USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 55 THR OG1 : rot -79:sc= 1.94 USER MOD Set 1.2: A 57 SER OG : rot -30:sc= 1.03 USER MOD Set 2.1: A 7 THR OG1 : rot -65:sc= 1.19 USER MOD Set 2.2: A 9 THR OG1 : rot 6:sc= 0.00457 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= 2.46 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -134:sc= 1.31 (180deg=0.0731!) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -97:sc= 0.248 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.177 X(o=0.18,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ -169:sc= 1.17 (180deg=1.04) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.499 (180deg=0.41) USER MOD Single : A 31 GLN : amide:sc= -0.122 K(o=-0.12,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.58 K(o=1.6,f=-5.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.439 K(o=0.44,f=-0.098) USER MOD Single : A 59 TYR OH : rot 15:sc= 0.262 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 62 GLN : amide:sc= 0.941 K(o=0.94,f=-5.6!) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.06) USER MOD Single : A 65 SER OG : rot 90:sc= 1.06 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.271 30.678 16.348 1.00 0.00 N ATOM 2 CA MET A 1 14.117 30.380 17.780 1.00 0.00 C ATOM 3 C MET A 1 15.287 31.107 18.450 1.00 0.00 C ATOM 4 O MET A 1 16.405 30.739 18.121 1.00 0.00 O ATOM 5 CB MET A 1 14.125 28.859 17.947 1.00 0.00 C ATOM 6 CG MET A 1 13.660 28.467 19.352 1.00 0.00 C ATOM 7 SD MET A 1 13.790 26.733 19.861 1.00 0.00 S ATOM 8 CE MET A 1 15.547 26.531 20.246 1.00 0.00 C ATOM 0 H1 MET A 1 13.528 30.189 15.810 1.00 0.00 H new ATOM 0 H2 MET A 1 14.191 31.704 16.196 1.00 0.00 H new ATOM 0 H3 MET A 1 15.204 30.352 16.024 1.00 0.00 H new ATOM 0 HA MET A 1 13.186 30.718 18.235 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.473 28.403 17.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.129 28.474 17.770 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.227 29.064 20.066 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.615 28.762 19.448 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.734 25.506 20.567 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.141 26.747 19.358 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.826 27.218 21.045 1.00 0.00 H new ATOM 20 N GLN A 2 15.114 32.068 19.354 1.00 0.00 N ATOM 21 CA GLN A 2 16.162 32.805 20.034 1.00 0.00 C ATOM 22 C GLN A 2 16.820 32.007 21.154 1.00 0.00 C ATOM 23 O GLN A 2 16.105 31.434 21.973 1.00 0.00 O ATOM 24 CB GLN A 2 15.575 34.089 20.615 1.00 0.00 C ATOM 25 CG GLN A 2 15.452 35.179 19.547 1.00 0.00 C ATOM 26 CD GLN A 2 14.509 36.308 19.923 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.231 36.531 21.107 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.974 37.092 18.996 1.00 0.00 N ATOM 0 H GLN A 2 14.183 32.366 19.644 1.00 0.00 H new ATOM 0 HA GLN A 2 16.934 33.023 19.296 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.593 33.882 21.041 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.207 34.444 21.429 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.440 35.595 19.351 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.107 34.726 18.618 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.184 36.933 18.011 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.352 37.853 19.269 1.00 0.00 H new ATOM 37 N ILE A 3 18.129 32.228 21.282 1.00 0.00 N ATOM 38 CA ILE A 3 18.981 31.723 22.340 1.00 0.00 C ATOM 39 C ILE A 3 19.947 32.849 22.712 1.00 0.00 C ATOM 40 O ILE A 3 20.234 33.772 21.941 1.00 0.00 O ATOM 41 CB ILE A 3 19.560 30.342 22.027 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.377 30.377 20.737 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.534 29.207 22.065 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.199 29.151 20.333 1.00 0.00 C ATOM 0 H ILE A 3 18.644 32.796 20.609 1.00 0.00 H new ATOM 0 HA ILE A 3 18.427 31.484 23.248 1.00 0.00 H new ATOM 0 HB ILE A 3 20.241 30.098 22.842 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.688 30.593 19.920 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.063 31.221 20.807 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.027 28.263 21.832 1.00 0.00 H new ATOM 0 HG22 ILE A 3 18.092 29.150 23.060 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.752 29.399 21.331 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.714 29.352 19.393 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.932 28.933 21.109 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.537 28.294 20.208 1.00 0.00 H new ATOM 56 N PHE A 4 20.672 32.702 23.819 1.00 0.00 N ATOM 57 CA PHE A 4 21.894 33.445 24.049 1.00 0.00 C ATOM 58 C PHE A 4 22.958 32.547 24.672 1.00 0.00 C ATOM 59 O PHE A 4 22.639 31.835 25.629 1.00 0.00 O ATOM 60 CB PHE A 4 21.512 34.661 24.893 1.00 0.00 C ATOM 61 CG PHE A 4 20.254 34.596 25.736 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.180 33.728 26.823 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.147 35.397 25.438 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.027 33.631 27.609 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.030 35.332 26.274 1.00 0.00 C ATOM 66 CZ PHE A 4 17.925 34.453 27.366 1.00 0.00 C ATOM 0 H PHE A 4 20.424 32.065 24.576 1.00 0.00 H new ATOM 0 HA PHE A 4 22.351 33.798 23.124 1.00 0.00 H new ATOM 0 HB2 PHE A 4 22.347 34.875 25.561 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.415 35.513 24.220 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.035 33.114 27.065 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.156 36.052 24.579 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.989 32.912 28.414 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.201 35.994 26.070 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.040 34.416 27.984 1.00 0.00 H new ATOM 76 N VAL A 5 24.167 32.621 24.133 1.00 0.00 N ATOM 77 CA VAL A 5 25.349 31.956 24.635 1.00 0.00 C ATOM 78 C VAL A 5 25.943 33.044 25.534 1.00 0.00 C ATOM 79 O VAL A 5 26.543 34.001 25.076 1.00 0.00 O ATOM 80 CB VAL A 5 26.312 31.596 23.506 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.502 30.772 23.992 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.630 30.857 22.353 1.00 0.00 C ATOM 0 H VAL A 5 24.353 33.173 23.296 1.00 0.00 H new ATOM 0 HA VAL A 5 25.146 31.012 25.140 1.00 0.00 H new ATOM 0 HB VAL A 5 26.674 32.555 23.135 1.00 0.00 H new ATOM 0 HG11 VAL A 5 28.155 30.544 23.149 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.058 31.340 24.738 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.144 29.843 24.436 1.00 0.00 H new ATOM 0 HG21 VAL A 5 26.365 30.628 21.582 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.192 29.930 22.723 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.846 31.485 21.931 1.00 0.00 H new ATOM 92 N LYS A 6 25.844 32.926 26.860 1.00 0.00 N ATOM 93 CA LYS A 6 26.482 33.752 27.862 1.00 0.00 C ATOM 94 C LYS A 6 27.754 33.076 28.371 1.00 0.00 C ATOM 95 O LYS A 6 27.775 31.976 28.918 1.00 0.00 O ATOM 96 CB LYS A 6 25.519 33.890 29.044 1.00 0.00 C ATOM 97 CG LYS A 6 24.051 34.224 28.823 1.00 0.00 C ATOM 98 CD LYS A 6 23.249 34.432 30.115 1.00 0.00 C ATOM 99 CE LYS A 6 21.809 34.876 29.844 1.00 0.00 C ATOM 100 NZ LYS A 6 21.071 35.291 31.056 1.00 0.00 N ATOM 0 H LYS A 6 25.272 32.194 27.282 1.00 0.00 H new ATOM 0 HA LYS A 6 26.731 34.721 27.429 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.553 32.950 29.595 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.926 34.659 29.700 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.983 35.128 28.218 1.00 0.00 H new ATOM 0 HG3 LYS A 6 23.590 33.420 28.249 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.239 33.504 30.686 1.00 0.00 H new ATOM 0 HD3 LYS A 6 23.747 35.180 30.732 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.822 35.705 29.137 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.271 34.058 29.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 20.106 35.577 30.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 21.027 34.496 31.