USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 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 39 HIS : no HD1:sc= -4.9! C(o=-5.3!,f=-7.5!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -0.416 K(o=-5.3,f=-8.2!) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -0.5 K(o=-0.63,f=-2.5) USER MOD Set 2.2: A 20 SER OG : rot 180:sc= -0.125 USER MOD Set 3.1: A 13 GLN : amide:sc= -0.312 K(o=-1.4,f=-4) USER MOD Set 3.2: A 16 ASN : amide:sc= -1.12 K(o=-1.4,f=-2.9) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-2.4) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= 0.917 (180deg=-1.66) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 82:sc= 1.84 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.26) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.424 USER MOD Single : A 57 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.26) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0677 USER MOD Single : A 71 SER OG : rot 82:sc= 1.23 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.97 K(o=-2,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 5 -1.629 -8.263 -14.623 1.00 10.00 N ATOM 30 CA LYS A 5 -2.215 -9.302 -13.793 1.00 10.00 C ATOM 31 C LYS A 5 -2.758 -8.645 -12.533 1.00 10.00 C ATOM 32 O LYS A 5 -2.031 -8.433 -11.567 1.00 10.00 O ATOM 33 CB LYS A 5 -1.207 -10.422 -13.512 1.00 10.00 C ATOM 34 CG LYS A 5 -1.874 -11.520 -12.671 1.00 10.00 C ATOM 35 CD LYS A 5 -1.029 -12.801 -12.665 1.00 10.00 C ATOM 36 CE LYS A 5 -1.690 -13.897 -11.814 1.00 10.00 C ATOM 37 NZ LYS A 5 -2.879 -14.489 -12.466 1.00 10.00 N ATOM 0 HA LYS A 5 -3.041 -9.790 -14.310 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -0.843 -10.840 -14.450 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -0.342 -10.021 -12.984 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -2.012 -11.167 -11.649 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -2.865 -11.736 -13.070 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -0.898 -13.159 -13.686 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -0.035 -12.583 -12.274 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -0.962 -14.683 -11.613 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -1.980 -13.477 -10.851 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -3.285 -15.221 -11.849 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -3.588 -13.747 -12.635 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -2.601 -14.915 -13.373 1.00 10.00 H new ATOM 51 N TYR A 6 -4.046 -8.316 -12.570 1.00 10.00 N ATOM 52 CA TYR A 6 -4.751 -7.765 -11.430 1.00 10.00 C ATOM 53 C TYR A 6 -4.745 -8.754 -10.262 1.00 10.00 C ATOM 54 O TYR A 6 -4.579 -9.957 -10.475 1.00 10.00 O ATOM 55 CB TYR A 6 -6.185 -7.439 -11.839 1.00 10.00 C ATOM 56 CG TYR A 6 -6.354 -6.738 -13.170 1.00 10.00 C ATOM 57 CD1 TYR A 6 -6.186 -5.349 -13.241 1.00 10.00 C ATOM 58 CD2 TYR A 6 -6.705 -7.459 -14.325 1.00 10.00 C ATOM 59 CE1 TYR A 6 -6.334 -4.678 -14.466 1.00 10.00 C ATOM 60 CE2 TYR A 6 -6.837 -6.793 -15.555 1.00 10.00 C ATOM 61 CZ TYR A 6 -6.643 -5.403 -15.627 1.00 10.00 C ATOM 62 OH TYR A 6 -6.638 -4.776 -16.837 1.00 10.00 O ATOM 0 H TYR A 6 -4.629 -8.427 -13.400 1.00 10.00 H new ATOM 0 HA TYR A 6 -4.248 -6.855 -11.104 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -6.754 -8.368 -11.866 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -6.630 -6.815 -11.064 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -5.941 -4.791 -12.349 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -6.873 -8.524 -14.267 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -6.210 -3.606 -14.514 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -7.088 -7.350 -16.446 1.00 10.00 H new ATOM 0 HH TYR A 6 -6.872 -5.418 -17.539 1.00 10.00 H new ATOM 