 34.416 21.378 25.872 1.00 0.00 O ATOM 523 CB ASN A 36 32.027 19.587 27.426 1.00 0.00 C ATOM 524 CG ASN A 36 32.675 18.929 28.635 1.00 0.00 C ATOM 525 OD1 ASN A 36 32.665 19.462 29.731 1.00 0.00 O ATOM 526 ND2 ASN A 36 33.352 17.818 28.483 1.00 0.00 N ATOM 0 H ASN A 36 31.171 21.190 25.639 1.00 0.00 H new ATOM 0 HA ASN A 36 32.289 21.554 28.258 1.00 0.00 H new ATOM 0 HB2 ASN A 36 30.942 19.530 27.515 1.00 0.00 H new ATOM 0 HB3 ASN A 36 32.302 19.045 26.521 1.00 0.00 H new ATOM 0 HD21 ASN A 36 33.857 17.416 29.273 1.00 0.00 H new ATOM 0 HD22 ASN A 36 33.374 17.355 27.575 1.00 0.00 H new ATOM 533 N LEU A 37 34.773 20.948 28.051 1.00 0.00 N ATOM 534 CA LEU A 37 36.218 20.879 28.006 1.00 0.00 C ATOM 535 C LEU A 37 36.772 19.662 27.244 1.00 0.00 C ATOM 536 O LEU A 37 37.858 19.801 26.689 1.00 0.00 O ATOM 537 CB LEU A 37 36.742 20.904 29.463 1.00 0.00 C ATOM 538 CG LEU A 37 37.489 22.138 29.917 1.00 0.00 C ATOM 539 CD1 LEU A 37 38.695 22.261 29.031 1.00 0.00 C ATOM 540 CD2 LEU A 37 36.545 23.310 29.879 1.00 0.00 C ATOM 0 H LEU A 37 34.405 20.811 28.992 1.00 0.00 H new ATOM 0 HA LEU A 37 36.574 21.741 27.441 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.891 20.763 30.129 1.00 0.00 H new ATOM 0 HB3 LEU A 37 37.399 20.045 29.599 1.00 0.00 H new ATOM 0 HG LEU A 37 37.846 22.088 30.946 1.00 0.00 H new ATOM 0 HD11 LEU A 37 39.270 23.141 29.320 1.00 0.00 H new ATOM 0 HD12 LEU A 37 39.316 21.371 29.136 1.00 0.00 H new ATOM 0 HD13 LEU A 37 38.376 22.360 27.994 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.068 24.209 30.204 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.180 23.450 28.862 1.00 0.00 H new ATOM 0 HD23 LEU A 37 35.702 23.120 30.544 1.00 0.00 H new ATOM 552 N LEU A 38 36.061 18.514 27.215 1.00 0.00 N ATOM 553 CA LEU A 38 36.440 17.216 26.593 1.00 0.00 C ATOM 554 C LEU A 38 35.300 16.600 25.736 1.00 0.00 C ATOM 555 O LEU A 38 34.125 16.886 25.997 1.00 0.00 O ATOM 556 CB LEU A 38 36.842 16.170 27.673 1.00 0.00 C ATOM 557 CG LEU A 38 38.262 16.063 28.186 1.00 0.00 C ATOM 558 CD1 LEU A 38 39.127 15.442 27.127 1.00 0.00 C ATOM 559 CD2 LEU A 38 38.735 17.438 28.501 1.00 0.00 C ATOM 0 H LEU A 38 35.142 18.461 27.655 1.00 0.00 H new ATOM 0 HA LEU A 38 37.286 17.444 25.944 1.00 0.00 H new ATOM 0 HB2 LEU A 38 36.206 16.350 28.540 1.00 0.00 H new ATOM 0 HB3 LEU A 38 36.574 15.190 27.279 1.00 0.00 H new ATOM 0 HG LEU A 38 38.309 15.439 29.079 1.00 0.00 H new ATOM 0 HD11 LEU A 38 40.151 15.363 27.493 1.00 0.00 H new ATOM 0 HD12 LEU A 38 38.750 14.448 26.886 1.00 0.00 H new ATOM 0 HD13 LEU A 38 39.109 16.063 26.232 1.00 0.00 H new ATOM 0 HD21 LEU A 38 39.758 17.394 28.874 1.00 0.00 H new ATOM 0 HD22 LEU A 38 38.703 18.049 27.599 1.00 0.00 H new ATOM 0 HD23 LEU A 38 38.090 17.879 29.261 1.00 0.00 H new ATOM 571 N PRO A 39 35.629 15.737 24.753 1.00 0.00 N ATOM 572 CA PRO A 39 34.687 14.989 23.918 1.00 0.00 C ATOM 573 C PRO A 39 34.063 13.768 24.612 1.00 0.00 C ATOM 574 O PRO A 39 34.376 13.469 25.782 1.00 0.00 O ATOM 575 CB PRO A 39 35.504 14.573 22.694 1.00 0.00 C ATOM 576 CG PRO A 39 36.909 14.369 23.249 1.00 0.00 C ATOM 577 CD PRO A 39 36.988 15.374 24.396 1.00 0.00 C ATOM 0 HA PRO A 39 33.826 15.609 23.671 1.00 0.00 H new ATOM 0 HB2 PRO A 39 35.115 13.660 22.244 1.00 0.00 H new ATOM 0 HB3 PRO A 39 35.487 15.341 21.921 1.00 0.00 H new ATOM 0 HG2 PRO A 39 37.058 13.348 23.599 1.00 0.00 H new ATOM 0 HG3 PRO A 39 37.671 14.561 22.494 1.00 0.00 H new ATOM 0 HD2 PRO A 39 37.506 14.940 25.251 1.00 0.00 H new ATOM 0 HD3 PRO A 39 37.554 16.256 24.095 1.00 0.00 H new