USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 25 ASN : amide:sc= 0.0648 K(o=1.1,f=-4.3!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -148:sc= 1 (180deg=0.57) USER MOD Single : A 1 MET CE :methyl -165:sc= 0 (180deg=-0.311) USER MOD Single : A 1 MET N :NH3+ 142:sc= 0.989 (180deg=0.686) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -54:sc= 1.16 USER MOD Single : A 9 THR OG1 : rot 170:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -178:sc= 0.816 (180deg=0.726) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -62:sc= 0.444 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.26 USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.0685) USER MOD Single : A 31 GLN : amide:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD Single : A 33 LYS NZ :NH3+ -97:sc= 1.01 (180deg=-1.04!) USER MOD Single : A 40 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 41 GLN : amide:sc= -1.01 K(o=-1,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.178) USER MOD Single : A 49 GLN : amide:sc= 0.763 K(o=0.76,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.745 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.007 X(o=-0.007,f=-0.15) USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= 0.16 (180deg=-0.172) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.434 X(o=-0.43,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.665 30.732 16.206 1.00 0.00 N ATOM 2 CA MET A 1 13.771 31.056 17.632 1.00 0.00 C ATOM 3 C MET A 1 15.173 31.538 17.992 1.00 0.00 C ATOM 4 O MET A 1 16.188 31.198 17.380 1.00 0.00 O ATOM 5 CB MET A 1 13.415 29.878 18.557 1.00 0.00 C ATOM 6 CG MET A 1 14.285 28.645 18.306 1.00 0.00 C ATOM 7 SD MET A 1 13.838 27.085 19.094 1.00 0.00 S ATOM 8 CE MET A 1 15.298 26.088 18.699 1.00 0.00 C ATOM 0 H1 MET A 1 13.065 29.892 16.085 1.00 0.00 H new ATOM 0 H2 MET A 1 13.243 31.535 15.698 1.00 0.00 H new ATOM 0 H3 MET A 1 14.612 30.539 15.823 1.00 0.00 H new ATOM 0 HA MET A 1 13.042 31.850 17.793 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.526 30.191 19.595 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.367 29.613 18.414 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.312 28.474 17.230 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.301 28.891 18.615 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.078 25.035 18.875 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.565 26.233 17.652 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.131 26.395 19.332 1.00 0.00 H new ATOM 20 N GLN A 2 15.329 32.320 19.059 1.00 0.00 N ATOM 21 CA GLN A 2 16.554 32.831 19.652 1.00 0.00 C ATOM 22 C GLN A 2 16.925 31.850 20.770 1.00 0.00 C ATOM 23 O GLN A 2 16.136 31.555 21.656 1.00 0.00 O ATOM 24 CB GLN A 2 16.306 34.163 20.355 1.00 0.00 C ATOM 25 CG GLN A 2 16.199 35.373 19.420 1.00 0.00 C ATOM 26 CD GLN A 2 15.928 36.683 20.150 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.160 36.678 21.114 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.521 37.803 19.761 1.00 0.00 N ATOM 0 H GLN A 2 14.513 32.642 19.580 1.00 0.00 H new ATOM 0 HA GLN A 2 17.311 32.949 18.876 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.386 34.086 20.934 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.115 34.340 21.064 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.125 35.467 18.853 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.401 35.196 18.699 1.00 0.00 H new ATOM 0 HE21 GLN A 2 17.154 37.794 18.962 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.344 38.674 20.261 1.00 0.00 H new ATOM 37 N ILE A 3 18.154 31.350 20.661 1.00 0.00 N ATOM 38 CA ILE A 3 18.883 30.664 21.712 1.00 0.00 C ATOM 39 C ILE A 3 19.958 31.683 22.107 1.00 0.00 C ATOM 40 O ILE A 3 20.298 32.509 21.264 1.00 0.00 O ATOM 41 CB ILE A 3 19.427 29.280 21.362 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.523 29.149 20.300 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.305 28.234 21.313 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.207 27.809 20.037 1.00 0.00 C ATOM 0 H ILE A 3 18.689 31.418 19.795 1.00 0.00 H new ATOM 0 HA ILE A 3 18.225 30.390 22.537 1.00 0.00 H new ATOM 0 HB ILE A 3 20.065 29.042 22.213 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.092 29.479 19.354 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.306 29.862 20.559 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.726 27.261 21.061 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.817 28.178 22.286 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.574 28.520 20.557 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.951 27.929 19.250 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.695 27.465 20.949 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.463 27.076 19.725 1.00 0.00 H new ATOM 56 N PHE A 4 20.562 31.520 23.286 1.00 0.00 N ATOM 57 CA PHE A 4 21.864 32.068 23.616 1.00 0.00 C ATOM 58 C PHE A 4 22.997 31.054 23.558 1.00 0.00 C ATOM 59 O PHE A 4 22.748 29.936 24.023 1.00 0.00 O ATOM 60 CB PHE A 4 21.650 32.610 25.032 1.00 0.00 C ATOM 61 CG PHE A 4 20.663 33.728 25.289 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.140 34.512 24.252 1.00 0.00 C ATOM 63 CD2 PHE A 4 20.145 33.939 26.565 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.100 35.439 24.419 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.176 34.917 26.801 1.00 0.00 C ATOM 66 CZ PHE A 4 18.630 35.631 25.720 1.00 0.00 C ATOM 0 H PHE A 4 20.143 30.990 24.050 1.00 0.00 H new ATOM 0 HA PHE A 4 22.184 32.822 22.896 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.351 31.768 25.656 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.620 32.948 25.396 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.563 34.396 23.265 1.00 0.00 H new ATOM 0 HD2 PHE A 4 20.499 33.335 27.387 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.683 35.978 23.581 1.00 0.00 H new ATOM 0 HE2 PHE A 4 18.848 35.124 27.809 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.834 36.339 25.899 1.00 0.00 H new ATOM 76 N VAL A 5 24.181 31.419 23.087 1.00 0.00 N ATOM 77 CA VAL A 5 25.427 30.696 23.268 1.00 0.00 C ATOM 78 C VAL A 5 26.269 31.557 24.209 1.00 0.00 C ATOM 79 O VAL A 5 26.538 32.723 23.907 1.00 0.00 O ATOM 80 CB VAL A 5 26.089 30.261 21.953 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.572 29.920 21.954 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.270 29.177 21.261 1.00 0.00 C ATOM 0 H VAL A 5 24.302 32.272 22.540 1.00 0.00 H new ATOM 0 HA VAL A 5 25.271 29.720 23.727 1.00 0.00 H new ATOM 0 HB VAL A 5 26.080 31.188 21.379 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.880 29.633 20.949 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.145 30.790 22.275 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.755 29.092 22.640 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.761 28.887 20.332 1.00 0.00 H new ATOM 0 HG22 VAL A 5 25.189 28.309 21.915 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.273 29.559 21.040 1.00 0.00 H new ATOM 92 N LYS A 6 26.553 31.041 25.396 1.00 0.00 N ATOM 93 CA LYS A 6 27.520 31.628 26.305 1.00 0.00 C ATOM 94 C LYS A 6 28.897 31.119 25.850 1.00 0.00 C ATOM 95 O LYS A 6 29.204 29.939 25.951 1.00 0.00 O ATOM 96 CB LYS A 6 27.212 31.185 27.733 1.00 0.00 C ATOM 97 CG LYS A 6 28.059 31.945 28.753 1.00 0.00 C ATOM 98 CD LYS A 6 27.634 31.657 30.191 1.00 0.00 C ATOM 99 CE LYS A 6 28.241 32.608 31.219 1.00 0.00 C ATOM 100 NZ LYS A 6 29.496 32.120 31.797 1.00 0.00 N ATOM 0 H LYS A 6 26.113 30.194 25.756 1.00 0.00 H new ATOM 0 HA LYS A 6 27.490 32.718 26.291 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.155 31.346 27.945 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.397 30.115 27.831 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.107 31.674 28.625 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.981 33.015 28.561 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.547 31.713 30.256 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.916 30.635 30.445 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.419 33.575 30.748 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.521 32.772 32.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 29.853 32.812 32.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 29.328 31.212 32.