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 21.560 36.092 31.503 1.00 0.00 H new ATOM 114 N THR A 7 28.894 33.572 27.918 1.00 0.00 N ATOM 115 CA THR A 7 30.133 32.825 28.014 1.00 0.00 C ATOM 116 C THR A 7 30.865 33.015 29.343 1.00 0.00 C ATOM 117 O THR A 7 30.895 34.044 30.023 1.00 0.00 O ATOM 118 CB THR A 7 31.084 33.294 26.905 1.00 0.00 C ATOM 119 OG1 THR A 7 31.574 34.612 26.947 1.00 0.00 O ATOM 120 CG2 THR A 7 30.527 33.033 25.509 1.00 0.00 C ATOM 0 H THR A 7 28.985 34.489 27.481 1.00 0.00 H new ATOM 0 HA THR A 7 29.861 31.773 27.925 1.00 0.00 H new ATOM 0 HB THR A 7 31.949 32.669 27.126 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.832 35.241 26.829 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.239 33.384 24.762 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.360 31.964 25.378 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.583 33.565 25.389 1.00 0.00 H new ATOM 128 N LEU A 8 31.564 32.014 29.872 1.00 0.00 N ATOM 129 CA LEU A 8 32.321 32.039 31.104 1.00 0.00 C ATOM 130 C LEU A 8 33.566 32.913 30.920 1.00 0.00 C ATOM 131 O LEU A 8 34.020 33.616 31.820 1.00 0.00 O ATOM 132 CB LEU A 8 32.638 30.644 31.639 1.00 0.00 C ATOM 133 CG LEU A 8 33.243 29.516 30.801 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.756 29.659 30.670 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.915 28.122 31.364 1.00 0.00 C ATOM 0 H LEU A 8 31.615 31.104 29.413 1.00 0.00 H new ATOM 0 HA LEU A 8 31.701 32.489 31.880 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.312 30.789 32.483 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.703 30.254 32.041 1.00 0.00 H new ATOM 0 HG LEU A 8 32.787 29.605 29.815 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.148 28.839 30.068 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.991 30.608 30.188 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.211 29.632 31.660 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.368 27.358 30.732 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.310 28.036 32.376 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.834 27.982 31.383 1.00 0.00 H new ATOM 147 N THR A 9 34.037 32.962 29.680 1.00 0.00 N ATOM 148 CA THR A 9 34.948 34.004 29.247 1.00 0.00 C ATOM 149 C THR A 9 34.489 35.467 29.260 1.00 0.00 C ATOM 150 O THR A 9 35.347 36.337 29.241 1.00 0.00 O ATOM 151 CB THR A 9 35.567 33.418 27.974 1.00 0.00 C ATOM 152 OG1 THR A 9 34.598 33.380 26.953 1.00 0.00 O ATOM 153 CG2 THR A 9 36.359 32.127 28.187 1.00 0.00 C ATOM 0 H THR A 9 33.799 32.285 28.955 1.00 0.00 H new ATOM 0 HA THR A 9 35.704 34.216 30.003 1.00 0.00 H new ATOM 0 HB THR A 9 36.357 34.090 27.637 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.781 33.824 27.261 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.760 31.785 27.233 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.179 32.314 28.880 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.702 31.361 28.600 1.00 0.00 H new ATOM 161 N GLY A 10 33.215 35.736 29.526 1.00 0.00 N ATOM 162 CA GLY A 10 32.651 36.920 30.154 1.00 0.00 C ATOM 163 C GLY A 10 31.630 37.733 29.377 1.00 0.00 C ATOM 164 O GLY A 10 31.045 38.587 30.037 1.00 0.00 O ATOM 0 H GLY A 10 32.485 35.066 29.284 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.186 36.610 31.090 1.00 0.00 H new ATOM 0 HA3 GLY A 10 33.476 37.583 30.413 1.00 0.00 H new ATOM 168 N LYS A 11 31.273 37.518 28.111 1.00 0.00 N ATOM 169 CA LYS A 11 30.341 38.309 27.339 1.00 0.00 C ATOM 170 C LYS A 11 29.161 37.459 26.851 1.00 0.00 C ATOM 171 O LYS A 11 29.362 36.248 26.744 1.00 0.00 O ATOM 172 CB LYS A 11 31.159 38.813 26.152 1.00 0.00 C ATOM 173 CG LYS A 11 31.665 37.714 25.207 1.00 0.00 C ATOM 174 CD LYS A 11 32.394 38.416 24.055 1.00 0.00 C ATOM 175 CE LYS A 11 32.650 37.529 22.836 1.00 0.00 C ATOM 176 NZ LYS A 11 33.344 38.174 21.721 1.00 0.00 N ATOM 0 H LYS A 11 31.654 36.739 27.574 1.00 0.00 H new ATOM 0 HA LYS A 11 29.910 39.118 27.928 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.550 39.513 25.580 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.016 39.371 26.530 1.00 0.00 H new ATOM 0 HG2 LYS A 11 32.336 37.034 25.731 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.835 37.116 24.831 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.808 39.281 23.743 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.349 38.793 24.422 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.234 36.665 23.154 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.693 37.152 22.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.860 37.942 20.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.339 39.205 21.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.326 37.835 21.680 1.00 0.00 H new ATOM 190 N THR A 12 28.055 38.090 26.483 1.00 0.00 N ATOM 191 CA THR A 12 26.932 37.347 25.957 1.00 0.00 C ATOM 192 C THR A 12 26.919 37.449 24.434 1.00 0.00 C ATOM 193 O THR A 12 27.129 38.528 23.876 1.00 0.00 O ATOM 194 CB THR A 12 25.610 37.917 26.475 1.00 0.00 C ATOM 195 OG1 THR A 12 25.306 37.396 27.741 1.00 0.00 O ATOM 196 CG2 THR A 12 24.314 37.536 25.750 1.00 0.00 C ATOM 0 H THR A 12 27.917 39.099 26.539 1.00 0.00 H new ATOM 0 HA THR A 12 27.036 36.311 26.278 1.00 0.00 H new ATOM 0 HB THR A 12 25.822 38.982 26.377 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.550 37.887 28.124 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.468 38.020 26.238 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.369 37.862 24.711 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.182 36.455 25.784 1.00 0.00 H new ATOM 204 N ILE A 13 26.669 36.357 23.721 1.00 0.00 N ATOM 205 CA ILE A 13 26.271 36.458 22.333 1.00 0.00 C ATOM 206 C ILE A 13 24.828 35.953 22.265 1.00 0.00 C ATOM 207 O ILE A 13 24.634 34.764 22.520 1.00 0.00 O ATOM 208 CB ILE A 13 27.165 35.555 21.470 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.584 35.463 22.055 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.952 35.962 20.010 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.517 34.586 21.221 1.00 0.00 C ATOM 0 H ILE A 13 26.735 35.405 24.081 1.00 0.00 H new ATOM 0 HA ILE A 13 26.360 37.481 21.968 1.00 0.00 H new ATOM 0 HB ILE A 13 26.897 34.499 21.485 1.00 0.00 H new ATOM 0 HG12 ILE A 13 29.006 36.465 22.129 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.528 35.064 23.068 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.573 35.340 19.365 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.904 35.827 19.744 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.228 37.008 19.880 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.503 34.560 21.685 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.115 33.574 21.168 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.600 34.997 20.215 1.00 0.00 H new ATOM 223 N THR A 14 23.905 36.806 21.841 1.00 0.00 N ATOM 224 CA THR A 14 22.517 36.594 21.483 1.00 0.00 C ATOM 225 C THR A 14 22.531 35.930 20.105 1.00 0.00 C ATOM 226 O THR A 14 23.145 36.509 19.196 1.00 0.00 O ATOM 227 CB THR A 14 21.752 37.915 21.625 1.00 0.00 C ATOM 228 OG1 THR A 14 21.969 38.529 22.874 1.00 0.00 O ATOM 229 CG2 THR A 14 20.257 37.762 21.348 1.00 0.00 C ATOM 0 H THR A 14 24.150 37.790 21.727 1.00 0.00 H new ATOM 0 HA THR A 14 21.968 35.921 22.141 1.00 0.00 H new ATOM 0 HB THR A 14 22.159 38.573 20.858 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.464 39.367 22.919 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.765 38.728 21.463 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.111 37.399 20.331 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.827 37.050 22.053 1.00 0.00 H new ATOM 237 N LEU A 15 21.867 34.797 19.936 1.00 0.00 N ATOM 238 CA LEU A 15 21.968 34.059 18.686 1.00 0.00 C ATOM 239 C LEU A 15 20.565 33.520 18.403 1.00 0.00 C ATOM 240 O LEU A 15 19.706 33.358 19.258 1.00 0.00 O ATOM 241 CB LEU A 15 23.015 32.955 18.916 1.00 0.00 C ATOM 242 CG LEU A 15 24.417 33.296 18.411 1.00 0.00 C ATOM 243 CD1 LEU A 15 25.484 32.649 19.282 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.545 33.049 16.903 1.00 0.00 C ATOM 0 H LEU A 15 21.260 34.373 20.638 1.00 0.00 H new ATOM 0 HA LEU A 15 22.288 34.647 17.826 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.069 32.740 19.983 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.677 32.043 18.424 1.00 0.00 H new ATOM 0 HG LEU A 15 24.592 34.367 18.518 1.00 0.00 H new ATOM 0 HD11 LEU A 15 26.472 32.908 18.900 1.00 0.00 H new ATOM 0 HD12 LEU A 15 25.385 33.009 20.306 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.361 31.566 19.264 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.554 33.302 16.577 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.347 31.999 16.688 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.825 33.671 16.370 1.00 0.00 H new ATOM 256 N GLU A 16 20.376 33.174 17.131 1.00 0.00 N ATOM 257 CA GLU A 16 19.155 32.667 16.535 1.00 0.00 C ATOM 258 C GLU A 16 19.451 31.347 15.827 1.00 0.00 C ATOM 259 O GLU A 16 20.452 31.289 15.121 1.00 0.00 O ATOM 260 CB GLU A 16 18.667 33.794 15.620 1.00 0.00 C ATOM 261 CG GLU A 16 17.204 34.214 15.782 1.00 0.00 C ATOM 262 CD GLU A 16 16.175 33.179 15.358 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.442 32.370 14.450 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.031 33.181 15.867 1.00 0.00 O ATOM 0 H GLU A 16 21.129 33.248 16.447 1.00 0.00 H new ATOM 0 HA GLU A 16 18.368 32.424 17.249 1.00 0.00 H new ATOM 0 HB2 GLU A 16 19.295 34.669 15.790 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.822 33.486 14.586 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.030 34.466 16.828 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.039 35.123 15.204 1.00 0.00 H new ATOM 271 N VAL A 17 18.606 30.360 16.113 1.00 0.00 N ATOM 272 CA VAL A 17 18.670 29.039 15.534 1.00 0.00 C ATOM 273 C VAL A 17 17.277 28.547 15.158 1.00 0.00 C ATOM 274 O VAL A 17 16.282 29.114 15.616 1.00 0.00 O ATOM 275 CB VAL A 17 19.495 28.133 16.449 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.980 28.498 16.558 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.866 27.822 17.801 1.00 0.00 C ATOM 0 H VAL A 17 17.838 30.470 16.775 1.00 0.00 H new ATOM 0 HA VAL A 17 19.200 29.039 14.581 1.00 0.00 H new ATOM 0 HB VAL A 17 19.471 27.188 15.906 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.478 27.798 17.229 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.441 28.446 15.