72 N TYR A 7 -4.955 -8.252 -9.042 1.00 10.00 N ATOM 73 CA TYR A 7 -4.992 -9.060 -7.830 1.00 10.00 C ATOM 74 C TYR A 7 -6.338 -8.842 -7.138 1.00 10.00 C ATOM 75 O TYR A 7 -6.843 -7.716 -7.104 1.00 10.00 O ATOM 76 CB TYR A 7 -3.810 -8.698 -6.925 1.00 10.00 C ATOM 77 CG TYR A 7 -2.467 -8.679 -7.628 1.00 10.00 C ATOM 78 CD1 TYR A 7 -1.750 -9.873 -7.817 1.00 10.00 C ATOM 79 CD2 TYR A 7 -1.954 -7.468 -8.127 1.00 10.00 C ATOM 80 CE1 TYR A 7 -0.522 -9.856 -8.502 1.00 10.00 C ATOM 81 CE2 TYR A 7 -0.741 -7.455 -8.832 1.00 10.00 C ATOM 82 CZ TYR A 7 -0.028 -8.648 -9.027 1.00 10.00 C ATOM 83 OH TYR A 7 1.169 -8.624 -9.678 1.00 10.00 O ATOM 0 H TYR A 7 -5.106 -7.258 -8.871 1.00 10.00 H new ATOM 0 HA TYR A 7 -4.897 -10.119 -8.070 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -3.991 -7.717 -6.486 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -3.766 -9.412 -6.102 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -2.142 -10.804 -7.436 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -2.495 -6.547 -7.967 1.00 10.00 H new ATOM 0 HE1 TYR A 7 0.041 -10.769 -8.625 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -0.356 -6.526 -9.225 1.00 10.00 H new ATOM 0 HH TYR A 7 1.360 -7.711 -9.978 1.00 10.00 H new ATOM 93 N THR A 8 -6.952 -9.928 -6.661 1.00 10.00 N ATOM 94 CA THR A 8 -8.236 -9.902 -5.973 1.00 10.00 C ATOM 95 C THR A 8 -8.021 -9.334 -4.577 1.00 10.00 C ATOM 96 O THR A 8 -6.919 -9.436 -4.033 1.00 10.00 O ATOM 97 CB THR A 8 -8.808 -11.330 -5.896 1.00 10.00 C ATOM 98 OG1 THR A 8 -7.895 -12.152 -5.194 1.00 10.00 O ATOM 99 CG2 THR A 8 -9.079 -11.911 -7.290 1.00 10.00 C ATOM 0 H THR A 8 -6.559 -10.866 -6.746 1.00 10.00 H new ATOM 0 HA THR A 8 -8.947 -9.277 -6.513 1.00 10.00 H new ATOM 0 HB THR A 8 -9.762 -11.293 -5.371 1.00 10.00 H new ATOM 0 HG1 THR A 8 -8.251 -13.063 -5.138 1.00 10.00 H new ATOM 0 HG21 THR A 8 -9.482 -12.919 -7.192 1.00 10.00 H new ATOM 0 HG22 THR A 8 -9.799 -11.282 -7.813 1.00 10.00 H new ATOM 0 HG23 THR A 8 -8.149 -11.945 -7.857 1.00 10.00 H new ATOM 107 N LEU A 9 -9.075 -8.772 -3.974 1.00 10.00 N ATOM 108 CA LEU A 9 -9.000 -8.325 -2.597 1.00 10.00 C ATOM 109 C LEU A 9 -8.452 -9.450 -1.725 1.00 10.00 C ATOM 110 O LEU A 9 -7.605 -9.192 -0.888 1.00 10.00 O ATOM 111 CB LEU A 9 -10.370 -7.861 -2.089 1.00 10.00 C ATOM 112 CG LEU A 9 -10.306 -6.487 -1.392 1.00 10.00 C ATOM 113 CD1 LEU A 9 -11.704 -6.066 -0.926 1.00 10.00 C ATOM 114 CD2 LEU A 9 -9.361 -6.472 -0.181 1.00 10.00 C ATOM 0 H LEU A 9 -9.979 -8.621 -4.422 1.00 10.00 H new ATOM 0 HA LEU A 9 -8.326 -7.470 -2.543 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -11.066 -7.808 -2.926 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -10.765 -8.600 -1.392 1.00 10.00 H new ATOM 0 HG LEU A 9 -9.915 -5.787 -2.131 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -11.647 -5.094 -0.435 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -12.370 -5.999 -1.787 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -12.091 -6.805 -0.224 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -9.359 -5.478 0.267 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -9.701 -7.201 0.555 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -8.352 -6.726 -0.504 1.00 10.00 H new ATOM 126 N GLU A 10 -8.906 -10.690 -1.951 1.00 10.00 N ATOM 127 CA GLU A 10 -8.440 -11.870 -1.232 1.00 10.00 C ATOM 128 C GLU A 10 -6.925 -12.049 -1.357 1.00 10.00 C ATOM 129 O GLU A 10 -6.207 -12.093 -0.359 1.00 10.00 O ATOM 130 CB GLU A 10 -9.172 -13.117 -1.737 1.00 10.00 C ATOM 131 CG GLU A 10 -9.002 -14.294 -0.764 1.00 10.00 C ATOM 132 CD GLU A 10 -9.684 -14.056 0.580 1.00 10.00 C ATOM 133 OE1 GLU A 10 -10.884 -13.710 0.552 1.00 10.00 O ATOM 134 OE2 GLU A 10 -8.989 -14.224 1.604 1.00 10.00 O ATOM 0 H GLU A 10 -9.618 -10.898 -2.651 1.00 10.00 H new ATOM 0 HA GLU A 10 -8.665 -11.727 -0.175 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -10.232 -12.894 -1.861 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -8.788 -13.395 -2.718 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -9.411 -15.197 -1.218 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -7.939 -14.473 -0.600 1.00 10.00 H new ATOM 141 N GLU A 11 -6.428 -12.168 -2.591 1.00 10.00 N ATOM 142 CA GLU A 11 -4.997 -12.348 -2.813 1.00 10.00 C ATOM 143 C GLU A 11 -4.211 -11.231 -2.124 1.00 10.00 C ATOM 144 O GLU A 11 -3.244 -11.492 -1.414 1.00 10.00 O ATOM 145 CB GLU A 11 -4.665 -12.430 -4.313 1.00 10.00 C ATOM 146 CG GLU A 11 -4.150 -13.824 -4.698 1.00 10.00 C ATOM 147 CD GLU A 11 -5.160 -14.921 -4.374 1.00 10.00 C ATOM 148 OE1 GLU A 11 -6.234 -14.900 -5.015 1.00 10.00 O ATOM 149 OE2 GLU A 11 -4.842 -15.749 -3.489 1.00 10.00 O ATOM 0 H GLU A 11 -6.991 -12.143 -3.441 1.00 10.00 H new ATOM 0 HA GLU A 11 -4.699 -13.299 -2.371 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -5.555 -12.195 -4.897 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -3.913 -11.681 -4.562 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -3.924 -13.844 -5.764 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -3.217 -14.024 -4.170 1.00 10.00 H new ATOM 156 N ILE A 12 -4.645 -9.984 -2.301 1.00 10.00 N ATOM 157 CA ILE A 12 -4.007 -8.846 -1.654 1.00 10.00 C ATOM 158 C ILE A 12 -4.089 -9.011 -0.119 1.00 10.00 C ATOM 159 O ILE A 12 -3.095 -8.830 0.582 1.00 10.00 O ATOM 160 CB ILE A 12 -4.631 -7.542 -2.192 1.00 10.00 C ATOM 161 CG1 ILE A 12 -4.500 -7.453 -3.727 1.00 10.00 C ATOM 162 CG2 ILE A 12 -3.977 -6.297 -1.572 1.00 10.00 C ATOM 163 CD1 ILE A 12 -5.513 -6.462 -4.301 1.00 10.00 C ATOM 0 H ILE A 12 -5.440 -9.739 -2.891 1.00 10.00 H new ATOM 0 HA ILE A 12 -2.944 -8.795 -1.891 1.00 10.00 H new ATOM 0 HB ILE A 12 -5.684 -7.568 -1.913 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -3.490 -7.142 -3.993 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -4.657 -8.437 -4.168 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -4.445 -5.400 -1.977 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.108 -6.318 -0.490 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -2.913 -6.289 -1.808 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -5.403 -6.415 -5.384 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -6.523 -6.789 -4.053 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -5.337 -5.474 -3.875 1.00 10.00 H new ATOM 175 N GLN A 13 -5.248 -9.428 0.399 1.00 10.00 N ATOM 176 CA GLN A 13 -5.507 -9.737 1.802 1.00 10.00 C ATOM 177 C GLN A 13 -4.543 -10.788 2.335 1.00 10.00 C ATOM 178 O GLN A 13 -4.160 -10.706 3.493 1.00 10.00 O ATOM 179 CB GLN A 13 -6.962 -10.190 2.021 1.00 10.00 C ATOM 180 CG GLN A 13 -7.860 -9.095 2.609 1.00 10.00 C ATOM 181 CD GLN A 13 -7.900 -9.170 4.134 1.00 10.00 C ATOM 182 OE1 GLN A 13 -6.891 -9.420 4.783 1.00 10.00 O ATOM 183 NE2 GLN A 13 -9.075 -8.984 4.729 1.00 10.00 N ATOM 0 H GLN A 13 -6.074 -9.565 -0.184 1.00 10.00 H new ATOM 0 HA GLN A 13 -5.347 -8.815 2.361 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -7.379 -10.519 1.069 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -6.970 -11.052 2.688 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -7.493 -8.116 2.300 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -8.870 -9.197 2.211 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -9.903 -8.777 4.170 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -9.148 -9.048 5.744 1.00 10.00 H new ATOM 192 N LYS A 14 -4.122 -11.767 1.533 1.00 10.00 N ATOM 193 CA LYS A 14 -3.137 -12.730 2.008 1.00 10.00 C ATOM 194 C LYS A 14 -1.813 -12.058 2.412 1.00 10.00 C ATOM 195 O LYS A 14 -1.030 -12.652 