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 30.198 31.989 31.041 1.00 0.00 H new ATOM 114 N THR A 7 29.662 32.020 25.244 1.00 0.00 N ATOM 115 CA THR A 7 31.034 31.891 24.795 1.00 0.00 C ATOM 116 C THR A 7 31.970 31.922 26.002 1.00 0.00 C ATOM 117 O THR A 7 31.635 32.504 27.033 1.00 0.00 O ATOM 118 CB THR A 7 31.145 33.061 23.813 1.00 0.00 C ATOM 119 OG1 THR A 7 31.568 34.209 24.513 1.00 0.00 O ATOM 120 CG2 THR A 7 29.981 33.537 22.953 1.00 0.00 C ATOM 0 H THR A 7 29.296 32.949 25.037 1.00 0.00 H new ATOM 0 HA THR A 7 31.313 30.958 24.305 1.00 0.00 H new ATOM 0 HB THR A 7 31.821 32.604 23.091 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.970 34.368 25.273 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.302 34.378 22.339 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.648 32.723 22.308 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.158 33.850 23.596 1.00 0.00 H new ATOM 128 N LEU A 8 33.184 31.371 25.951 1.00 0.00 N ATOM 129 CA LEU A 8 34.062 30.941 27.023 1.00 0.00 C ATOM 130 C LEU A 8 34.399 31.990 28.094 1.00 0.00 C ATOM 131 O LEU A 8 34.587 31.691 29.265 1.00 0.00 O ATOM 132 CB LEU A 8 35.352 30.340 26.476 1.00 0.00 C ATOM 133 CG LEU A 8 36.408 29.789 27.433 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.898 28.527 28.140 1.00 0.00 C ATOM 135 CD2 LEU A 8 37.664 29.370 26.665 1.00 0.00 C ATOM 0 H LEU A 8 33.620 31.198 25.045 1.00 0.00 H new ATOM 0 HA LEU A 8 33.468 30.187 27.540 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.071 29.530 25.803 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.834 31.106 25.869 1.00 0.00 H new ATOM 0 HG LEU A 8 36.626 30.580 28.150 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.667 28.153 28.816 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.000 28.767 28.709 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.665 27.763 27.398 1.00 0.00 H new ATOM 0 HD21 LEU A 8 38.404 28.980 27.363 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.407 28.597 25.940 1.00 0.00 H new ATOM 0 HD23 LEU A 8 38.077 30.234 26.143 1.00 0.00 H new ATOM 147 N THR A 9 34.576 33.244 27.684 1.00 0.00 N ATOM 148 CA THR A 9 34.844 34.394 28.518 1.00 0.00 C ATOM 149 C THR A 9 33.701 34.805 29.450 1.00 0.00 C ATOM 150 O THR A 9 34.084 35.437 30.428 1.00 0.00 O ATOM 151 CB THR A 9 35.261 35.594 27.670 1.00 0.00 C ATOM 152 OG1 THR A 9 34.476 35.879 26.535 1.00 0.00 O ATOM 153 CG2 THR A 9 36.586 35.338 26.952 1.00 0.00 C ATOM 0 H THR A 9 34.531 33.491 26.695 1.00 0.00 H new ATOM 0 HA THR A 9 35.660 34.074 29.166 1.00 0.00 H new ATOM 0 HB THR A 9 35.223 36.380 28.424 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.736 36.750 26.168 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.853 36.212 26.358 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.367 35.147 27.688 1.00 0.00 H new ATOM 0 HG23 THR A 9 36.484 34.472 26.298 1.00 0.00 H new ATOM 161 N GLY A 10 32.415 34.526 29.247 1.00 0.00 N ATOM 162 CA GLY A 10 31.364 35.214 29.972 1.00 0.00 C ATOM 163 C GLY A 10 30.336 35.827 29.018 1.00 0.00 C ATOM 164 O GLY A 10 29.187 35.724 29.447 1.00 0.00 O ATOM 0 H GLY A 10 32.082 33.826 28.584 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.867 34.515 30.645 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.800 35.998 30.592 1.00 0.00 H new ATOM 168 N LYS A 11 30.803 36.302 27.870 1.00 0.00 N ATOM 169 CA LYS A 11 30.072 37.008 26.839 1.00 0.00 C ATOM 170 C LYS A 11 29.060 35.994 26.320 1.00 0.00 C ATOM 171 O LYS A 11 29.395 34.861 25.952 1.00 0.00 O ATOM 172 CB LYS A 11 31.028 37.463 25.743 1.00 0.00 C ATOM 173 CG LYS A 11 30.407 38.482 24.780 1.00 0.00 C ATOM 174 CD LYS A 11 31.396 39.097 23.791 1.00 0.00 C ATOM 175 CE LYS A 11 32.137 38.129 22.866 1.00 0.00 C ATOM 176 NZ LYS A 11 33.005 38.868 21.927 1.00 0.00 N ATOM 0 H LYS A 11 31.786 36.191 27.621 1.00 0.00 H new ATOM 0 HA LYS A 11 29.579 37.908 27.205 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.914 37.901 26.202 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.360 36.593 25.176 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.607 37.996 24.221 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.949 39.282 25.362 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.856 39.813 23.171 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.137 39.661 24.358 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.738 37.439 23.459 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.418 37.528 22.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.473 38.197 21.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.429 39.533 21.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.725 39.396 22.461 1.00 0.00 H new ATOM 190 N THR A 12 27.849 36.479 26.079 1.00 0.00 N ATOM 191 CA THR A 12 26.713 35.801 25.472 1.00 0.00 C ATOM 192 C THR A 12 26.354 36.496 24.159 1.00 0.00 C ATOM 193 O THR A 12 26.157 37.700 24.059 1.00 0.00 O ATOM 194 CB THR A 12 25.553 35.950 26.467 1.00 0.00 C ATOM 195 OG1 THR A 12 25.976 35.529 27.741 1.00 0.00 O ATOM 196 CG2 THR A 12 24.439 34.991 26.038 1.00 0.00 C ATOM 0 H THR A 12 27.617 37.441 26.325 1.00 0.00 H new ATOM 0 HA THR A 12 26.929 34.754 25.260 1.00 0.00 H new ATOM 0 HB THR A 12 25.220 36.988 26.490 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.238 35.625 28.379 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.600 35.076 26.729 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.107 35.246 25.031 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.815 33.968 26.048 1.00 0.00 H new ATOM 204 N ILE A 13 26.235 35.665 23.135 1.00 0.00 N ATOM 205 CA ILE A 13 25.655 36.020 21.852 1.00 0.00 C ATOM 206 C ILE A 13 24.367 35.230 21.669 1.00 0.00 C ATOM 207 O ILE A 13 24.308 34.071 22.074 1.00 0.00 O ATOM 208 CB ILE A 13 26.672 35.666 20.757 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.176 34.225 20.805 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.843 36.643 20.840 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.165 33.779 19.725 1.00 0.00 C ATOM 0 H ILE A 13 26.549 34.696 23.177 1.00 0.00 H new ATOM 0 HA ILE A 13 25.424 37.084 21.798 1.00 0.00 H new ATOM 0 HB ILE A 13 26.153 35.754 19.803 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.646 34.067 21.776 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.310 33.565 20.759 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.573 36.402 20.067 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.480 37.660 20.692 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.313 36.565 21.820 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.434 32.735 19.886 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.705 33.887 18.743 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.062 34.396 19.776 1.00 0.00 H new ATOM 223 N THR A 14 23.353 35.838 21.049 1.00 0.00 N ATOM 224 CA THR A 14 22.064 35.291 20.690 1.00 0.00 C ATOM 225 C THR A 14 22.208 34.717 19.276 1.00 0.00 C ATOM 226 O THR A 14 22.582 35.356 18.292 1.00 0.00 O ATOM 227 CB THR A 14 21.103 36.474 20.679 1.00 0.00 C ATOM 228 OG1 THR A 14 20.993 36.941 22.004 1.00 0.00 O ATOM 229 CG2 THR A 14 19.701 35.992 20.319 1.00 0.00 C ATOM 0 H THR A 14 23.432 36.814 20.764 1.00 0.00 H new ATOM 0 HA THR A 14 21.710 34.514 21.368 1.00 0.00 H new ATOM 0 HB THR A 14 21.465 37.225 19.977 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.609 36.238 22.568 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.016 36.839 20.312 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.717 35.530 19.332 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.367 35.262 21.056 1.00 0.00 H new ATOM 237 N LEU A 15 21.759 33.479 19.125 1.00 0.00 N ATOM 238 CA LEU A 15 21.750 32.696 17.902 1.00 0.00 C ATOM 239 C LEU A 15 20.289 32.472 17.531 1.00 0.00 C ATOM 240 O LEU A 15 19.605 31.753 18.259 1.00 0.00 O ATOM 241 CB LEU A 15 22.587 31.417 17.978 1.00 0.00 C ATOM 242 CG LEU A 15 24.089 31.511 17.738 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.864 31.965 18.976 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.643 30.200 17.180 1.00 0.00 C ATOM 0 H LEU A 15 21.364 32.961 19.910 1.00 0.00 H new ATOM 0 HA LEU A 15 22.250 33.243 17.103 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.437 30.982 18.966 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.180 30.712 17.253 1.00 0.00 H new ATOM 0 HG LEU A 15 24.234 32.288 16.987 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.928 32.013 18.742 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.515 32.951 19.282 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.702 31.255 19.787 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.717 30.298 17.019 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.454 29.394 17.889 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.154 29.972 16.233 1.00 0.00 H new ATOM 256 N GLU A 16 19.926 33.153 16.458 1.00 0.00 N ATOM 257 CA GLU A 16 18.669 32.922 15.776 1.00 0.00 C ATOM 258 C GLU A 16 18.770 31.575 15.048 1.00 0.00 C ATOM 259 O GLU A 16 19.660 31.423 14.225 1.00 0.00 O ATOM 260 CB GLU A 16 18.384 34.193 14.975 1.00 0.00 C ATOM 261 CG GLU A 16 16.927 34.410 14.592 1.00 0.00 C ATOM 262 CD GLU A 16 16.552 35.860 14.287 1.00 0.00 C ATOM 263 OE1 GLU A 16 17.473 36.687 14.400 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.332 36.025 14.058 1.00 0.00 O ATOM 0 H GLU A 16 20.498 33.884 16.035 1.00 0.00 H new ATOM 0 HA GLU A 16 17.785 32.789 16.400 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.721 35.052 15.556 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.982 34.170 14.064 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.701 33.800 13.717 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.295 34.049 15.404 1.00 0.00 H new ATOM 271 N VAL A 17 18.021 30.548 15.452 1.00 0.00 N ATOM 272 CA VAL A 17 18.008 29.194 14.942 1.00 0.00 C ATOM 273 C VAL A 17 16.564 28.737 14.779 1.00 0.00 C ATOM 274 O VAL A 17 15.694 29.303 15.451 1.00 0.00 O ATOM 275 CB VAL A 17 18.744 28.269 15.919 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.239 28.531 15.772 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.310 28.421 17.374 1.00 0.00 C ATOM 0 H VAL A 17 17.351 30.663 16.213 1.00 0.00 H new ATOM 0 HA VAL A 17 18.511 29.158 13.975 1.00 0.00 H new ATOM 0 HB VAL A 17 18.490 27.241 15.660 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.790 27.886 16.456 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.546 28.320 14.748 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.450 29.574 16.007 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.879 27.731 17.997 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.493 29.444 17.703 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.247 28.197 17.462 1.00 0.00 H new ATOM 287 N GLU A 18 16.321 27.637 14.069 1.00 0.00 N ATOM 288 CA GLU A 18 15.042 26.965 14.030 1.00 0.00 C ATOM 289 C GLU A 18 15.204 25.562 14.625 1.00 0.00 C ATOM 290 O GLU A 18 16.339 25.097 14.627 1.00 0.00 O ATOM 291 CB GLU A 