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 21.078 29.510 16.952 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.531 27.173 18.371 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.706 28.750 18.350 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.910 27.320 17.651 1.00 0.00 H new ATOM 287 N GLU A 18 17.169 27.436 14.425 1.00 0.00 N ATOM 288 CA GLU A 18 15.949 26.697 14.176 1.00 0.00 C ATOM 289 C GLU A 18 16.176 25.387 14.931 1.00 0.00 C ATOM 290 O GLU A 18 17.258 24.811 14.929 1.00 0.00 O ATOM 291 CB GLU A 18 15.962 26.377 12.685 1.00 0.00 C ATOM 292 CG GLU A 18 14.699 26.735 11.907 1.00 0.00 C ATOM 293 CD GLU A 18 13.394 26.245 12.508 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.242 25.007 12.514 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.568 27.012 13.038 1.00 0.00 O ATOM 0 H GLU A 18 17.978 27.013 13.970 1.00 0.00 H new ATOM 0 HA GLU A 18 15.030 27.208 14.463 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.804 26.899 12.230 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.147 25.309 12.566 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.649 27.820 11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.788 26.330 10.899 1.00 0.00 H new ATOM 302 N PRO A 19 15.124 24.781 15.487 1.00 0.00 N ATOM 303 CA PRO A 19 14.963 23.396 15.874 1.00 0.00 C ATOM 304 C PRO A 19 15.380 22.368 14.820 1.00 0.00 C ATOM 305 O PRO A 19 15.910 21.341 15.216 1.00 0.00 O ATOM 306 CB PRO A 19 13.503 23.166 16.270 1.00 0.00 C ATOM 307 CG PRO A 19 13.051 24.552 16.730 1.00 0.00 C ATOM 308 CD PRO A 19 14.014 25.526 16.045 1.00 0.00 C ATOM 0 HA PRO A 19 15.645 23.234 16.708 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.909 22.805 15.430 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.412 22.427 17.066 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.019 24.747 16.440 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.101 24.644 17.815 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.497 26.076 15.259 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.378 26.262 16.762 1.00 0.00 H new ATOM 316 N SER A 20 15.178 22.722 13.546 1.00 0.00 N ATOM 317 CA SER A 20 15.627 21.917 12.432 1.00 0.00 C ATOM 318 C SER A 20 17.117 21.886 12.075 1.00 0.00 C ATOM 319 O SER A 20 17.636 21.097 11.277 1.00 0.00 O ATOM 320 CB SER A 20 14.872 22.401 11.197 1.00 0.00 C ATOM 321 OG SER A 20 15.185 23.751 10.890 1.00 0.00 O ATOM 0 H SER A 20 14.697 23.578 13.270 1.00 0.00 H new ATOM 0 HA SER A 20 15.427 20.896 12.757 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.120 21.767 10.346 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.799 22.304 11.364 1.00 0.00 H new ATOM 0 HG SER A 20 14.499 24.340 11.267 1.00 0.00 H new ATOM 327 N ASP A 21 17.887 22.728 12.746 1.00 0.00 N ATOM 328 CA ASP A 21 19.319 22.937 12.649 1.00 0.00 C ATOM 329 C ASP A 21 19.929 21.701 13.312 1.00 0.00 C ATOM 330 O ASP A 21 19.720 21.321 14.460 1.00 0.00 O ATOM 331 CB ASP A 21 19.911 24.144 13.385 1.00 0.00 C ATOM 332 CG ASP A 21 19.705 25.507 12.733 1.00 0.00 C ATOM 333 OD1 ASP A 21 19.492 25.561 11.498 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.714 26.545 13.423 1.00 0.00 O ATOM 0 H ASP A 21 17.478 23.347 13.446 1.00 0.00 H new ATOM 0 HA ASP A 21 19.536 23.114 11.596 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.482 24.177 14.387 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.982 23.980 13.502 1.00 0.00 H new ATOM 339 N THR A 22 20.871 21.144 12.555 1.00 0.00 N ATOM 340 CA THR A 22 21.859 20.193 13.020 1.00 0.00 C ATOM 341 C THR A 22 22.997 20.852 13.797 1.00 0.00 C ATOM 342 O THR A 22 23.223 22.056 13.630 1.00 0.00 O ATOM 343 CB THR A 22 22.371 19.460 11.782 1.00 0.00 C ATOM 344 OG1 THR A 22 23.164 20.278 10.952 1.00 0.00 O ATOM 345 CG2 THR A 22 21.369 18.683 10.926 1.00 0.00 C ATOM 0 H THR A 22 20.965 21.356 11.562 1.00 0.00 H new ATOM 0 HA THR A 22 21.406 19.501 13.729 1.00 0.00 H new ATOM 0 HB THR A 22 22.972 18.684 12.256 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.467 19.761 10.177 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.889 18.221 10.087 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.897 17.909 11.531 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.607 19.365 10.549 1.00 0.00 H new ATOM 353 N ILE A 23 23.650 20.078 14.657 1.00 0.00 N ATOM 354 CA ILE A 23 24.727 20.543 15.497 1.00 0.00 C ATOM 355 C ILE A 23 25.829 21.320 14.772 1.00 0.00 C ATOM 356 O ILE A 23 26.145 22.428 15.219 1.00 0.00 O ATOM 357 CB ILE A 23 25.148 19.464 16.494 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.064 18.861 17.384 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.471 19.714 17.220 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.186 19.814 18.195 1.00 0.00 C ATOM 0 H ILE A 23 23.434 19.089 14.786 1.00 0.00 H new ATOM 0 HA ILE A 23 24.342 21.349 16.121 1.00 0.00 H new ATOM 0 HB ILE A 23 25.355 18.650 15.799 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.409 18.261 16.752 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.548 18.178 18.082 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.673 18.888 17.902 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.278 19.788 16.491 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.406 20.644 17.785 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.465 19.239 18.776 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.811 20.400 18.869 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.655 20.484 17.519 1.00 0.00 H new ATOM 372 N GLU A 24 26.176 20.898 13.561 1.00 0.00 N ATOM 373 CA GLU A 24 27.150 21.474 12.656 1.00 0.00 C ATOM 374 C GLU A 24 26.682 22.779 11.998 1.00 0.00 C ATOM 375 O GLU A 24 27.549 23.605 11.758 1.00 0.00 O ATOM 376 CB GLU A 24 27.601 20.585 11.497 1.00 0.00 C ATOM 377 CG GLU A 24 29.022 20.787 10.970 1.00 0.00 C ATOM 378 CD GLU A 24 30.159 20.615 11.971 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.939 20.117 13.097 1.00 0.00 O ATOM 380 OE2 GLU A 24 31.331 20.923 11.661 1.00 0.00 O ATOM 0 H GLU A 24 25.740 20.069 13.157 1.00 0.00 H new ATOM 0 HA GLU A 24 27.982 21.631 13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.502 19.546 11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.909 20.735 10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 24 29.183 20.087 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.089 21.791 10.550 1.00 0.00 H new ATOM 387 N ASN A 25 25.381 22.969 11.779 1.00 0.00 N ATOM 388 CA ASN A 25 24.772 24.202 11.310 1.00 0.00 C ATOM 389 C ASN A 25 24.726 25.188 12.474 1.00 0.00 C ATOM 390 O ASN A 25 24.925 26.368 12.157 1.00 0.00 O ATOM 391 CB ASN A 25 23.309 24.000 10.905 1.00 0.00 C ATOM 392 CG ASN A 25 22.927 24.929 9.773 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.558 24.843 8.720 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.001 25.882 9.825 1.00 0.00 N ATOM 0 H ASN A 25 24.696 22.229 11.933 1.00 0.00 H new ATOM 0 HA ASN A 25 25.359 24.549 10.459 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.152 22.965 10.600 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.662 24.181 11.763 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.849 26.489 9.020 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.443 26.006 10.670 1.00 0.00 H new ATOM 401 N VAL A 26 24.526 24.761 13.717 1.00 0.00 N ATOM 402 CA VAL A 26 24.580 25.649 14.854 1.00 0.00 C ATOM 403 C VAL A 26 25.991 26.192 15.058 1.00 0.00 C ATOM 404 O VAL A 26 26.213 27.369 15.344 1.00 0.00 O ATOM 405 CB VAL A 26 23.936 24.969 16.059 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.325 25.575 17.406 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.419 24.880 15.934 1.00 0.00 C ATOM 0 H VAL A 26 24.323 23.790 13.955 1.00 0.00 H new ATOM 0 HA VAL A 26 23.987 26.547 14.681 1.00 0.00 H new ATOM 0 HB VAL A 26 24.346 23.959 16.046 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.823 25.033 18.207 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.404 25.503 17.539 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.025 26.623 17.434 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.009 24.388 16.816 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.001 25.883 15.851 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.160 24.305 15.045 1.00 0.00 H new ATOM 417 N LYS A 27 27.027 25.362 14.936 1.00 0.00 N ATOM 418 CA LYS A 27 28.438 25.682 15.080 1.00 0.00 C ATOM 419 C LYS A 27 28.906 26.675 14.014 1.00 0.00 C ATOM 420 O LYS A 27 29.722 27.530 14.314 1.00 0.00 O ATOM 421 CB LYS A 27 29.340 24.449 15.008 1.00 0.00 C ATOM 422 CG LYS A 27 29.083 23.534 16.201 1.00 0.00 C ATOM 423 CD LYS A 27 29.412 22.061 15.959 1.00 0.00 C ATOM 424 CE LYS A 27 30.912 21.819 15.761 1.00 0.00 C ATOM 425 NZ LYS A 27 31.220 20.449 15.341 1.00 0.00 N ATOM 0 H LYS A 27 26.886 24.376 14.718 1.00 0.00 H new ATOM 0 HA LYS A 27 28.526 26.126 16.072 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.155 23.908 14.080 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.386 24.756 14.995 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.671 23.889 17.047 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.034 23.616 16.485 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.061 21.470 16.805 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.872 21.711 15.079 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.292 22.516 15.014 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.435 22.034 16.