18 14.549 27.066 12.591 1.00 0.00 C ATOM 292 CG GLU A 18 14.051 28.443 12.141 1.00 0.00 C ATOM 293 CD GLU A 18 12.893 28.955 12.992 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.985 28.182 13.384 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.866 30.140 13.374 1.00 0.00 O ATOM 0 H GLU A 18 17.031 27.184 13.494 1.00 0.00 H new ATOM 0 HA GLU A 18 14.263 27.413 14.647 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.360 26.762 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.740 26.348 12.455 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.874 29.156 12.187 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.735 28.388 11.099 1.00 0.00 H new ATOM 302 N PRO A 19 14.169 24.843 15.054 1.00 0.00 N ATOM 303 CA PRO A 19 14.264 23.498 15.593 1.00 0.00 C ATOM 304 C PRO A 19 14.736 22.471 14.568 1.00 0.00 C ATOM 305 O PRO A 19 15.380 21.481 14.930 1.00 0.00 O ATOM 306 CB PRO A 19 12.907 23.204 16.237 1.00 0.00 C ATOM 307 CG PRO A 19 12.157 24.535 16.272 1.00 0.00 C ATOM 308 CD PRO A 19 12.913 25.499 15.355 1.00 0.00 C ATOM 0 HA PRO A 19 15.045 23.424 16.349 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.355 22.461 15.661 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.032 22.800 17.242 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.129 24.407 15.933 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.112 24.925 17.289 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.347 25.700 14.445 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.079 26.458 15.845 1.00 0.00 H new ATOM 316 N SER A 20 14.610 22.814 13.283 1.00 0.00 N ATOM 317 CA SER A 20 15.169 22.012 12.212 1.00 0.00 C ATOM 318 C SER A 20 16.700 22.064 12.185 1.00 0.00 C ATOM 319 O SER A 20 17.212 21.102 11.609 1.00 0.00 O ATOM 320 CB SER A 20 14.699 22.423 10.821 1.00 0.00 C ATOM 321 OG SER A 20 15.094 23.715 10.425 1.00 0.00 O ATOM 0 H SER A 20 14.120 23.651 12.966 1.00 0.00 H new ATOM 0 HA SER A 20 14.811 21.007 12.436 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.080 21.703 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.611 22.364 10.788 1.00 0.00 H new ATOM 0 HG SER A 20 14.755 23.899 9.524 1.00 0.00 H new ATOM 327 N ASP A 21 17.351 23.114 12.677 1.00 0.00 N ATOM 328 CA ASP A 21 18.777 23.371 12.704 1.00 0.00 C ATOM 329 C ASP A 21 19.566 22.194 13.279 1.00 0.00 C ATOM 330 O ASP A 21 19.211 21.684 14.328 1.00 0.00 O ATOM 331 CB ASP A 21 19.208 24.680 13.368 1.00 0.00 C ATOM 332 CG ASP A 21 19.271 25.936 12.522 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.196 26.556 12.369 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.348 26.238 11.949 1.00 0.00 O ATOM 0 H ASP A 21 16.835 23.880 13.109 1.00 0.00 H new ATOM 0 HA ASP A 21 19.025 23.493 11.650 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.525 24.872 14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.196 24.522 13.800 1.00 0.00 H new ATOM 339 N THR A 22 20.641 21.847 12.583 1.00 0.00 N ATOM 340 CA THR A 22 21.569 20.817 13.025 1.00 0.00 C ATOM 341 C THR A 22 22.599 21.375 14.011 1.00 0.00 C ATOM 342 O THR A 22 23.002 22.515 13.784 1.00 0.00 O ATOM 343 CB THR A 22 22.201 20.230 11.764 1.00 0.00 C ATOM 344 OG1 THR A 22 22.730 21.145 10.822 1.00 0.00 O ATOM 345 CG2 THR A 22 21.208 19.452 10.889 1.00 0.00 C ATOM 0 H THR A 22 20.894 22.275 11.692 1.00 0.00 H new ATOM 0 HA THR A 22 21.056 20.031 13.579 1.00 0.00 H new ATOM 0 HB THR A 22 22.984 19.633 12.231 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.106 20.652 10.063 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.724 19.063 10.011 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.790 18.624 11.461 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.404 20.116 10.573 1.00 0.00 H new ATOM 353 N ILE A 23 23.163 20.693 15.004 1.00 0.00 N ATOM 354 CA ILE A 23 24.287 21.027 15.845 1.00 0.00 C ATOM 355 C ILE A 23 25.475 21.517 15.015 1.00 0.00 C ATOM 356 O ILE A 23 26.108 22.487 15.423 1.00 0.00 O ATOM 357 CB ILE A 23 24.604 19.806 16.711 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.298 19.235 17.265 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.727 19.907 17.738 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.295 20.268 17.790 1.00 0.00 C ATOM 0 H ILE A 23 22.788 19.780 15.262 1.00 0.00 H new ATOM 0 HA ILE A 23 24.046 21.862 16.503 1.00 0.00 H new ATOM 0 HB ILE A 23 25.074 19.096 16.031 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.815 18.652 16.481 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.538 18.544 18.073 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.823 18.959 18.267 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.664 20.136 17.231 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.498 20.699 18.451 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.406 19.757 18.159 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.749 20.837 18.601 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.015 20.946 16.984 1.00 0.00 H new ATOM 372 N GLU A 24 25.812 20.896 13.883 1.00 0.00 N ATOM 373 CA GLU A 24 26.641 21.305 12.772 1.00 0.00 C ATOM 374 C GLU A 24 26.425 22.774 12.374 1.00 0.00 C ATOM 375 O GLU A 24 27.348 23.570 12.488 1.00 0.00 O ATOM 376 CB GLU A 24 26.607 20.391 11.545 1.00 0.00 C ATOM 377 CG GLU A 24 27.478 20.753 10.337 1.00 0.00 C ATOM 378 CD GLU A 24 28.438 19.750 9.727 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.639 18.659 10.312 1.00 0.00 O ATOM 380 OE2 GLU A 24 28.854 19.993 8.579 1.00 0.00 O ATOM 0 H GLU A 24 25.450 19.958 13.712 1.00 0.00 H new ATOM 0 HA GLU A 24 27.650 21.202 13.172 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.891 19.390 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.574 20.334 11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.803 21.070 9.542 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.068 21.625 10.621 1.00 0.00 H new ATOM 387 N ASN A 25 25.237 23.103 11.881 1.00 0.00 N ATOM 388 CA ASN A 25 24.916 24.457 11.479 1.00 0.00 C ATOM 389 C ASN A 25 24.972 25.403 12.680 1.00 0.00 C ATOM 390 O ASN A 25 25.304 26.580 12.536 1.00 0.00 O ATOM 391 CB ASN A 25 23.564 24.483 10.752 1.00 0.00 C ATOM 392 CG ASN A 25 23.560 25.292 9.469 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.339 26.504 9.498 1.00 0.00 O ATOM 394 ND2 ASN A 25 24.070 24.667 8.415 1.00 0.00 N ATOM 0 H ASN A 25 24.475 22.438 11.751 1.00 0.00 H new ATOM 0 HA ASN A 25 25.663 24.817 10.772 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.268 23.459 10.523 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.810 24.889 11.426 1.00 0.00 H new ATOM 0 HD21 ASN A 25 24.300 25.193 7.572 1.00 0.00 H new ATOM 0 HD22 ASN A 25 24.232 23.660 8.448 1.00 0.00 H new ATOM 401 N VAL A 26 24.579 24.950 13.867 1.00 0.00 N ATOM 402 CA VAL A 26 24.864 25.766 15.039 1.00 0.00 C ATOM 403 C VAL A 26 26.338 26.102 15.253 1.00 0.00 C ATOM 404 O VAL A 26 26.614 27.282 15.445 1.00 0.00 O ATOM 405 CB VAL A 26 24.087 25.167 16.212 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.373 25.992 17.465 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.588 25.131 15.940 1.00 0.00 C ATOM 0 H VAL A 26 24.089 24.072 14.039 1.00 0.00 H new ATOM 0 HA VAL A 26 24.500 26.784 14.897 1.00 0.00 H new ATOM 0 HB VAL A 26 24.414 24.137 16.354 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.824 25.574 18.309 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.441 25.969 17.680 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.058 27.023 17.302 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.073 24.698 16.798 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.224 26.145 15.772 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.393 24.524 15.056 1.00 0.00 H new ATOM 417 N LYS A 27 27.342 25.233 15.214 1.00 0.00 N ATOM 418 CA LYS A 27 28.758 25.512 15.049 1.00 0.00 C ATOM 419 C LYS A 27 29.162 26.485 13.943 1.00 0.00 C ATOM 420 O LYS A 27 30.047 27.329 14.114 1.00 0.00 O ATOM 421 CB LYS A 27 29.556 24.214 15.029 1.00 0.00 C ATOM 422 CG LYS A 27 29.826 23.833 16.490 1.00 0.00 C ATOM 423 CD LYS A 27 30.677 22.565 16.617 1.00 0.00 C ATOM 424 CE LYS A 27 29.895 21.254 16.499 1.00 0.00 C ATOM 425 NZ LYS A 27 30.794 20.106 16.695 1.00 0.00 N ATOM 0 H LYS A 27 27.168 24.232 15.305 1.00 0.00 H new ATOM 0 HA LYS A 27 29.023 26.090 15.934 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.999 23.426 14.521 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.491 24.344 14.485 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.333 24.659 16.990 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.877 23.683 17.005 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.448 22.583 15.847 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.188 22.582 17.580 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.097 21.231 17.241 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.422 21.191 15.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.248 19.294 17.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.240 19.856 15.