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.246 20.289 15.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.727 19.776 15.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.906 20.308 14.360 1.00 0.00 H new ATOM 439 N ALA A 28 28.275 26.721 12.837 1.00 0.00 N ATOM 440 CA ALA A 28 28.641 27.625 11.765 1.00 0.00 C ATOM 441 C ALA A 28 28.080 29.031 11.993 1.00 0.00 C ATOM 442 O ALA A 28 28.686 29.951 11.457 1.00 0.00 O ATOM 443 CB ALA A 28 27.869 27.099 10.558 1.00 0.00 C ATOM 0 H ALA A 28 27.485 26.118 12.608 1.00 0.00 H new ATOM 0 HA ALA A 28 29.726 27.673 11.671 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.082 27.723 9.690 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.173 26.073 10.351 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.800 27.125 10.770 1.00 0.00 H new ATOM 449 N LYS A 29 27.032 29.154 12.797 1.00 0.00 N ATOM 450 CA LYS A 29 26.514 30.451 13.183 1.00 0.00 C ATOM 451 C LYS A 29 27.444 30.929 14.307 1.00 0.00 C ATOM 452 O LYS A 29 27.481 32.154 14.440 1.00 0.00 O ATOM 453 CB LYS A 29 25.071 30.419 13.666 1.00 0.00 C ATOM 454 CG LYS A 29 24.196 29.968 12.502 1.00 0.00 C ATOM 455 CD LYS A 29 22.775 29.767 13.020 1.00 0.00 C ATOM 456 CE LYS A 29 21.783 29.333 11.939 1.00 0.00 C ATOM 457 NZ LYS A 29 20.432 28.957 12.412 1.00 0.00 N ATOM 0 H LYS A 29 26.524 28.363 13.194 1.00 0.00 H new ATOM 0 HA LYS A 29 26.497 31.117 12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.966 29.736 14.509 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.764 31.405 14.015 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.208 30.713 11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.579 29.041 12.076 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.789 29.017 13.811 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.426 30.697 13.469 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.681 30.146 11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.208 28.484 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.824 28.746 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.499 28.116 13.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.022 29.744 12.954 1.00 0.00 H new ATOM 471 N ILE A 30 28.148 30.058 15.022 1.00 0.00 N ATOM 472 CA ILE A 30 29.224 30.522 15.872 1.00 0.00 C ATOM 473 C ILE A 30 30.518 30.949 15.166 1.00 0.00 C ATOM 474 O ILE A 30 31.146 31.919 15.570 1.00 0.00 O ATOM 475 CB ILE A 30 29.447 29.469 16.956 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.180 29.493 17.813 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.750 29.564 17.755 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.075 28.362 18.841 1.00 0.00 C ATOM 0 H ILE A 30 27.994 29.050 15.028 1.00 0.00 H new ATOM 0 HA ILE A 30 28.906 31.469 16.309 1.00 0.00 H new ATOM 0 HB ILE A 30 29.603 28.499 16.485 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.132 30.447 18.338 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.313 29.448 17.155 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.785 28.760 18.491 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.599 29.473 17.078 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.794 30.526 18.266 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.145 28.463 19.400 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.087 27.401 18.327 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.919 28.416 19.529 1.00 0.00 H new ATOM 490 N GLN A 31 30.903 30.247 14.105 1.00 0.00 N ATOM 491 CA GLN A 31 32.115 30.526 13.376 1.00 0.00 C ATOM 492 C GLN A 31 32.163 31.893 12.689 1.00 0.00 C ATOM 493 O GLN A 31 33.237 32.429 12.419 1.00 0.00 O ATOM 494 CB GLN A 31 32.008 29.517 12.233 1.00 0.00 C ATOM 495 CG GLN A 31 33.335 29.435 11.474 1.00 0.00 C ATOM 496 CD GLN A 31 33.048 28.573 10.257 1.00 0.00 C ATOM 497 OE1 GLN A 31 31.899 28.212 9.988 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.013 28.375 9.360 1.00 0.00 N ATOM 0 H GLN A 31 30.370 29.462 13.731 1.00 0.00 H new ATOM 0 HA GLN A 31 32.972 30.488 14.049 1.00 0.00 H new ATOM 0 HB2 GLN A 31 31.745 28.536 12.628 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.209 29.811 11.552 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.682 30.426 11.181 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.116 28.994 12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 31 34.968 28.667 9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.796 27.931 8.467 1.00 0.00 H new ATOM 507 N ASP A 32 30.966 32.297 12.283 1.00 0.00 N ATOM 508 CA ASP A 32 30.683 33.521 11.558 1.00 0.00 C ATOM 509 C ASP A 32 30.851 34.759 12.431 1.00 0.00 C ATOM 510 O ASP A 32 31.401 35.767 11.977 1.00 0.00 O ATOM 511 CB ASP A 32 29.259 33.469 10.990 1.00 0.00 C ATOM 512 CG ASP A 32 28.686 34.780 10.476 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.452 35.510 9.801 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.574 35.188 10.864 1.00 0.00 O ATOM 0 H ASP A 32 30.125 31.748 12.462 1.00 0.00 H new ATOM 0 HA ASP A 32 31.405 33.597 10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.243 32.746 10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.596 33.088 11.766 1.00 0.00 H new ATOM 519 N LYS A 33 30.553 34.579 13.716 1.00 0.00 N ATOM 520 CA LYS A 33 30.440 35.675 14.659 1.00 0.00 C ATOM 521 C LYS A 33 31.765 35.755 15.427 1.00 0.00 C ATOM 522 O LYS A 33 32.394 36.816 15.428 1.00 0.00 O ATOM 523 CB LYS A 33 29.322 35.379 15.659 1.00 0.00 C ATOM 524 CG LYS A 33 27.972 35.330 14.945 1.00 0.00 C ATOM 525 CD LYS A 33 27.669 36.582 14.122 1.00 0.00 C ATOM 526 CE LYS A 33 26.166 36.829 13.933 1.00 0.00 C ATOM 527 NZ LYS A 33 26.102 37.957 12.990 1.00 0.00 N ATOM 0 H LYS A 33 30.383 33.662 14.128 1.00 0.00 H new ATOM 0 HA LYS A 33 30.221 36.606 14.135 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.512 34.428 16.157 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.304 36.146 16.433 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.949 34.460 14.289 1.00 0.00 H new ATOM 0 HG3 LYS A 33 27.184 35.192 15.685 1.00 0.00 H new ATOM 0 HD2 LYS A 33 28.115 37.448 14.611 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.142 36.490 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.664 35.947 13.534 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.680 37.072 14.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.108 38.196 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.584 38.781 13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.569 37.692 12.099 1.00 0.00 H new ATOM 541 N GLU A 34 32.280 34.662 15.972 1.00 0.00 N ATOM 542 CA GLU A 34 33.334 34.768 16.952 1.00 0.00 C ATOM 543 C GLU A 34 34.645 34.357 16.277 1.00 0.00 C ATOM 544 O GLU A 34 35.726 34.738 16.726 1.00 0.00 O ATOM 545 CB GLU A 34 33.043 33.765 18.065 1.00 0.00 C ATOM 546 CG GLU A 34 32.188 34.381 19.178 1.00 0.00 C ATOM 547 CD GLU A 34 32.780 35.624 19.828 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.880 35.617 20.405 1.00 0.00 O ATOM 549 OE2 GLU A 34 32.138 36.696 19.878 1.00 0.00 O ATOM 0 H GLU A 34 31.987 33.710 15.753 1.00 0.00 H new ATOM 0 HA GLU A 34 33.400 35.781 17.348 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.528 32.899 17.648 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.982 33.406 18.485 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.211 34.634 18.767 1.00 0.00 H new ATOM 0 HG3 GLU A 34 32.025 33.628 19.949 1.00 0.00 H new ATOM 556 N GLY A 35 34.585 33.671 15.144 1.00 0.00 N ATOM 557 CA GLY A 35 35.734 33.372 14.299 1.00 0.00 C ATOM 558 C GLY A 35 36.313 31.972 14.502 1.00 0.00 C ATOM 559 O GLY A 35 37.440 31.699 14.098 1.00 0.00 O ATOM 0 H GLY A 35 33.711 33.296 14.776 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.442 33.484 13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.515 34.108 14.493 1.00 0.00 H new ATOM 563 N ILE A 36 35.692 31.134 15.326 1.00 0.00 N ATOM 564 CA ILE A 36 36.263 29.868 15.755 1.00 0.00 C ATOM 565 C ILE A 36 35.843 28.735 14.815 1.00 0.00 C ATOM 566 O ILE A 36 34.633 28.511 14.696 1.00 0.00 O ATOM 567 CB ILE A 36 35.721 29.473 17.122 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.587 30.645 18.096 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.532 28.310 17.705 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.874 31.463 18.294 1.00 0.00 C ATOM 0 H ILE A 36 34.768 31.319 15.717 1.00 0.00 H new ATOM 0 HA ILE A 36 37.344 30.004 15.767 1.00 0.00 H new ATOM 0 HB ILE A 36 34.698 29.130 16.969 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.801 31.310 17.738 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.264 30.261 19.064 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.131 28.041 18.682 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.468 27.451 17.037 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.574 28.610 17.811 1.00 0.00 H new ATOM 0 HD11 ILE A 36 36.686 32.272 19.000 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.660 30.816 18.684 1.00 0.00 H new ATOM 0 HD13 ILE A 36 37.190 31.881 17.338 1.00 0.00 H new ATOM 582 N PRO A 37 36.678 27.926 14.177 1.00 0.00 N ATOM 583 CA PRO A 37 36.374 26.899 13.205 1.00 0.00 C ATOM 584 C PRO A 37 35.594 25.804 13.937 1.00 0.00 C ATOM 585 O PRO A 37 35.982 25.379 15.024 1.00 0.00 O ATOM 586 CB PRO A 37 37.657 26.350 12.565 1.00 0.00 C ATOM 587 CG PRO A 37 38.721 26.841 13.550 1.00 0.00 C ATOM 588 CD PRO A 37 38.110 27.919 14.440 1.00 0.00 C ATOM 0 HA PRO A 37 35.776 27.303 12.388 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.643 25.263 12.484 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.815 26.742 11.560 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.084 26.012 14.157 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.579 27.240 13.010 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.308 27.709 15.491 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.547 28.893 14.221 1.00 0.00 H new ATOM 596 N PRO A 38 34.582 25.187 13.322 1.00 0.00 N ATOM 597 CA PRO A 38 33.645 24.221 13.847 1.00 0.00 C ATOM 598 C PRO A 38 34.403 22.944 14.212 1.00 0.00 C ATOM 599 O PRO A 38 34.049 22.380 15.252 1.00 0.00 O ATOM 600 CB PRO A 38 32.568 23.869 12.823 1.00 0.00 C ATOM 601 CG PRO A 38 32.677 24.948 11.746 1.00 0.00 C ATOM 602 CD PRO A 38 33.934 25.731 12.148 1.00 0.00 C ATOM 0 HA PRO A 38 33.162 24.657 14.721 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.731 22.876 12.404 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.578 23.864 13.278 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.776 24.513 10.751 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.795 25.588 11.728 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.639 25.730 11.316 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.664 26.770 12.336 1.00 0.00 H new ATOM 610 N ASP A 39 35.430 22.558 13.463 1.00 0.00 N ATOM 611 CA ASP A 39 36.404 21.551 13.845 1.00 0.00 C ATOM 612 C ASP A 39 36.880 21.601 15.287 1.00 0.00 C ATOM 613 O ASP A 39 36.967 20.541 15.898 1.00 0.00 O ATOM 614 CB ASP A 39 37.534 21.485 12.824 1.00 0.00 C ATOM 615 CG ASP A 39 38.436 20.288 13.074 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.129 19.196 12.539 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.426 20.488 13.809 1.00 0.00 O ATOM 0 H ASP A 39 35.611 22.954 12.541 1.00 0.00 H new ATOM 0 HA ASP A 39 35.870 20.601 13.822 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.116 21.424 11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.122 22.402 12.870 1.00 0.00 H new ATOM 622 N GLN A 40 37.227 22.807 15.754 1.00 0.00 N ATOM 623 CA GLN A 40 37.731 23.091 17.077 1.00 0.00 C ATOM 624 C GLN A 40 36.645 23.157 18.153 1.00 0.00 C ATOM 625 O GLN A 40 36.858 22.783 19.303 1.00 0.00 O ATOM 626 CB GLN A 40 38.503 24.408 17.116 1.00 0.00 C ATOM 627 CG GLN A 40 39.135 24.746 18.471 1.00 0.00 C ATOM 628 CD GLN A 40 40.239 25.789 18.435 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.210 26.883 17.866 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.353 25.520 19.121 1.00 0.00 N ATOM 0 H GLN A 40 37.155 23.646 15.178 1.00 0.00 H new ATOM 0 HA GLN A 40 38.387 22.250 17.300 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.290 24.373 16.363 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.828 25.216 16.835 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.350 25.096 19.141 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.538 23.830 18.903 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.445 24.633 19.616 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.111 26.201 19.150 1.00 0.00 H new ATOM 639 N GLN A 41 35.479 23.651 17.755 1.00 0.00 N ATOM 640 CA GLN A 41 34.362 23.797 18.658 1.00 0.00 C ATOM 641 C GLN A 41 33.660 22.537 19.166 1.00 0.00 C ATOM 642 O GLN A 41 33.507 21.649 18.325 1.00 0.00 O ATOM 643 CB GLN A 41 33.215 24.595 18.029 1.00 0.00 C ATOM 644 CG GLN A 41 33.350 25.983 17.395 1.00 0.00 C ATOM 645 CD GLN A 41 32.117 26.430 16.626 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.012 25.989 16.939 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.210 27.168 15.529 1.00 0.00 N ATOM 0 H GLN A 41 35.289 23.958 16.801 1.00 0.00 H new ATOM 0 HA GLN A 41 34.876 24.276 19.491 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.794 23.953 17.255 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.458 24.695 18.807 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.562 26.711 18.178 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.207 25.982 16.721 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.113 27.547 15.245 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.378 27.357 14.969 1.00 0.00 H new ATOM 656 N ARG A 42 33.170 22.500 20.396 1.00 0.00 N ATOM 657 CA ARG A 42 32.245 21.499 20.886 1.00 0.00 C ATOM 658 C ARG A 42 30.941 22.170 21.351 1.00 0.00 C ATOM 659 O ARG A 42 31.064 23.248 21.916 1.00 0.00 O ATOM 660 CB ARG A 42 32.850 20.669 22.016 1.00 0.00 C ATOM 661 CG ARG A 42 34.077 19.824 21.686 1.00 0.00 C ATOM 662 CD ARG A 42 34.079 18.405 22.257 1.00 0.00 C ATOM 663 NE ARG A 42 34.243 17.386 21.221 1.00 0.00 N ATOM 664 CZ ARG A 42 35.064 16.336 21.091 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.873 16.040 22.120 1.00 0.00 N ATOM 666 NH2 ARG A 42 35.144 15.743 19.885 1.00 0.00 N ATOM 0 H ARG A 42 33.417 23.193 21.103 1.00 0.00 H new ATOM 0 HA ARG A 42 32.026 20.817 20.064 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.116 21.347 22.827 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.075 20.004 22.398 1.00 0.00 H new ATOM 0 HG2 ARG A 42 34.170 19.760 20.602 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.962 20.344 22.052 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.884 18.311 22.986 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.145 18.230 22.790 1.00 0.00 H new ATOM 0 HE ARG A 42 33.600 17.498 20.437 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.850 16.608 22.967 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.511 15.247 22.055 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.589 16.096 19.105 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.760 14.941 19.751 1.00 0.00 H new ATOM 680 N LEU A 43 29.743 21.585 21.325 1.00 0.00 N ATOM 681 CA LEU A 43 28.495 22.197 21.714 1.00 0.00 C ATOM 682 C LEU A 43 28.020 21.346 22.896 1.00 0.00 C ATOM 683 O LEU A 43 27.965 20.125 22.741 1.00 0.00 O ATOM 684 CB LEU A 43 27.491 22.242 20.561 1.00 0.00 C ATOM 685 CG LEU A 43 26.313 23.181 20.820 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.751 24.626 20.603 1.00 0.00 C ATOM 687 CD2 LEU A 43 25.252 22.876 19.755 1.00 0.00 C ATOM 0 H LEU A 43 29.623 20.621 21.014 1.00 0.00 H new ATOM 0 HA LEU A 43 28.607 23.245 21.992 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.005 22.558 19.653 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.112 21.236 20.379 1.00 0.00 H new ATOM 0 HG LEU A 43 25.943 23.045 21.836 1.00 0.00 H new ATOM 0 HD11 LEU A 43 25.909 25.293 20.788 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.563 24.867 21.289 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.094 24.752 19.576 1.00 0.00 H new ATOM 0 HD21 LEU A 43 24.390 23.527 19.903 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.671 23.049 18.764 1.00 0.00 H new ATOM 0 HD23 LEU A 43 24.940 21.835 19.840 1.00 0.00 H new ATOM 699 N ILE A 44 27.772 21.937 24.065 1.00 0.00 N ATOM 700 CA ILE A 44 27.545 21.292 25.338 1.00 0.00 C ATOM 701 C ILE A 44 26.191 21.877 25.773 1.00 0.00 C ATOM 702 O ILE A 44 25.983 23.080 25.634 1.00 0.00 O ATOM 703 CB ILE A 44 28.630 21.583 26.363 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.064 21.470 25.833 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.341 20.722 27.593 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.440 20.072 25.334 1.00 0.00 C ATOM 0 H ILE A 44 27.723 22.953 24.142 1.00 0.00 H new ATOM 0 HA ILE A 44 27.556 20.205 25.257 1.00 0.00 H new ATOM 0 HB ILE A 44 28.588 22.637 26.637 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.195 22.182 25.018 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.756 21.760 26.624 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.102 20.905 28.352 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.360 20.977 27.994 