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.530 20.355 17.386 1.00 0.00 H new ATOM 439 N ALA A 28 28.416 26.451 12.846 1.00 0.00 N ATOM 440 CA ALA A 28 28.642 27.347 11.731 1.00 0.00 C ATOM 441 C ALA A 28 28.144 28.774 12.006 1.00 0.00 C ATOM 442 O ALA A 28 28.633 29.772 11.503 1.00 0.00 O ATOM 443 CB ALA A 28 27.930 26.805 10.498 1.00 0.00 C ATOM 0 H ALA A 28 27.641 25.802 12.709 1.00 0.00 H new ATOM 0 HA ALA A 28 29.719 27.399 11.572 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.098 27.477 9.656 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.321 25.817 10.257 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.861 26.733 10.697 1.00 0.00 H new ATOM 449 N LYS A 29 27.131 28.921 12.855 1.00 0.00 N ATOM 450 CA LYS A 29 26.647 30.196 13.340 1.00 0.00 C ATOM 451 C LYS A 29 27.510 30.765 14.469 1.00 0.00 C ATOM 452 O LYS A 29 27.834 31.950 14.395 1.00 0.00 O ATOM 453 CB LYS A 29 25.195 29.931 13.743 1.00 0.00 C ATOM 454 CG LYS A 29 24.163 29.795 12.625 1.00 0.00 C ATOM 455 CD LYS A 29 22.826 29.342 13.238 1.00 0.00 C ATOM 456 CE LYS A 29 21.675 29.380 12.230 1.00 0.00 C ATOM 457 NZ LYS A 29 21.570 28.279 11.263 1.00 0.00 N ATOM 0 H LYS A 29 26.613 28.127 13.232 1.00 0.00 H new ATOM 0 HA LYS A 29 26.705 30.975 12.580 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.172 29.015 14.334 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.875 30.741 14.398 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.038 30.747 12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.503 29.072 11.883 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.932 28.328 13.625 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.583 29.983 14.086 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.741 29.423 12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.753 30.311 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.169 28.636 10.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.515 27.884 11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.952 27.537 11.648 1.00 0.00 H new ATOM 471 N ILE A 30 27.926 29.987 15.465 1.00 0.00 N ATOM 472 CA ILE A 30 28.900 30.372 16.471 1.00 0.00 C ATOM 473 C ILE A 30 30.142 30.992 15.831 1.00 0.00 C ATOM 474 O ILE A 30 30.652 31.986 16.347 1.00 0.00 O ATOM 475 CB ILE A 30 29.243 29.290 17.504 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.937 28.898 18.182 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.150 29.842 18.607 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.978 27.529 18.855 1.00 0.00 C ATOM 0 H ILE A 30 27.578 29.037 15.594 1.00 0.00 H new ATOM 0 HA ILE A 30 28.404 31.139 17.066 1.00 0.00 H new ATOM 0 HB ILE A 30 29.743 28.463 17.000 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.686 29.652 18.928 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.138 28.904 17.441 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.375 29.051 19.323 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.078 30.207 18.166 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.644 30.661 19.118 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.012 27.321 19.315 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.197 26.764 18.110 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.754 27.523 19.621 1.00 0.00 H new ATOM 490 N GLN A 31 30.690 30.318 14.821 1.00 0.00 N ATOM 491 CA GLN A 31 31.692 30.852 13.922 1.00 0.00 C ATOM 492 C GLN A 31 31.283 32.156 13.229 1.00 0.00 C ATOM 493 O GLN A 31 32.067 33.098 13.280 1.00 0.00 O ATOM 494 CB GLN A 31 32.013 29.727 12.940 1.00 0.00 C ATOM 495 CG GLN A 31 33.194 30.058 12.037 1.00 0.00 C ATOM 496 CD GLN A 31 33.410 28.991 10.974 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.756 27.962 11.066 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.168 29.267 9.913 1.00 0.00 N ATOM 0 H GLN A 31 30.435 29.354 14.605 1.00 0.00 H new ATOM 0 HA GLN A 31 32.577 31.153 14.483 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.230 28.815 13.496 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.136 29.525 12.325 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.025 31.021 11.556 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.096 30.157 12.641 1.00 0.00 H new ATOM 0 HE21 GLN A 31 34.698 30.138 9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.218 28.607 9.137 1.00 0.00 H new ATOM 507 N ASP A 32 30.155 32.291 12.537 1.00 0.00 N ATOM 508 CA ASP A 32 29.863 33.510 11.815 1.00 0.00 C ATOM 509 C ASP A 32 29.823 34.686 12.788 1.00 0.00 C ATOM 510 O ASP A 32 30.219 35.798 12.448 1.00 0.00 O ATOM 511 CB ASP A 32 28.554 33.358 11.038 1.00 0.00 C ATOM 512 CG ASP A 32 27.811 34.567 10.488 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.379 35.352 9.698 1.00 0.00 O ATOM 514 OD2 ASP A 32 26.621 34.654 10.855 1.00 0.00 O ATOM 0 H ASP A 32 29.436 31.571 12.465 1.00 0.00 H new ATOM 0 HA ASP A 32 30.650 33.709 11.088 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.762 32.702 10.192 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.859 32.828 11.689 1.00 0.00 H new ATOM 519 N LYS A 33 29.215 34.435 13.945 1.00 0.00 N ATOM 520 CA LYS A 33 29.041 35.373 15.040 1.00 0.00 C ATOM 521 C LYS A 33 30.242 35.679 15.929 1.00 0.00 C ATOM 522 O LYS A 33 30.285 36.805 16.427 1.00 0.00 O ATOM 523 CB LYS A 33 27.885 34.923 15.934 1.00 0.00 C ATOM 524 CG LYS A 33 26.458 35.252 15.516 1.00 0.00 C ATOM 525 CD LYS A 33 26.105 34.787 14.102 1.00 0.00 C ATOM 526 CE LYS A 33 24.647 34.935 13.657 1.00 0.00 C ATOM 527 NZ LYS A 33 24.490 35.020 12.193 1.00 0.00 N ATOM 0 H LYS A 33 28.810 33.521 14.150 1.00 0.00 H new ATOM 0 HA LYS A 33 28.850 36.310 14.516 1.00 0.00 H new ATOM 0 HB2 LYS A 33 27.955 33.841 16.043 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.046 35.354 16.922 1.00 0.00 H new ATOM 0 HG2 LYS A 33 25.767 34.792 16.223 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.310 36.330 15.581 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.730 35.339 13.400 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.379 33.736 14.014 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.073 34.086 14.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.224 35.830 14.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.419 36.018 11.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.314 34.586 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.627 34.516 11.907 1.00 0.00 H new ATOM 541 N GLU A 34 31.230 34.815 16.129 1.00 0.00 N ATOM 542 CA GLU A 34 32.296 35.125 17.054 1.00 0.00 C ATOM 543 C GLU A 34 33.634 34.657 16.484 1.00 0.00 C ATOM 544 O GLU A 34 34.699 34.942 17.046 1.00 0.00 O ATOM 545 CB GLU A 34 31.973 34.751 18.501 1.00 0.00 C ATOM 546 CG GLU A 34 31.348 35.865 19.330 1.00 0.00 C ATOM 547 CD GLU A 34 32.253 37.070 19.560 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.290 36.982 20.242 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.766 38.166 19.196 1.00 0.00 O ATOM 0 H GLU A 34 31.309 33.909 15.667 1.00 0.00 H new ATOM 0 HA GLU A 34 32.399 36.206 17.148 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.295 33.898 18.497 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.891 34.426 18.990 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.437 36.201 18.835 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.054 35.458 20.298 1.00 0.00 H new ATOM 556 N GLY A 35 33.695 34.116 15.274 1.00 0.00 N ATOM 557 CA GLY A 35 34.969 34.017 14.593 1.00 0.00 C ATOM 558 C GLY A 35 35.802 32.765 14.881 1.00 0.00 C ATOM 559 O GLY A 35 36.917 32.537 14.422 1.00 0.00 O ATOM 0 H GLY A 35 32.895 33.749 14.758 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.787 34.066 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.565 34.891 14.855 1.00 0.00 H new ATOM 563 N ILE A 36 35.242 31.979 15.792 1.00 0.00 N ATOM 564 CA ILE A 36 35.950 30.878 16.431 1.00 0.00 C ATOM 565 C ILE A 36 35.919 29.699 15.460 1.00 0.00 C ATOM 566 O ILE A 36 34.863 29.535 14.861 1.00 0.00 O ATOM 567 CB ILE A 36 35.217 30.440 17.692 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.663 31.627 18.489 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.033 29.509 18.587 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.905 31.268 19.770 1.00 0.00 C ATOM 0 H ILE A 36 34.279 32.088 16.110 1.00 0.00 H new ATOM 0 HA ILE A 36 36.964 31.189 16.684 1.00 0.00 H new ATOM 0 HB ILE A 36 34.371 29.855 17.333 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.492 32.284 18.751 1.00 0.00 H new ATOM 0 HG13 ILE A 36 33.997 32.197 17.842 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.445 29.240 19.465 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.292 28.606 18.033 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.945 30.015 18.903 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.557 32.180 20.255 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.049 30.640 19.523 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.568 30.728 20.446 1.00 0.00 H new ATOM 582 N PRO A 37 36.928 28.830 15.381 1.00 0.00 N ATOM 583 CA PRO A 37 36.971 27.714 14.449 1.00 0.00 C ATOM 584 C PRO A 37 36.057 26.667 15.086 1.00 0.00 C ATOM 585 O PRO A 37 36.313 26.410 16.266 1.00 0.00 O ATOM 586 CB PRO A 37 38.425 27.263 14.385 1.00 0.00 C ATOM 587 CG PRO A 37 39.103 27.763 15.664 1.00 0.00 C ATOM 588 CD PRO A 37 38.251 28.996 15.938 1.00 0.00 C ATOM 0 HA PRO A 37 36.643 27.928 13.432 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.490 26.177 14.313 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.917 27.671 13.502 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.058 27.035 16.474 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.155 28.006 15.512 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.181 29.166 17.012 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.726 29.877 15.506 1.00 0.00 H new ATOM 596 N PRO A 38 35.107 26.008 14.429 1.00 0.00 N ATOM 597 CA PRO A 38 34.154 25.188 15.157 1.00 0.00 C ATOM 598 C PRO A 38 34.712 23.814 15.523 1.00 0.00 C ATOM 599 O PRO A 38 34.218 23.141 16.424 1.00 0.00 O ATOM 600 CB PRO A 38 32.977 24.994 14.193 1.00 0.00 C ATOM 601 CG PRO A 38 33.512 25.236 12.786 1.00 0.00 C ATOM 602 CD PRO A 38 34.740 26.103 13.034 1.00 0.00 C ATOM 0 HA PRO A 38 33.886 25.674 16.095 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.567 23.988 14.282 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.170 25.689 14.424 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.771 24.303 12.286 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.780 25.743 12.157 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.567 25.775 12.404 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.529 27.139 12.769 1.00 0.00 H new ATOM 610 N ASP A 39 35.777 23.386 14.855 1.00 0.00 N ATOM 611 CA ASP A 39 36.183 22.009 15.034 1.00 0.00 C ATOM 612 C ASP A 39 36.972 21.732 16.320 1.00 0.00 C ATOM 613 O ASP A 39 36.936 20.622 16.859 1.00 0.00 O ATOM 614 CB ASP A 39 37.098 21.702 13.848 1.00 0.00 C ATOM 615 CG ASP A 39 37.935 20.434 13.914 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.296 19.369 13.786 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.172 20.541 14.079 1.00 0.00 O ATOM 0 H ASP A 39 36.346 23.943 14.218 1.00 0.00 H new ATOM 0 HA ASP A 39 35.286 21.394 15.100 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.480 21.650 12.952 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.776 22.546 13.720 1.00 0.00 H new ATOM 622 N GLN A 40 37.560 22.799 16.825 1.00 0.00 N ATOM 623 CA GLN A 40 38.244 22.889 18.107 1.00 0.00 C ATOM 624 C GLN A 40 37.321 23.125 19.300 1.00 0.00 C ATOM 625 O GLN A 40 37.710 22.924 20.434 1.00 0.00 O ATOM 626 CB GLN A 40 39.368 23.935 18.136 1.00 0.00 C ATOM 627 CG GLN A 40 40.197 23.736 16.863 1.00 0.00 C ATOM 628 CD GLN A 40 41.640 24.182 17.046 1.00 0.00 C ATOM 629 OE1 GLN A 40 42.474 23.706 16.291 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.018 25.065 17.978 1.00 0.00 N ATOM 0 H GLN A 40 37.575 23.685 16.320 1.00 0.00 H new ATOM 0 HA GLN A 40 38.683 21.897 18.210 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.956 24.943 18.174 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.988 23.810 19.024 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.176 22.684 16.578 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.745 24.297 16.045 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.326 25.466 18.611 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.998 25.337 18.055 1.00 0.00 H new ATOM 639 N GLN A 41 36.085 23.559 19.035 1.00 0.00 N ATOM 640 CA GLN A 41 35.009 23.742 19.990 1.00 0.00 C ATOM 641 C GLN A 41 34.417 22.411 20.445 1.00 0.00 C ATOM 642 O GLN A 41 34.140 21.581 19.585 1.00 0.00 O ATOM 643 CB GLN A 41 33.900 24.568 19.333 1.00 0.00 C ATOM 644 CG GLN A 41 34.112 26.079 19.243 1.00 0.00 C ATOM 645 CD GLN A 41 32.905 26.868 18.766 1.00 0.00 C ATOM 646 OE1 GLN A 41 32.669 27.983 19.245 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.054 26.315 17.900 1.00 0.00 N ATOM 0 H GLN A 41 35.801 23.805 18.087 1.00 0.00 H new ATOM 0 HA GLN A 41 35.419 24.250 20.863 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.749 24.188 18.323 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.976 24.389 19.882 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.404 26.449 20.226 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.945 26.275 18.568 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.252 25.395 17.507 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.205 26.812 17.631 1.00 0.00 H new ATOM 656 N ARG A 42 34.267 22.176 21.742 1.00 0.00 N ATOM 657 CA ARG A 42 33.337 21.269 22.380 1.00 0.00 C ATOM 658 C ARG A 42 32.123 22.085 22.798 1.00 0.00 C ATOM 659 O ARG A 42 32.290 23.257 23.160 1.00 0.00 O ATOM 660 CB ARG A 42 34.025 20.778 23.652 1.00 0.00 C ATOM 661 CG ARG A 42 33.560 19.411 24.160 1.00 0.00 C ATOM 662 CD ARG A 42 34.226 19.048 25.492 1.00 0.00 C ATOM 663 NE ARG A 42 34.082 17.618 25.752 1.00 0.00 N ATOM 664 CZ ARG A 42 34.653 16.946 26.766 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.503 17.508 27.642 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.204 15.694 26.906 1.00 0.00 N ATOM 0 H ARG A 42 34.845 22.660 22.429 1.00 0.00 H new ATOM 0 HA ARG A 42 33.048 20.445 21.727 1.00 0.00 H new ATOM 0 HB2 ARG A 42 35.099 20.734 23.471 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.864 21.514 24.440 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.477 19.417 24.284 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.792 18.648 23.417 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.282 19.316 25.464 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.773 19.620 26.302 1.00 0.00 H new ATOM 0 HE ARG A 42 33.498 17.084 25.109 1.00 0.00 H new ATOM 0 HH11 ARG A 42 35.745 18.495 27.556 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.906 16.947 28.393 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.491 15.334 26.271 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.574 15.099 27.647 1.00 0.00 H new ATOM 680 N LEU A 43 30.899 21.575 22.759 1.00 0.00 N ATOM 681 CA LEU A 43 29.609 22.223 22.824 1.00 0.00 C ATOM 682 C LEU A 43 28.610 21.381 23.617 1.00 0.00 C ATOM 683 O LEU A 43 28.371 20.204 23.358 1.00 0.00 O ATOM 684 CB LEU A 43 29.105 22.533 21.408 1.00 0.00 C ATOM 685 CG LEU A 43 27.742 23.192 21.214 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.750 24.522 21.963 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.359 23.157 19.734 1.00 0.00 C ATOM 0 H LEU A 43 30.781 20.566 22.669 1.00 0.00 H new ATOM 0 HA LEU A 43 29.715 23.168 23.356 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.847 23.175 20.932 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.094 21.594 20.854 1.00 0.00 H new ATOM 0 HG LEU A 43 26.907 22.655 21.665 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.785 25.014 21.840 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.933 24.342 23.022 1.00 0.00 H new ATOM 0 HD13 LEU A 43 28.537 25.161 21.562 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.385 23.628 19.599 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.107 23.696 19.152 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.311 22.122 19.395 1.00 0.00 H new ATOM 699 N ILE A 44 28.156 21.887 24.754 1.00 0.00 N ATOM 700 CA ILE A 44 27.550 21.275 25.925 1.00 0.00 C ATOM 701 C ILE A 44 26.309 22.008 26.440 1.00 0.00 C ATOM 702 O ILE A 44 26.264 23.228 26.417 1.00 0.00 O ATOM 703 CB ILE A 44 28.660 20.995 26.934 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.291 22.336 27.318 1.00 0.00 C ATOM 705 CG2 ILE A 44 29.584 19.857 26.519 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.315 22.162 28.440 1.00 0.00 C ATOM 0 H ILE A 44 28.216 22.896 24.894 1.00 0.00 H new ATOM 0 HA ILE A 44 27.103 20.315 25.667 1.00 0.00 H new ATOM 0 HB ILE A 44 28.266 20.572 27.858 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.774 22.777 26.446 1.00 0.00 H new ATOM 0 HG13 ILE A 44 28.513 23.030 27.636 1.00 0.00 H new ATOM 0 HG21 ILE A 44 30.349 19.713 27.282 1.00 0.00 H new ATOM 0 HG22 ILE A 44 29.005 18.940 26.408 1.00 0.00 H new ATOM 0 HG23 ILE A 44 30.060 20.103 25.570 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.747 23.131 28.692 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.824 21.744 29.319 1.00 0.00 H new ATOM 0 HD13 ILE A 44 31.105 21.487 28.110 1.00 0.00 H new ATOM 718 N PHE A 45 25.310 21.261 26.913 1.00 0.00 N ATOM 719 CA PHE A 45 24.054 21.702 27.481 1.00 0.00 C ATOM 720 C PHE A 45 23.808 20.804 28.695 1.00 0.00 C ATOM 721 O PHE A 45 23.167 19.759 28.567 1.00 0.00 O ATOM 722 CB PHE A 45 22.956 21.543 26.425 1.00 0.00 C ATOM 723 CG PHE A 45 21.637 22.144 26.868 1.00 0.00 C ATOM 724 CD1 PHE A 45 21.513 23.529 26.961 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.492 21.402 27.205 1.00 0.00 C ATOM 726 CE1 PHE A 45 20.263 24.105 27.240 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.250 21.969 27.505 1.00 0.00 C ATOM 728 CZ PHE A 45 19.135 23.364 27.609 1.00 0.00 C ATOM 0 H PHE A 45 25.374 20.243 26.903 1.00 0.00 H new ATOM 0 HA PHE A 45 24.064 22.749 27.784 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.276 22.019 25.498 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.815 20.484 26.208 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.378 24.159 26.818 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.577 20.326 27.234 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.167 25.178 27.166 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.386 21.339 27.656 1.00 0.00 H new ATOM 0 HZ PHE A 45 18.228 23.838 27.954 1.00 0.00 H new ATOM 738 N ALA A 46 24.154 21.231 29.907 1.00 0.00 N ATOM 739 CA ALA A 46 23.667 20.683 31.162 1.00 0.00 C ATOM 740 C ALA A 46 24.415 19.369 31.419 1.00 0.00 C ATOM 741 O ALA A 46 23.904 18.537 32.164 1.00 0.00 O ATOM 742 CB ALA A 46 22.152 20.532 31.178 1.00 0.00 C ATOM 0 H ALA A 46 24.809 22.001 30.043 1.00 0.00 H new ATOM 0 HA ALA A 46 23.872 21.374 31.980 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.838 20.119 32.136 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.688 21.507 31.033 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.845 19.861 30.376 1.00 0.00 H new ATOM 748 N GLY A 47 25.585 19.164 30.816 1.00 0.00 N ATOM 749 CA GLY A 47 26.253 17.888 30.964 1.00 0.00 C ATOM 750 C GLY A 47 26.384 17.101 29.656 1.00 0.00 C ATOM 751 O GLY A 47 27.449 16.599 29.298 1.00 0.00 O ATOM 0 H GLY A 47 26.073 19.848 30.238 1.00 0.00 H new ATOM 0 HA2 GLY A 47 27.248 18.055 31.377 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.705 17.284 31.687 1.00 0.00 H new ATOM 755 N LYS A 48 25.357 17.102 28.822 1.00 0.00 N ATOM 756 CA LYS A 48 25.225 16.293 27.626 1.00 0.00 C ATOM 757 C LYS A 48 25.971 16.930 26.450 1.00 0.00 C ATOM 758 O LYS A 48 25.730 18.105 26.215 1.00 0.00 O ATOM 759 CB LYS A 48 23.732 16.407 27.338 1.00 0.00 C ATOM 760 CG LYS A 48 22.778 15.922 28.424 1.00 0.00 C ATOM 761 CD LYS A 48 21.392 15.644 27.848 1.00 0.00 C ATOM 762 CE LYS A 48 20.361 15.337 28.929 1.00 0.00 C ATOM 763 NZ LYS A 48 20.724 14.033 29.487 1.00 0.00 N ATOM 0 H LYS A 48 24.547 17.703 28.972 1.00 0.00 H new ATOM 0 HA LYS A 48 25.612 15.282 27.753 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.506 17.453 27.131 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.519 15.849 26.426 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.174 15.016 28.883 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.705 16.672 29.211 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.062 16.508 27.271 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.451 14.803 27.157 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.368 16.106 29.702 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.355 15.314 28.