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.355 19.669 27.312 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.470 20.078 24.976 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.344 19.356 26.150 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.775 19.785 24.520 1.00 0.00 H new ATOM 718 N PHE A 45 25.281 20.988 26.141 1.00 0.00 N ATOM 719 CA PHE A 45 24.006 21.341 26.738 1.00 0.00 C ATOM 720 C PHE A 45 23.408 20.297 27.691 1.00 0.00 C ATOM 721 O PHE A 45 23.039 19.242 27.177 1.00 0.00 O ATOM 722 CB PHE A 45 23.065 21.915 25.693 1.00 0.00 C ATOM 723 CG PHE A 45 21.717 22.433 26.158 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.486 23.543 26.969 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.651 21.546 25.940 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.211 23.834 27.453 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.365 21.796 26.426 1.00 0.00 C ATOM 728 CZ PHE A 45 19.151 22.967 27.178 1.00 0.00 C ATOM 0 H PHE A 45 25.412 19.983 26.030 1.00 0.00 H new ATOM 0 HA PHE A 45 24.199 22.148 27.445 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.582 22.733 25.191 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.886 21.143 24.944 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.311 24.190 27.228 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.831 20.641 25.378 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.044 24.726 28.038 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.556 21.108 26.230 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.161 23.196 27.544 1.00 0.00 H new ATOM 738 N ALA A 46 23.360 20.539 28.993 1.00 0.00 N ATOM 739 CA ALA A 46 22.674 19.714 29.975 1.00 0.00 C ATOM 740 C ALA A 46 23.565 18.630 30.570 1.00 0.00 C ATOM 741 O ALA A 46 23.188 17.495 30.867 1.00 0.00 O ATOM 742 CB ALA A 46 21.209 19.339 29.744 1.00 0.00 C ATOM 0 H ALA A 46 23.817 21.349 29.411 1.00 0.00 H new ATOM 0 HA ALA A 46 22.493 20.430 30.777 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.856 18.723 30.571 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.607 20.245 29.684 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.119 18.781 28.812 1.00 0.00 H new ATOM 748 N GLY A 47 24.818 18.959 30.894 1.00 0.00 N ATOM 749 CA GLY A 47 25.827 18.099 31.478 1.00 0.00 C ATOM 750 C GLY A 47 26.676 17.216 30.564 1.00 0.00 C ATOM 751 O GLY A 47 27.510 16.423 31.000 1.00 0.00 O ATOM 0 H GLY A 47 25.170 19.904 30.740 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.508 18.732 32.047 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.327 17.446 32.193 1.00 0.00 H new ATOM 755 N LYS A 48 26.329 17.388 29.295 1.00 0.00 N ATOM 756 CA LYS A 48 26.686 16.523 28.182 1.00 0.00 C ATOM 757 C LYS A 48 26.978 17.291 26.895 1.00 0.00 C ATOM 758 O LYS A 48 26.490 18.382 26.597 1.00 0.00 O ATOM 759 CB LYS A 48 25.622 15.447 27.992 1.00 0.00 C ATOM 760 CG LYS A 48 24.167 15.876 27.870 1.00 0.00 C ATOM 761 CD LYS A 48 23.075 14.806 27.883 1.00 0.00 C ATOM 762 CE LYS A 48 21.673 15.374 27.658 1.00 0.00 C ATOM 763 NZ LYS A 48 20.697 14.274 27.606 1.00 0.00 N ATOM 0 H LYS A 48 25.758 18.180 29.000 1.00 0.00 H new ATOM 0 HA LYS A 48 27.626 16.033 28.435 1.00 0.00 H new ATOM 0 HB2 LYS A 48 25.877 14.883 27.095 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.695 14.757 28.833 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.959 16.569 28.685 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.066 16.438 26.941 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.289 14.068 27.110 1.00 0.00 H new ATOM 0 HD3 LYS A 48 23.099 14.283 28.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.416 16.064 28.462 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.645 15.943 26.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.744 14.662 27.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.939 13.632 26.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.717 13.749 28.504 1.00 0.00 H new ATOM 777 N GLN A 49 27.856 16.727 26.070 1.00 0.00 N ATOM 778 CA GLN A 49 28.117 17.183 24.716 1.00 0.00 C ATOM 779 C GLN A 49 26.971 16.806 23.783 1.00 0.00 C ATOM 780 O GLN A 49 26.594 15.638 23.860 1.00 0.00 O ATOM 781 CB GLN A 49 29.504 16.598 24.458 1.00 0.00 C ATOM 782 CG GLN A 49 30.104 17.134 23.152 1.00 0.00 C ATOM 783 CD GLN A 49 30.214 16.191 21.970 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.045 16.397 21.099 1.00 0.00 O ATOM 785 NE2 GLN A 49 29.422 15.117 21.879 1.00 0.00 N ATOM 0 H GLN A 49 28.418 15.919 26.336 1.00 0.00 H new ATOM 0 HA GLN A 49 28.143 18.259 24.543 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.164 16.842 25.290 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.439 15.511 24.411 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.507 17.991 22.839 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.104 17.506 23.374 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.724 14.935 22.601 1.00 0.00 H new ATOM 0 HE22 GLN A 49 29.516 14.480 21.088 1.00 0.00 H new ATOM 794 N LEU A 50 26.381 17.731 23.037 1.00 0.00 N ATOM 795 CA LEU A 50 25.468 17.546 21.925 1.00 0.00 C ATOM 796 C LEU A 50 26.366 17.166 20.736 1.00 0.00 C ATOM 797 O LEU A 50 27.288 17.843 20.302 1.00 0.00 O ATOM 798 CB LEU A 50 24.772 18.886 21.659 1.00 0.00 C ATOM 799 CG LEU A 50 23.932 19.424 22.811 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.117 20.598 22.279 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.051 18.444 23.584 1.00 0.00 C ATOM 0 H LEU A 50 26.548 18.721 23.215 1.00 0.00 H new ATOM 0 HA LEU A 50 24.705 16.788 22.106 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.531 19.627 21.407 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.131 18.776 20.784 1.00 0.00 H new ATOM 0 HG LEU A 50 24.650 19.712 23.579 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.503 21.007 23.081 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.791 21.370 21.908 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.474 20.257 21.468 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.517 18.977 24.370 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.333 17.986 22.904 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.674 17.669 24.030 1.00 0.00 H new ATOM 813 N GLU A 51 25.950 16.029 20.172 1.00 0.00 N ATOM 814 CA GLU A 51 26.671 15.286 19.157 1.00 0.00 C ATOM 815 C GLU A 51 26.065 15.501 17.768 1.00 0.00 C ATOM 816 O GLU A 51 24.854 15.700 17.671 1.00 0.00 O ATOM 817 CB GLU A 51 26.460 13.801 19.420 1.00 0.00 C ATOM 818 CG GLU A 51 27.553 12.926 18.797 1.00 0.00 C ATOM 819 CD GLU A 51 28.997 13.294 19.126 1.00 0.00 C ATOM 820 OE1 GLU A 51 29.551 13.002 20.202 1.00 0.00 O ATOM 821 OE2 GLU A 51 29.555 13.871 18.170 1.00 0.00 O ATOM 0 H GLU A 51 25.065 15.590 20.426 1.00 0.00 H new ATOM 0 HA GLU A 51 27.711 15.611 19.192 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.432 13.628 20.496 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.490 13.501 19.023 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.384 11.896 19.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.434 12.952 17.714 1.00 0.00 H new ATOM 828 N ASP A 52 26.845 15.293 16.708 1.00 0.00 N ATOM 829 CA ASP A 52 26.499 15.466 15.317 1.00 0.00 C ATOM 830 C ASP A 52 25.427 14.503 14.830 1.00 0.00 C ATOM 831 O ASP A 52 25.239 13.407 15.366 1.00 0.00 O ATOM 832 CB ASP A 52 27.771 15.114 14.536 1.00 0.00 C ATOM 833 CG ASP A 52 27.658 15.384 13.042 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.928 16.553 12.730 1.00 0.00 O ATOM 835 OD2 ASP A 52 27.426 14.422 12.282 1.00 0.00 O ATOM 0 H ASP A 52 27.808 14.975 16.819 1.00 0.00 H new ATOM 0 HA ASP A 52 26.123 16.480 15.179 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.606 15.687 14.