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.947 13.681 30.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.899 13.361 28.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.584 14.129 30.063 1.00 0.00 H new ATOM 777 N GLN A 49 26.776 16.172 25.698 1.00 0.00 N ATOM 778 CA GLN A 49 27.375 16.625 24.462 1.00 0.00 C ATOM 779 C GLN A 49 26.366 16.480 23.326 1.00 0.00 C ATOM 780 O GLN A 49 25.827 15.400 23.107 1.00 0.00 O ATOM 781 CB GLN A 49 28.611 15.788 24.127 1.00 0.00 C ATOM 782 CG GLN A 49 29.755 15.960 25.127 1.00 0.00 C ATOM 783 CD GLN A 49 30.905 14.965 25.181 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.667 14.952 26.148 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.084 14.065 24.218 1.00 0.00 N ATOM 0 H GLN A 49 27.026 15.214 25.944 1.00 0.00 H new ATOM 0 HA GLN A 49 27.667 17.668 24.581 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.328 14.736 24.089 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.965 16.059 23.132 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.191 16.943 24.947 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.309 15.986 26.121 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.465 14.056 23.407 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.840 13.384 24.291 1.00 0.00 H new ATOM 794 N LEU A 50 26.117 17.522 22.544 1.00 0.00 N ATOM 795 CA LEU A 50 25.193 17.491 21.419 1.00 0.00 C ATOM 796 C LEU A 50 26.024 16.880 20.279 1.00 0.00 C ATOM 797 O LEU A 50 27.058 17.378 19.846 1.00 0.00 O ATOM 798 CB LEU A 50 24.724 18.917 21.143 1.00 0.00 C ATOM 799 CG LEU A 50 24.084 19.574 22.365 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.707 21.035 22.070 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.876 18.817 22.925 1.00 0.00 C ATOM 0 H LEU A 50 26.561 18.431 22.677 1.00 0.00 H new ATOM 0 HA LEU A 50 24.286 16.907 21.576 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.573 19.517 20.816 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.006 18.907 20.323 1.00 0.00 H new ATOM 0 HG LEU A 50 24.848 19.542 23.142 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.253 21.480 22.956 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.603 21.595 21.801 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.997 21.068 21.244 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.482 19.350 23.790 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.104 18.747 22.159 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.182 17.815 23.225 1.00 0.00 H new ATOM 813 N GLU A 51 25.660 15.711 19.776 1.00 0.00 N ATOM 814 CA GLU A 51 26.384 15.015 18.734 1.00 0.00 C ATOM 815 C GLU A 51 26.076 15.722 17.406 1.00 0.00 C ATOM 816 O GLU A 51 24.936 15.991 17.058 1.00 0.00 O ATOM 817 CB GLU A 51 25.869 13.584 18.602 1.00 0.00 C ATOM 818 CG GLU A 51 26.897 12.623 18.010 1.00 0.00 C ATOM 819 CD GLU A 51 27.965 12.073 18.939 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.652 11.494 20.001 1.00 0.00 O ATOM 821 OE2 GLU A 51 29.153 12.136 18.544 1.00 0.00 O ATOM 0 H GLU A 51 24.830 15.210 20.093 1.00 0.00 H new ATOM 0 HA GLU A 51 27.448 15.011 18.971 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.568 13.222 19.585 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.978 13.583 17.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.358 11.778 17.581 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.398 13.133 17.187 1.00 0.00 H new ATOM 828 N ASP A 52 27.130 15.926 16.618 1.00 0.00 N ATOM 829 CA ASP A 52 27.137 16.535 15.302 1.00 0.00 C ATOM 830 C ASP A 52 26.225 15.782 14.325 1.00 0.00 C ATOM 831 O ASP A 52 26.467 14.625 13.988 1.00 0.00 O ATOM 832 CB ASP A 52 28.527 16.660 14.688 1.00 0.00 C ATOM 833 CG ASP A 52 29.629 17.435 15.394 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.457 17.852 16.560 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.610 17.835 14.732 1.00 0.00 O ATOM 0 H ASP A 52 28.067 15.647 16.910 1.00 0.00 H new ATOM 0 HA ASP A 52 26.757 17.544 15.463 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.899 15.647 14.531 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.402 17.109 13.703 1.00 0.00 H new ATOM 840 N GLY A 53 25.236 16.500 13.810 1.00 0.00 N ATOM 841 CA GLY A 53 24.295 16.197 12.748 1.00 0.00 C ATOM 842 C GLY A 53 22.888 15.853 13.225 1.00 0.00 C ATOM 843 O GLY A 53 22.078 15.572 12.339 1.00 0.00 O ATOM 0 H GLY A 53 25.055 17.433 14.180 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.237 17.053 12.076 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.682 15.361 12.166 1.00 0.00 H new ATOM 847 N ARG A 54 22.603 15.983 14.515 1.00 0.00 N ATOM 848 CA ARG A 54 21.269 15.901 15.065 1.00 0.00 C ATOM 849 C ARG A 54 20.578 17.276 15.006 1.00 0.00 C ATOM 850 O ARG A 54 21.274 18.295 14.999 1.00 0.00 O ATOM 851 CB ARG A 54 21.382 15.435 16.517 1.00 0.00 C ATOM 852 CG ARG A 54 21.700 13.945 16.624 1.00 0.00 C ATOM 853 CD ARG A 54 20.567 12.931 16.393 1.00 0.00 C ATOM 854 NE ARG A 54 20.024 12.352 17.622 1.00 0.00 N ATOM 855 CZ ARG A 54 20.662 11.515 18.449 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.807 10.895 18.137 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.140 11.246 19.656 1.00 0.00 N ATOM 0 H ARG A 54 23.319 16.153 15.222 1.00 0.00 H new ATOM 0 HA ARG A 54 20.671 15.197 14.486 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.161 16.008 17.021 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.447 15.643 17.037 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.493 13.724 15.909 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.108 13.764 17.619 1.00 0.00 H new ATOM 0 HD2 ARG A 54 19.761 13.421 15.848 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.938 12.126 15.758 1.00 0.00 H new ATOM 0 HE ARG A 54 19.070 12.610 17.872 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.239 11.050 17.226 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.247 10.267 18.810 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.261 11.679 19.939 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.622 10.609 20.290 1.00 0.00 H new ATOM 871 N THR A 55 19.256 17.213 14.964 1.00 0.00 N ATOM 872 CA THR A 55 18.364 18.346 15.081 1.00 0.00 C ATOM 873 C THR A 55 18.170 18.889 16.499 1.00 0.00 C ATOM 874 O THR A 55 18.218 18.116 17.455 1.00 0.00 O ATOM 875 CB THR A 55 16.976 18.008 14.534 1.00 0.00 C ATOM 876 OG1 THR A 55 16.236 16.968 15.150 1.00 0.00 O ATOM 877 CG2 THR A 55 17.049 17.682 13.047 1.00 0.00 C ATOM 0 H THR A 55 18.759 16.331 14.842 1.00 0.00 H new ATOM 0 HA THR A 55 18.862 19.121 14.499 1.00 0.00 H new ATOM 0 HB THR A 55 16.431 18.923 14.765 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.373 16.868 14.697 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.052 17.444 12.677 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.442 18.542 12.505 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.706 16.826 12.894 1.00 0.00 H new ATOM 885 N LEU A 56 18.007 20.201 16.697 1.00 0.00 N ATOM 886 CA LEU A 56 17.667 20.880 17.930 1.00 0.00 C ATOM 887 C LEU A 56 16.325 20.417 18.502 1.00 0.00 C ATOM 888 O LEU A 56 16.160 20.273 19.709 1.00 0.00 O ATOM 889 CB LEU A 56 17.532 22.389 17.702 1.00 0.00 C ATOM 890 CG LEU A 56 18.884 23.087 17.518 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.726 24.602 17.499 1.00 0.00 C ATOM 892 CD2 LEU A 56 19.889 22.841 18.647 1.00 0.00 C ATOM 0 H LEU A 56 18.121 20.861 15.928 1.00 0.00 H new ATOM 0 HA LEU A 56 18.475 20.644 18.623 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.915 22.565 16.821 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.011 22.834 18.550 1.00 0.00 H new ATOM 0 HG LEU A 56 19.250 22.667 16.581 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.702 25.068 17.367 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.073 24.889 16.675 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.290 24.934 18.441 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.816 23.373 18.432 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.474 23.201 19.588 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.094 21.773 18.726 1.00 0.00 H new ATOM 904 N SER A 57 15.431 20.014 17.604 1.00 0.00 N ATOM 905 CA SER A 57 14.167 19.320 17.718 1.00 0.00 C ATOM 906 C SER A 57 14.330 18.044 18.536 1.00 0.00 C ATOM 907 O SER A 57 13.627 17.852 19.524 1.00 0.00 O ATOM 908 CB SER A 57 13.591 19.137 16.305 1.00 0.00 C ATOM 909 OG SER A 57 12.332 18.524 16.441 1.00 0.00 O ATOM 0 H SER A 57 15.619 20.204 16.620 1.00 0.00 H new ATOM 0 HA SER A 57 13.432 19.898 18.278 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.497 20.099 15.801 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.254 18.522 15.697 1.00 0.00 H new ATOM 0 HG SER A 57 11.934 