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.003 14.060 14.691 1.00 0.00 H new ATOM 840 N GLY A 53 24.788 14.834 13.712 1.00 0.00 N ATOM 841 CA GLY A 53 23.830 14.084 12.926 1.00 0.00 C ATOM 842 C GLY A 53 22.389 14.528 13.186 1.00 0.00 C ATOM 843 O GLY A 53 21.515 14.461 12.323 1.00 0.00 O ATOM 0 H GLY A 53 24.955 15.747 13.290 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.059 14.204 11.867 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.927 13.023 13.155 1.00 0.00 H new ATOM 847 N ARG A 54 22.110 14.935 14.421 1.00 0.00 N ATOM 848 CA ARG A 54 20.897 15.157 15.185 1.00 0.00 C ATOM 849 C ARG A 54 20.618 16.662 15.122 1.00 0.00 C ATOM 850 O ARG A 54 21.533 17.467 15.005 1.00 0.00 O ATOM 851 CB ARG A 54 21.172 14.918 16.670 1.00 0.00 C ATOM 852 CG ARG A 54 21.485 13.443 16.906 1.00 0.00 C ATOM 853 CD ARG A 54 21.750 13.165 18.383 1.00 0.00 C ATOM 854 NE ARG A 54 21.888 11.742 18.681 1.00 0.00 N ATOM 855 CZ ARG A 54 22.586 11.115 19.632 1.00 0.00 C ATOM 856 NH1 ARG A 54 23.425 11.830 20.389 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.540 9.794 19.878 1.00 0.00 N ATOM 0 H ARG A 54 22.903 15.160 15.022 1.00 0.00 H new ATOM 0 HA ARG A 54 20.103 14.516 14.801 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.009 15.534 16.998 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.306 15.215 17.262 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.651 12.832 16.562 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.356 13.154 16.317 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.659 13.684 18.687 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.934 13.577 18.977 1.00 0.00 H new ATOM 0 HE ARG A 54 21.365 11.125 18.060 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.522 12.834 20.234 1.00 0.00 H new ATOM 0 HH12 ARG A 54 23.968 11.372 21.121 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.938 9.191 19.317 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.107 9.394 20.626 1.00 0.00 H new ATOM 871 N THR A 55 19.336 16.963 15.260 1.00 0.00 N ATOM 872 CA THR A 55 18.882 18.336 15.319 1.00 0.00 C ATOM 873 C THR A 55 18.640 18.693 16.784 1.00 0.00 C ATOM 874 O THR A 55 18.450 17.810 17.612 1.00 0.00 O ATOM 875 CB THR A 55 17.644 18.548 14.448 1.00 0.00 C ATOM 876 OG1 THR A 55 16.479 17.919 14.906 1.00 0.00 O ATOM 877 CG2 THR A 55 17.811 18.320 12.946 1.00 0.00 C ATOM 0 H THR A 55 18.592 16.269 15.333 1.00 0.00 H new ATOM 0 HA THR A 55 19.642 19.005 14.914 1.00 0.00 H new ATOM 0 HB THR A 55 17.516 19.623 14.573 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.507 16.968 14.672 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.862 18.503 12.442 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.566 19.003 12.556 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.125 17.292 12.767 1.00 0.00 H new ATOM 885 N LEU A 56 18.537 19.972 17.138 1.00 0.00 N ATOM 886 CA LEU A 56 17.886 20.525 18.310 1.00 0.00 C ATOM 887 C LEU A 56 16.459 20.057 18.618 1.00 0.00 C ATOM 888 O LEU A 56 15.987 19.976 19.750 1.00 0.00 O ATOM 889 CB LEU A 56 17.913 22.048 18.423 1.00 0.00 C ATOM 890 CG LEU A 56 19.204 22.757 18.021 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.970 24.256 18.226 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.480 22.393 18.778 1.00 0.00 C ATOM 0 H LEU A 56 18.944 20.706 16.558 1.00 0.00 H new ATOM 0 HA LEU A 56 18.541 20.087 19.063 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.104 22.446 17.810 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.690 22.314 19.456 1.00 0.00 H new ATOM 0 HG LEU A 56 19.391 22.439 16.995 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.870 24.806 17.950 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.139 24.583 17.601 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.734 24.448 19.273 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.314 22.974 18.385 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.350 22.615 19.837 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.687 21.330 18.652 1.00 0.00 H new ATOM 904 N SER A 57 15.630 19.715 17.640 1.00 0.00 N ATOM 905 CA SER A 57 14.292 19.164 17.718 1.00 0.00 C ATOM 906 C SER A 57 14.412 17.719 18.204 1.00 0.00 C ATOM 907 O SER A 57 13.555 17.298 18.974 1.00 0.00 O ATOM 908 CB SER A 57 13.430 19.268 16.457 1.00 0.00 C ATOM 909 OG SER A 57 13.771 18.518 15.322 1.00 0.00 O ATOM 0 H SER A 57 15.915 19.832 16.668 1.00 0.00 H new ATOM 0 HA SER A 57 13.741 19.788 18.421 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.412 18.995 16.734 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.410 20.317 16.161 1.00 0.00 H new ATOM 0 HG SER A 57 14.741 18.383 15.298 1.00 0.00 H new ATOM 915 N ASP A 58 15.426 16.921 17.902 1.00 0.00 N ATOM 916 CA ASP A 58 15.611 15.521 18.240 1.00 0.00 C ATOM 917 C ASP A 58 16.022 15.466 19.709 1.00 0.00 C ATOM 918 O ASP A 58 15.641 14.534 20.418 1.00 0.00 O ATOM 919 CB ASP A 58 16.694 14.893 17.363 1.00 0.00 C ATOM 920 CG ASP A 58 16.352 14.838 15.881 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.258 14.415 15.444 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.181 15.370 15.117 1.00 0.00 O ATOM 0 H ASP A 58 16.215 17.274 17.361 1.00 0.00 H new ATOM 0 HA ASP A 58 14.691 14.961 18.071 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.618 15.457 17.489 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.888 13.880 17.716 1.00 0.00 H new ATOM 927 N TYR A 59 16.754 16.462 20.198 1.00 0.00 N ATOM 928 CA TYR A 59 17.046 16.652 21.606 1.00 0.00 C ATOM 929 C TYR A 59 15.831 17.294 22.290 1.00 0.00 C ATOM 930 O TYR A 59 15.772 17.135 23.500 1.00 0.00 O ATOM 931 CB TYR A 59 18.292 17.534 21.730 1.00 0.00 C ATOM 932 CG TYR A 59 19.554 16.711 21.560 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.079 15.948 22.602 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.290 16.699 20.367 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.326 15.310 22.535 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.552 16.109 20.258 1.00 0.00 C ATOM 937 CZ TYR A 59 22.104 15.475 21.376 1.00 0.00 C ATOM 938 OH TYR A 59 23.227 14.707 21.304 1.00 0.00 O ATOM 0 H TYR A 59 17.171 17.178 19.604 1.00 0.00 H new ATOM 0 HA TYR A 59 17.244 15.699 22.096 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.262 18.321 20.977 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.301 18.024 22.704 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.497 15.843 23.505 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.862 17.167 19.493 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.681 14.705 23.356 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.093 16.142 19.324 1.00 0.00 H new ATOM 0 HH TYR A 59 23.178 13.992 21.973 1.00 0.00 H new ATOM 948 N ASN A 60 14.886 17.946 21.615 1.00 0.00 N ATOM 949 CA ASN A 60 13.656 18.527 22.123 1.00 0.00 C ATOM 950 C ASN A 60 14.033 19.777 22.917 1.00 0.00 C ATOM 951 O ASN A 60 13.657 19.996 24.069 1.00 0.00 O ATOM 952 CB ASN A 60 12.959 17.428 22.934 1.00 0.00 C ATOM 953 CG ASN A 60 11.515 17.731 23.302 1.00 0.00 C ATOM 954 OD1 ASN A 60 10.887 18.686 22.854 1.00 0.00 O ATOM 955 ND2 ASN A 60 10.860 16.965 24.175 1.00 0.00 N ATOM 0 H ASN A 60 14.975 18.091 20.609 1.00 0.00 H new ATOM 0 HA ASN A 60 12.954 18.855 21.356 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.987 16.500 22.363 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.525 17.256 23.850 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.898 17.190 24.430 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.321 16.154 24.588 1.00 0.00 H new ATOM 962 N ILE A 61 14.946 20.590 22.403 1.00 0.00 N ATOM 963 CA ILE A 61 15.410 21.868 22.915 1.00 0.00 C ATOM 964 C ILE A 61 14.438 22.995 22.544 1.00 0.00 C ATOM 965 O ILE A 61 13.777 22.811 21.528 1.00 0.00 O ATOM 966 CB ILE A 61 16.823 22.111 22.384 1.00 0.00 C ATOM 967 CG1 ILE A 61 17.747 20.979 22.841 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.347 23.472 22.823 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.078 21.060 22.080 1.00 0.00 C ATOM 0 H ILE A 61 15.424 20.346 21.535 1.00 0.00 H new ATOM 0 HA ILE A 61 15.443 21.852 24.004 1.00 0.00 H new ATOM 0 HB ILE A 61 16.796 22.116 21.294 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.925 21.052 23.914 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.272 20.014 22.662 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.354 23.618 22.431 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.692 24.255 22.441 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.371 23.519 23.912 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.734 20.253 22.407 1.00 0.00 H new ATOM 0 HD12 ILE A 61 18.892 20.965 21.010 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.555 22.019 22.282 1.00 0.00 H new ATOM 981 N GLN A 62 14.201 23.998 23.386 1.00 0.00 N ATOM 982 CA GLN A 62 13.299 25.127 23.236 1.00 0.00 C ATOM 983 C GLN A 62 13.880 26.490 23.601 1.00 0.00 C ATOM 984 O GLN A 62 14.849 26.659 24.338 1.00 0.00 O ATOM 985 CB GLN A 62 12.047 24.822 24.059 1.00 0.00 C ATOM 986 CG GLN A 62 10.814 25.728 24.154 1.00 0.00 C ATOM 987 CD GLN A 62 10.208 26.117 22.814 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.718 26.987 22.108 1.00 0.00 O ATOM 989 NE2 GLN A 62 8.929 25.820 22.656 1.00 0.00 N ATOM 0 H GLN A 62 14.689 24.040 24.281 1.00 0.00 H new ATOM 0 HA GLN A 62 13.078 25.228 22.173 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.683 23.858 23.704 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.390 24.676 25.083 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.053 25.222 24.749 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.087 26.636 24.691 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.497 25.101 23.236 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.375 26.310 21.954 1.00 0.00 H new ATOM 998 N LYS A 63 13.270 27.566 23.104 1.00 0.00 N ATOM 999 CA LYS A 63 13.674 28.951 23.230 1.00 0.00 C ATOM 1000 C LYS A 63 14.191 29.485 24.577 1.00 0.00 C ATOM 1001 O LYS A 63 13.729 28.985 25.607 1.00 0.00 O ATOM 1002 CB LYS A 63 12.559 29.851 22.714 1.00 0.00 C ATOM 1003 CG LYS A 63 11.366 29.970 23.666 1.00 0.00 C ATOM 1004 CD LYS A 63 11.217 31.387 24.222 1.00 0.00 C ATOM 1005 CE LYS A 63 10.033 31.849 25.061 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.242 33.264 25.438 1.00 0.00 N ATOM 0 H LYS A 63 12.412 27.475 22.560 1.00 0.00 H new ATOM 0 HA LYS A 63 14.581 28.976 22.626 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.965 30.846 22.530 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.210 29.467 21.756 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.453 29.689 23.141 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.489 29.268 24.491 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.108 31.575 24.822 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.263 32.058 23.364 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.106 31.741 24.498 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.938 31.230 25.