18.394 15.555 1.00 0.00 H new ATOM 915 N ASP A 58 15.186 17.114 18.118 1.00 0.00 N ATOM 916 CA ASP A 58 15.637 15.931 18.838 1.00 0.00 C ATOM 917 C ASP A 58 16.162 16.092 20.265 1.00 0.00 C ATOM 918 O ASP A 58 15.708 15.331 21.108 1.00 0.00 O ATOM 919 CB ASP A 58 16.638 15.203 17.936 1.00 0.00 C ATOM 920 CG ASP A 58 16.672 13.719 18.254 1.00 0.00 C ATOM 921 OD1 ASP A 58 15.651 12.998 18.182 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.766 13.247 18.634 1.00 0.00 O ATOM 0 H ASP A 58 15.614 17.176 17.194 1.00 0.00 H new ATOM 0 HA ASP A 58 14.735 15.351 19.035 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.365 15.349 16.891 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.632 15.631 18.069 1.00 0.00 H new ATOM 927 N TYR A 59 16.957 17.121 20.551 1.00 0.00 N ATOM 928 CA TYR A 59 17.469 17.292 21.896 1.00 0.00 C ATOM 929 C TYR A 59 16.482 18.121 22.731 1.00 0.00 C ATOM 930 O TYR A 59 16.699 18.283 23.924 1.00 0.00 O ATOM 931 CB TYR A 59 18.781 18.058 21.779 1.00 0.00 C ATOM 932 CG TYR A 59 19.914 17.189 21.291 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.355 16.174 22.144 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.503 17.411 20.040 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.377 15.310 21.744 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.588 16.579 19.708 1.00 0.00 C ATOM 937 CZ TYR A 59 22.023 15.534 20.530 1.00 0.00 C ATOM 938 OH TYR A 59 23.008 14.699 20.097 1.00 0.00 O ATOM 0 H TYR A 59 17.252 17.831 19.881 1.00 0.00 H new ATOM 0 HA TYR A 59 17.610 16.325 22.378 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.649 18.896 21.095 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.041 18.478 22.751 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.903 16.057 23.118 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.145 18.177 19.368 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.663 14.477 22.369 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.108 16.755 18.778 1.00 0.00 H new ATOM 0 HH TYR A 59 22.619 13.834 19.849 1.00 0.00 H new ATOM 948 N ASN A 60 15.370 18.555 22.148 1.00 0.00 N ATOM 949 CA ASN A 60 14.334 19.417 22.676 1.00 0.00 C ATOM 950 C ASN A 60 14.792 20.831 23.053 1.00 0.00 C ATOM 951 O ASN A 60 14.320 21.338 24.068 1.00 0.00 O ATOM 952 CB ASN A 60 13.528 18.708 23.774 1.00 0.00 C ATOM 953 CG ASN A 60 12.704 17.551 23.242 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.980 16.387 23.531 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.603 17.777 22.545 1.00 0.00 N ATOM 0 H ASN A 60 15.155 18.278 21.190 1.00 0.00 H new ATOM 0 HA ASN A 60 13.653 19.605 21.846 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.211 18.340 24.540 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.867 19.428 24.256 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.009 16.997 22.262 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.348 18.731 22.290 1.00 0.00 H new ATOM 962 N ILE A 61 15.664 21.468 22.293 1.00 0.00 N ATOM 963 CA ILE A 61 16.241 22.726 22.741 1.00 0.00 C ATOM 964 C ILE A 61 15.267 23.823 22.325 1.00 0.00 C ATOM 965 O ILE A 61 14.853 23.933 21.176 1.00 0.00 O ATOM 966 CB ILE A 61 17.637 22.931 22.139 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.546 21.723 22.355 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.228 24.259 22.620 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.046 21.713 23.796 1.00 0.00 C ATOM 0 H ILE A 61 15.985 21.145 21.380 1.00 0.00 H new ATOM 0 HA ILE A 61 16.380 22.739 23.822 1.00 0.00 H new ATOM 0 HB ILE A 61 17.546 23.004 21.055 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.002 20.803 22.141 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.390 21.762 21.666 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.219 24.394 22.187 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.581 25.079 22.309 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.306 24.250 23.707 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.695 20.851 23.950 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.605 22.628 23.993 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.196 21.653 24.476 1.00 0.00 H new ATOM 981 N GLN A 62 14.844 24.532 23.379 1.00 0.00 N ATOM 982 CA GLN A 62 13.856 25.584 23.303 1.00 0.00 C ATOM 983 C GLN A 62 14.427 26.997 23.380 1.00 0.00 C ATOM 984 O GLN A 62 15.630 27.204 23.533 1.00 0.00 O ATOM 985 CB GLN A 62 12.950 25.530 24.533 1.00 0.00 C ATOM 986 CG GLN A 62 12.192 24.215 24.759 1.00 0.00 C ATOM 987 CD GLN A 62 11.218 23.892 23.633 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.670 23.394 22.606 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.938 24.025 23.981 1.00 0.00 N ATOM 0 H GLN A 62 15.195 24.377 24.324 1.00 0.00 H new ATOM 0 HA GLN A 62 13.365 25.412 22.345 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.558 25.731 25.415 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.221 26.337 24.457 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.909 23.400 24.857 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.645 24.274 25.700 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.694 24.461 24.870 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.203 23.691 23.358 1.00 0.00 H new ATOM 998 N LYS A 63 13.575 27.968 23.086 1.00 0.00 N ATOM 999 CA LYS A 63 13.831 29.391 22.999 1.00 0.00 C ATOM 1000 C LYS A 63 14.372 29.985 24.305 1.00 0.00 C ATOM 1001 O LYS A 63 13.820 29.508 25.303 1.00 0.00 O ATOM 1002 CB LYS A 63 12.584 30.197 22.609 1.00 0.00 C ATOM 1003 CG LYS A 63 11.380 30.426 23.520 1.00 0.00 C ATOM 1004 CD LYS A 63 10.275 31.291 22.905 1.00 0.00 C ATOM 1005 CE LYS A 63 9.287 31.847 23.936 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.870 32.899 24.773 1.00 0.00 N ATOM 0 H LYS A 63 12.598 27.756 22.884 1.00 0.00 H new ATOM 0 HA LYS A 63 14.587 29.474 22.218 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.941 31.187 22.327 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.193 29.730 21.705 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.958 29.459 23.793 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.722 30.896 24.442 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.732 32.122 22.367 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.727 30.699 22.172 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.414 32.244 23.418 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.938 31.034 24.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.480 32.833 25.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.903 32.781 24.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.642 33.830 24.370 1.00 0.00 H new ATOM 1020 N GLU A 64 15.397 30.827 24.299 1.00 0.00 N ATOM 1021 CA GLU A 64 16.068 31.469 25.409 1.00 0.00 C ATOM 1022 C GLU A 64 16.814 30.544 26.377 1.00 0.00 C ATOM 1023 O GLU A 64 16.968 30.975 27.508 1.00 0.00 O ATOM 1024 CB GLU A 64 15.140 32.483 26.083 1.00 0.00 C ATOM 1025 CG GLU A 64 14.086 31.986 27.078 1.00 0.00 C ATOM 1026 CD GLU A 64 12.632 32.341 26.808 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.336 33.428 26.263 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.704 31.755 27.412 1.00 0.00 O ATOM 0 H GLU A 64 15.822 31.104 23.414 1.00 0.00 H new ATOM 0 HA GLU A 64 16.902 32.019 24.973 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.767 33.206 26.604 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.617 33.024 25.294 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.161 30.900 27.131 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.347 32.372 28.063 1.00 0.00 H new ATOM 1035 N SER A 65 17.146 29.312 25.987 1.00 0.00 N ATOM 1036 CA SER A 65 18.139 28.404 26.529 1.00 0.00 C ATOM 1037 C SER A 65 19.541 28.935 26.217 1.00 0.00 C ATOM 1038 O SER A 65 19.800 29.441 25.127 1.00 0.00 O ATOM 1039 CB SER A 65 17.998 26.964 26.025 1.00 0.00 C ATOM 1040 OG SER A 65 16.738 26.595 26.547 1.00 0.00 O ATOM 0 H SER A 65 16.667 28.886 25.194 1.00 0.00 H new ATOM 0 HA SER A 65 17.974 28.365 27.606 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.022 26.908 24.937 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.797 26.322 26.395 1.00 0.00 H new ATOM 0 HG SER A 65 16.532 25.674 26.284 1.00 0.00 H new ATOM 1046 N THR A 66 20.451 28.778 27.176 1.00 0.00 N ATOM 1047 CA THR A 66 21.844 29.147 27.000 1.00 0.00 C ATOM 1048 C THR A 66 22.562 27.806 26.891 1.00 0.00 C ATOM 1049 O THR A 66 22.354 26.945 27.738 1.00 0.00 O ATOM 1050 CB THR A 66 22.323 29.808 28.301 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.628 31.020 28.430 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.812 30.159 28.275 1.00 0.00 C ATOM 0 H THR A 66 20.238 28.391 28.095 1.00 0.00 H new ATOM 0 HA THR A 66 22.011 29.812 26.152 1.00 0.00 H new ATOM 0 HB THR A 66 22.148 29.107 29.117 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.908 31.471 29.254 1.00 0.00 H new ATOM 0 HG21 THR A 66 24.093 30.623 29.220 1.00 0.00 H new ATOM 0 HG22 THR A 66 24.397 29.251 28.128 1.00 0.00 H new ATOM 0 HG23 THR A 66 24.008 30.853 27.458 1.00 0.00 H new ATOM 1060 N LEU A 67 23.385 27.654 25.850 1.00 0.00 N ATOM 1061 CA LEU A 67 24.322 26.595 25.568 1.00 0.00 C ATOM 1062 C LEU A 67 25.693 27.084 26.026 1.00 0.00 C ATOM 1063 O LEU A 67 25.974 28.277 25.977 1.00 0.00 O ATOM 1064 CB LEU A 67 24.466 26.242 24.078 1.00 0.00 C ATOM 1065 CG LEU A 67 23.466 25.280 23.430 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.065 25.789 23.732 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.810 25.194 21.947 1.00 0.00 C ATOM 0 H LEU A 67 23.402 28.356 25.110 1.00 0.00 H new ATOM 0 HA LEU A 67 23.953 25.705 26.078 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.432 27.176 23.517 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.462 25.822 23.937 1.00 0.00 H new ATOM 0 HG LEU A 67 23.514 24.264 23.823 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.330 25.122 23.281 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.914 25.820 24.811 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.945 26.791 23.320 1.00 0.00 H new ATOM 0 HD21 LEU A 67 23.116 24.515 21.451 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.733 26.184 21.498 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.828 24.821 21.831 1.00 0.00 H new ATOM 1079 N HIS A 68 26.608 26.175 26.368 1.00 0.00 N ATOM 1080 CA HIS A 68 27.918 26.431 26.915 1.00 0.00 C ATOM 1081 C HIS A 68 29.001 25.756 26.073 1.00 0.00 C ATOM 1082 O HIS A 68 28.767 24.816 25.317 1.00 0.00 O ATOM 1083 CB HIS A 68 27.961 25.951 28.370 1.00 0.00 C ATOM 1084 CG HIS A 68 27.180 26.807 29.328 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.840 26.558 29.622 1.00 0.00 N ATOM 1086 CD2 HIS A 68 27.569 28.006 29.865 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.505 27.595 30.391 1.00 0.00 C ATOM 1088 NE2 HIS A 68 26.478 28.503 30.562 1.00 0.00 N ATOM 0 H HIS A 68 26.429 25.177 26.258 1.00 0.00 H new ATOM 0 HA HIS A 68 28.115 27.503 26.893 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.577 24.932 28.415 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.000 25.915 28.698 1.00 0.00 H new ATOM 0 HD1 HIS A 68 25.259 25.775 29.323 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.537 28.473 29.765 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.528 27.696 30.840 1.00 0.00 H new ATOM 1096 N LEU A 69 30.212 26.241 26.333 1.00 0.00 N ATOM 1097 CA LEU A 69 31.437 25.870 25.652 1.00 0.00 C ATOM 1098 C LEU A 69 32.651 25.596 26.541 1.00 0.00 C ATOM 1099 O LEU A 69 32.805 26.218 27.595 1.00 0.00 O ATOM 1100 CB LEU A 69 31.752 26.849 24.527 1.00 0.00 C ATOM 1101 CG LEU A 69 32.630 26.411 23.355 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.777 26.505 22.079 1.00 0.00 C ATOM 1103 CD2 LEU A 69 33.830 27.324 23.098 1.00 0.00 C ATOM 0 H LEU A 69 30.367 26.938 27.062 1.00 0.00 H new ATOM 0 HA LEU A 69 31.225 24.890 25.225 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.801 27.183 24.112 1.00 0.00 H new ATOM 0 HB3 LEU A 69 32.226 27.720 24.979 1.00 0.00 H new ATOM 0 HG LEU A 69 32.994 25.413 23.599 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.373 26.199 21.219 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.911 25.850 22.171 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.442 27.533 21.940 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.401 26.944 22.251 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.479 28.332 22.876 1.00 0.00 H new ATOM 0 HD23 LEU A 69 34.466 27.347 23.983 1.00 0.00 H new ATOM 1115 N VAL A 70 33.546 24.871 25.869 1.00 0.00 N ATOM 1116 CA VAL A 70 34.932 24.592 26.183 1.00 0.00 C ATOM 1117 C VAL A 70 35.629 24.369 24.845 1.00 0.00 C ATOM 1118 O VAL A 70 34.994 23.997 23.865 1.00 0.00 O ATOM 1119 CB VAL A 70 35.086 23.473 27.215 1.00 0.00 C ATOM 1120 CG1 VAL A 70 36.491 22.868 27.284 1.00 0.00 C ATOM 1121 CG2 VAL A 70 34.456 23.758 28.571 1.00 0.00 C ATOM 0 H VAL A 70 33.278 24.418 24.995 1.00 0.00 H new ATOM 0 HA VAL A 70 35.417 25.424 26.693 1.00 0.00 H new ATOM 0 HB VAL A 70 34.468 22.670 26.814 1.00 0.00 H new ATOM 0 HG11 VAL A 70 36.512 22.083 28.040 1.00 0.00 H new ATOM 0 HG12 VAL A 70 36.753 22.445 26.314 1.00 0.00 H new ATOM 0 HG13 VAL A 70 37.209 23.645 27.547 1.00 0.00 H new ATOM 0 HG21 VAL A 70 34.618 22.907 29.233 1.00 0.00 H new ATOM 0 HG22 VAL A 70 34.913 24.648 29.005 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.386 23.923 28.447 1.00 0.00 H new ATOM 1131 N LEU A 71 36.921 24.663 24.707 1.00 0.00 N ATOM 1132 CA LEU A 71 37.730 24.442 23.533 1.00 0.00 C ATOM 1133 C LEU A 71 38.709 23.278 23.737 1.00 0.00 C ATOM 1134 O LEU A 71 39.158 23.100 24.868 1.00 0.00 O ATOM 1135 CB LEU A 71 38.623 25.682 23.390 1.00 0.00 C ATOM 1136 CG LEU A 71 37.955 27.030 23.132 1.00 0.00 C ATOM 1137 CD1 LEU A 71 38.999 28.119 23.415 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.608 27.117 21.648 1.00 0.00 C ATOM 0 H LEU A 71 37.454 25.088 25.466 1.00 0.00 H new ATOM 0 HA LEU A 71 37.075 24.241 22.685 1.00 0.00 H new ATOM 0 HB2 LEU A 71 39.214 25.773 24.302 1.00 0.00 H new ATOM 0 HB3 LEU A 71 39.322 25.496 22.574 1.00 0.00 H new ATOM 0 HG LEU A 71 37.065 27.147 23.750 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.558 29.100 23.241 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.327 28.047 24.452 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.855 27.984 22.753 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.129 28.074 21.442 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.519 27.032 21.056 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.928 26.307 21.385 1.00 0.00 H new ATOM 1150 N ARG A 72 39.120 22.548 22.711 1.00 0.00 N ATOM 1151 CA ARG A 72 40.099 21.477 22.695 1.00 0.00 C ATOM 1152 C ARG A 72 41.337 21.906 23.479 1.00 0.00 C ATOM 1153 O ARG A 72 41.937 21.327 24.378 1.00 0.00 O ATOM 1154 CB ARG A 72 40.391 20.898 21.317 1.00 0.00 C ATOM 1155 CG ARG A 72 41.345 19.696 21.307 1.00 0.00 C ATOM 1156 CD ARG A 72 41.507 19.011 19.953 1.00 0.00 C ATOM 1157 NE ARG A 72 42.828 18.406 19.772 1.00 0.00 N ATOM 1158 CZ ARG A 72 43.613 18.303 18.697 1.00 0.00 C ATOM 1159 NH1 ARG A 72 43.185 18.813 17.534 1.00 0.00 N ATOM 1160 NH2 ARG A 72 44.765 17.646 18.888 1.00 0.00 N ATOM 0 H ARG A 72 38.737 22.708 21.779 1.00 0.00 H new ATOM 0 HA ARG A 72 39.659 20.620 23.205 1.00 0.00 H new ATOM 0 HB2 ARG A 72 39.449 20.599 20.858 1.00 0.00 H new ATOM 0 HB3 ARG A 72 40.814 21.684 20.692 1.00 0.00 H new ATOM 0 HG2 ARG A 72 42.326 20.027 21.649 1.00 0.00 H new ATOM 0 HG3 ARG A 72 40.987 18.961 22.028 1.00 0.00 H new ATOM 0 HD2 ARG A 72 40.743 18.240 19.848 1.00 0.00 H new ATOM 0 HD3 ARG A 72 41.336 19.740 19.161 1.00 0.00 H new ATOM 0 HE ARG A 72 43.218 17.989 20.617 1.00 0.00 H new ATOM 0 HH11 ARG A 72 42.274 19.270 17.482 1.00 0.00 H new ATOM 0 HH12 ARG A 72 43.770 18.745 16.701 1.00 0.00 H new ATOM 0 HH21 ARG A 72 44.989 17.266 19.808 1.00 0.00 H new ATOM 0 HH22 ARG A 72 45.418 17.526 18.114 1.00 0.00 H new ATOM 1174 N LEU A 73 41.846 23.083 23.093 1.00 0.00 N ATOM 1175 CA LEU A 73 42.862 23.968 23.620 1.00 0.00 C ATOM 1176 C LEU A 73 42.454 25.435 23.423 1.00 0.00 C ATOM 1177 O LEU A 73 41.814 25.764 22.425 1.00 0.00 O ATOM 1178 CB LEU A 73 44.291 23.712 23.155 1.00 0.00 C ATOM 1179 CG LEU A 73 44.595 23.665 21.658 1.00 0.00 C ATOM 1180 CD1 LEU A 73 43.825 22.716 20.743 1.00 0.00 C ATOM 1181 CD2 LEU A 73 44.592 25.046 20.999 1.00 0.00 C ATOM 0 H LEU A 73 41.471 23.498 22.240 1.00 0.00 H new ATOM 0 HA LEU A 73 42.903 23.733 24.684 1.00 0.00 H new ATOM 0 HB2 LEU A 73 44.921 24.486 23.593 1.00 0.00 H new ATOM 0 HB3 LEU A 73 44.609 22.762 23.584 1.00 0.00 H new ATOM 0 HG LEU A 73 45.590 23.225 21.729 1.00 0.00 H new ATOM 0 HD11 LEU A 73 44.182 22.828 19.719 1.00 0.00 H new ATOM 0 HD12 LEU A 73 43.980 21.688 21.071 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.762 22.953 20.784 1.00 0.00 H new ATOM 0 HD21 LEU A 73 44.815 24.943 19.937 1.00 0.00 H new ATOM 0 HD22 LEU A 73 43.611 25.505 21.121 1.00 0.00 H new ATOM 0 HD23 LEU A 73 45.348 25.675 21.469 1.00 0.00 H new ATOM 1193 N ARG A 74 42.835 26.329 24.335 1.00 0.00 N ATOM 1194 CA ARG A 74 42.835 27.772 24.181 1.00 0.00 C ATOM 1195 C ARG A 74 44.270 28.311 24.123 1.00 0.00 C ATOM 1196 O ARG A 74 44.490 29.232 23.339 1.00 0.00 O ATOM 1197 CB ARG A 74 42.118 28.387 25.383 1.00 0.00 C ATOM 1198 CG ARG A 74 41.700 29.844 25.194 1.00 0.00 C ATOM 1199 CD ARG A 74 41.230 30.739 26.337 1.00 0.00 C ATOM 1200 NE ARG A 74 40.995 32.155 26.047 1.00 0.00 N ATOM 1201 CZ ARG A 74 41.032 33.165 26.925 1.00 0.00 C ATOM 1202 NH1 ARG A 74 41.360 33.060 28.215 1.00 0.00 N ATOM 1203 NH2 ARG A 74 40.669 34.388 26.486 1.00 0.00 N ATOM 0 H ARG A 74 43.171 26.041 25.254 1.00 0.00 H new ATOM 0 HA ARG A 74 42.328 28.034 23.252 1.00 0.00 H new ATOM 0 HB2 ARG A 74 41.231 27.793 25.604 1.00 0.00 H new ATOM 0 HB3 ARG A 74 42.771 28.320 26.253 1.00 0.00 H new ATOM 0 HG2 ARG A 74 42.550 30.351 24.737 1.00 0.00 H new ATOM 0 HG3 ARG A 74 40.897 29.840 24.457 1.00 0.00 H new ATOM 0 HD2 ARG A 74 40.304 30.320 26.730 1.00 0.00 H new ATOM 0 HD3 ARG A 74 41.971 30.680 27.134 1.00 0.00 H new ATOM 0 HE ARG A 74 40.782 32.396 25.079 1.00 0.00 H new ATOM 0 HH11 ARG A 74 41.610 32.151 28.605 1.00 0.00 H new ATOM 0 HH12 ARG A 74 41.360 33.888 28.810 1.00 0.00 H new ATOM 0 HH21 ARG A 74 40.380 34.517 25.516 1.00 0.00 H new ATOM 0 HH22 ARG A 74 40.683 35.184 27.124 1.00 0.00 H new ATOM 1217 N GLY A 75 45.168 27.617 24.820 1.00 0.00 N ATOM 1218 CA GLY A 75 46.568 27.983 24.866 1.00 0.00 C ATOM 1219 C GLY A 75 46.931 28.448 26.281 1.00 0.00 C ATOM 1220 O GLY A 75 46.299 29.387 26.764 1.00 0.00 O ATOM 0 H GLY A 75 44.938 26.787 25.366 1.00 0.00 H new ATOM 0 HA2 GLY A 75 47.187 27.132 24.582 1.00 0.00 H new ATOM 0 HA3 GLY A 75 46.770 28.778 24.148 1.00 0.00 H new ATOM 1224 N GLY A 76 47.961 27.831 26.843 1.00 0.00 N ATOM 1225 CA GLY A 76 48.586 28.199 28.103 1.00 0.00 C ATOM 1226 C GLY A 76 50.072 28.442 27.865 1.00 0.00 C ATOM 1227 O GLY A 76 50.717 27.494 27.363 1.00 0.00 O ATOM 1228 OXT GLY A 76 50.579 29.539 28.181 1.00 0.00 O ATOM 0 H GLY A 76 48.404 27.021 26.410 1.00 0.00 H new ATOM 0 HA2 GLY A 76 48.118 29.096 28.508 1.00 0.00 H new ATOM 0 HA3 GLY A 76 48.447 27.407 28.838 1.00 0.00 H new TER 1232 GLY A 76