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.377 33.637 25.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.031 33.331 26.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.465 33.820 24.588 1.00 0.00 H new ATOM 1020 N GLU A 64 15.225 30.305 24.485 1.00 0.00 N ATOM 1021 CA GLU A 64 15.889 31.075 25.520 1.00 0.00 C ATOM 1022 C GLU A 64 16.696 30.262 26.541 1.00 0.00 C ATOM 1023 O GLU A 64 17.040 30.632 27.669 1.00 0.00 O ATOM 1024 CB GLU A 64 14.905 32.100 26.088 1.00 0.00 C ATOM 1025 CG GLU A 64 14.869 33.420 25.324 1.00 0.00 C ATOM 1026 CD GLU A 64 13.563 34.178 25.518 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.683 33.782 26.321 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.434 35.205 24.816 1.00 0.00 O ATOM 0 H GLU A 64 15.668 30.464 23.580 1.00 0.00 H new ATOM 0 HA GLU A 64 16.706 31.631 25.060 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.905 31.666 26.089 1.00 0.00 H new ATOM 0 HB3 GLU A 64 15.166 32.301 27.127 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.699 34.046 25.650 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.016 33.224 24.262 1.00 0.00 H new ATOM 1035 N SER A 65 17.150 29.130 26.024 1.00 0.00 N ATOM 1036 CA SER A 65 18.110 28.275 26.695 1.00 0.00 C ATOM 1037 C SER A 65 19.487 28.880 26.427 1.00 0.00 C ATOM 1038 O SER A 65 19.722 29.495 25.384 1.00 0.00 O ATOM 1039 CB SER A 65 18.173 26.914 25.998 1.00 0.00 C ATOM 1040 OG SER A 65 16.908 26.318 26.156 1.00 0.00 O ATOM 0 H SER A 65 16.856 28.777 25.113 1.00 0.00 H new ATOM 0 HA SER A 65 17.840 28.182 27.747 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.416 27.031 24.942 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.952 26.290 26.437 1.00 0.00 H new ATOM 0 HG SER A 65 16.332 26.569 25.404 1.00 0.00 H new ATOM 1046 N THR A 66 20.363 28.566 27.378 1.00 0.00 N ATOM 1047 CA THR A 66 21.777 28.807 27.152 1.00 0.00 C ATOM 1048 C THR A 66 22.306 27.434 26.733 1.00 0.00 C ATOM 1049 O THR A 66 22.029 26.362 27.255 1.00 0.00 O ATOM 1050 CB THR A 66 22.424 29.375 28.416 1.00 0.00 C ATOM 1051 OG1 THR A 66 22.311 28.470 29.482 1.00 0.00 O ATOM 1052 CG2 THR A 66 21.856 30.740 28.819 1.00 0.00 C ATOM 0 H THR A 66 20.126 28.158 28.282 1.00 0.00 H new ATOM 0 HA THR A 66 21.998 29.553 26.389 1.00 0.00 H new ATOM 0 HB THR A 66 23.477 29.526 28.179 1.00 0.00 H new ATOM 0 HG1 THR A 66 22.732 28.851 30.281 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.355 31.090 29.723 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.021 31.455 28.013 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.787 30.648 29.008 1.00 0.00 H new ATOM 1060 N LEU A 67 23.073 27.414 25.644 1.00 0.00 N ATOM 1061 CA LEU A 67 23.787 26.307 25.034 1.00 0.00 C ATOM 1062 C LEU A 67 25.253 26.741 25.153 1.00 0.00 C ATOM 1063 O LEU A 67 25.519 27.935 24.988 1.00 0.00 O ATOM 1064 CB LEU A 67 23.505 26.192 23.538 1.00 0.00 C ATOM 1065 CG LEU A 67 22.404 25.168 23.232 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.085 25.657 23.807 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.283 24.754 21.762 1.00 0.00 C ATOM 0 H LEU A 67 23.222 28.272 25.113 1.00 0.00 H new ATOM 0 HA LEU A 67 23.515 25.362 25.504 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.210 27.167 23.150 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.420 25.906 23.019 1.00 0.00 H new ATOM 0 HG LEU A 67 22.700 24.241 23.724 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.302 24.930 23.590 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.181 25.776 24.886 1.00 0.00 H new ATOM 0 HD13 LEU A 67 20.825 26.615 23.357 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.477 24.028 21.654 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.065 25.632 21.154 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.221 24.307 21.432 1.00 0.00 H new ATOM 1079 N HIS A 68 26.236 25.852 25.261 1.00 0.00 N ATOM 1080 CA HIS A 68 27.595 26.210 25.651 1.00 0.00 C ATOM 1081 C HIS A 68 28.648 25.813 24.617 1.00 0.00 C ATOM 1082 O HIS A 68 28.585 24.770 23.962 1.00 0.00 O ATOM 1083 CB HIS A 68 27.922 25.693 27.042 1.00 0.00 C ATOM 1084 CG HIS A 68 27.261 26.458 28.159 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.784 27.708 28.478 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.002 26.277 28.675 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.879 28.195 29.338 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.882 27.321 29.568 1.00 0.00 N ATOM 0 H HIS A 68 26.111 24.856 25.079 1.00 0.00 H new ATOM 0 HA HIS A 68 27.631 27.299 25.688 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.623 24.647 27.108 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.002 25.726 27.184 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.283 25.507 28.440 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.942 29.173 29.792 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.160 27.415 30.282 1.00 0.00 H new ATOM 1096 N LEU A 69 29.655 26.658 24.384 1.00 0.00 N ATOM 1097 CA LEU A 69 30.861 26.305 23.668 1.00 0.00 C ATOM 1098 C LEU A 69 31.965 25.801 24.598 1.00 0.00 C ATOM 1099 O LEU A 69 32.070 26.264 25.728 1.00 0.00 O ATOM 1100 CB LEU A 69 31.538 27.547 23.093 1.00 0.00 C ATOM 1101 CG LEU A 69 30.985 27.930 21.727 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.116 29.425 21.468 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.618 27.046 20.649 1.00 0.00 C ATOM 0 H LEU A 69 29.644 27.628 24.700 1.00 0.00 H new ATOM 0 HA LEU A 69 30.527 25.571 22.935 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.406 28.381 23.782 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.610 27.368 23.011 1.00 0.00 H new ATOM 0 HG LEU A 69 29.912 27.740 21.698 1.00 0.00 H new ATOM 0 HD11 LEU A 69 30.711 29.661 20.484 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.564 29.976 22.229 1.00 0.00 H new ATOM 0 HD13 LEU A 69 32.167 29.710 21.505 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.220 27.322 19.672 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.699 27.185 20.653 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.386 26.001 20.853 1.00 0.00 H new ATOM 1115 N VAL A 70 32.676 24.776 24.155 1.00 0.00 N ATOM 1116 CA VAL A 70 33.967 24.280 24.616 1.00 0.00 C ATOM 1117 C VAL A 70 34.813 24.024 23.361 1.00 0.00 C ATOM 1118 O VAL A 70 34.316 23.988 22.245 1.00 0.00 O ATOM 1119 CB VAL A 70 33.836 23.108 25.584 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.875 21.987 25.565 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.555 23.649 26.985 1.00 0.00 C ATOM 0 H VAL A 70 32.327 24.210 23.381 1.00 0.00 H new ATOM 0 HA VAL A 70 34.486 25.014 25.232 1.00 0.00 H new ATOM 0 HB VAL A 70 32.991 22.543 25.192 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.621 21.242 26.319 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.886 21.518 24.581 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.860 22.400 25.781 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.460 22.818 27.684 1.00 0.00 H new ATOM 0 HG22 VAL A 70 34.376 24.294 27.298 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.628 24.222 26.975 1.00 0.00 H new ATOM 1131 N LEU A 71 36.113 24.275 23.493 1.00 0.00 N ATOM 1132 CA LEU A 71 37.193 24.393 22.530 1.00 0.00 C ATOM 1133 C LEU A 71 38.206 23.285 22.786 1.00 0.00 C ATOM 1134 O LEU A 71 38.667 23.097 23.911 1.00 0.00 O ATOM 1135 CB LEU A 71 37.741 25.820 22.413 1.00 0.00 C ATOM 1136 CG LEU A 71 38.401 26.412 23.651 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.304 27.566 23.216 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.375 26.958 24.643 1.00 0.00 C ATOM 0 H LEU A 71 36.484 24.423 24.432 1.00 0.00 H new ATOM 0 HA LEU A 71 36.820 24.230 21.519 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.468 25.838 21.601 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.920 26.475 22.121 1.00 0.00 H new ATOM 0 HG LEU A 71 38.965 25.619 24.142 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.785 28.002 24.092 1.00 0.00 H new ATOM 0 HD12 LEU A 71 40.066 27.194 22.531 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.706 28.327 22.714 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.891 27.370 25.510 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.787 27.741 24.164 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.714 26.153 24.963 1.00 0.00 H new