3.154 1.00 10.00 O ATOM 196 CB LYS A 14 -2.936 -13.861 0.987 1.00 10.00 C ATOM 197 CG LYS A 14 -4.197 -14.729 0.873 1.00 10.00 C ATOM 198 CD LYS A 14 -3.893 -16.109 0.272 1.00 10.00 C ATOM 199 CE LYS A 14 -4.951 -17.108 0.762 1.00 10.00 C ATOM 200 NZ LYS A 14 -4.844 -18.412 0.081 1.00 10.00 N ATOM 0 H LYS A 14 -4.440 -11.910 0.575 1.00 10.00 H new ATOM 0 HA LYS A 14 -3.531 -13.182 2.918 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -2.692 -13.437 0.013 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -2.090 -14.480 1.286 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -4.642 -14.854 1.860 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -4.934 -14.218 0.253 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -3.900 -16.056 -0.817 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -2.897 -16.438 0.569 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -4.842 -17.252 1.837 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -5.945 -16.693 0.595 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -5.577 -19.054 0.443 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -4.974 -18.281 -0.943 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -3.905 -18.822 0.261 1.00 10.00 H new ATOM 214 N HIS A 15 -1.539 -10.835 1.940 1.00 10.00 N ATOM 215 CA HIS A 15 -0.293 -10.134 2.212 1.00 10.00 C ATOM 216 C HIS A 15 -0.487 -9.151 3.377 1.00 10.00 C ATOM 217 O HIS A 15 -0.615 -7.945 3.156 1.00 10.00 O ATOM 218 CB HIS A 15 0.200 -9.420 0.944 1.00 10.00 C ATOM 219 CG HIS A 15 0.591 -10.300 -0.224 1.00 10.00 C ATOM 220 ND1 HIS A 15 1.673 -10.078 -1.045 1.00 10.00 N ATOM 221 CD2 HIS A 15 -0.056 -11.411 -0.704 1.00 10.00 C ATOM 222 CE1 HIS A 15 1.686 -11.040 -1.981 1.00 10.00 C ATOM 223 NE2 HIS A 15 0.658 -11.882 -1.810 1.00 10.00 N ATOM 0 H HIS A 15 -2.186 -10.306 1.355 1.00 10.00 H new ATOM 0 HA HIS A 15 0.471 -10.854 2.505 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -0.584 -8.740 0.610 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.061 -8.807 1.212 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -0.958 -11.845 -0.299 1.00 10.00 H new ATOM 0 HE1 HIS A 15 2.424 -11.124 -2.765 1.00 10.00 H new ATOM 0 HE2 HIS A 15 0.440 -12.703 -2.374 1.00 10.00 H new ATOM 231 N ASN A 16 -0.488 -9.662 4.616 1.00 10.00 N ATOM 232 CA ASN A 16 -0.710 -8.870 5.828 1.00 10.00 C ATOM 233 C ASN A 16 -0.249 -9.614 7.083 1.00 10.00 C ATOM 234 O ASN A 16 -1.053 -9.997 7.929 1.00 10.00 O ATOM 235 CB ASN A 16 -2.183 -8.457 5.955 1.00 10.00 C ATOM 236 CG ASN A 16 -3.166 -9.626 5.976 1.00 10.00 C ATOM 237 OD1 ASN A 16 -2.792 -10.798 5.938 1.00 10.00 O ATOM 238 ND2 ASN A 16 -4.449 -9.287 5.999 1.00 10.00 N ATOM 0 H ASN A 16 -0.332 -10.652 4.804 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.106 -7.967 5.738 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.308 -7.877 6.869 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.437 -7.800 5.123 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.168 -10.010 5.985 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.716 -8.303 6.030 1.00 10.00 H new ATOM 292 N SER A 20 5.143 -9.124 3.944 1.00 10.00 N ATOM 293 CA SER A 20 4.192 -9.028 2.845 1.00 10.00 C ATOM 294 C SER A 20 3.128 -7.982 3.192 1.00 10.00 C ATOM 295 O SER A 20 2.310 -8.219 4.083 1.00 10.00 O ATOM 296 CB SER A 20 3.581 -10.403 2.534 1.00 10.00 C ATOM 297 OG SER A 20 3.433 -10.547 1.137 1.00 10.00 O ATOM 0 HA SER A 20 4.703 -8.704 1.938 1.00 10.00 H new ATOM 0 HB2 SER A 20 4.220 -11.194 2.926 1.00 10.00 H new ATOM 0 HB3 SER A 20 2.613 -10.502 3.025 1.00 10.00 H new ATOM 0 HG SER A 20 3.044 -11.424 0.938 1.00 10.00 H new ATOM 303 N THR A 21 3.193 -6.823 2.533 1.00 10.00 N ATOM 304 CA THR A 21 2.363 -5.670 2.824 1.00 10.00 C ATOM 305 C THR A 21 1.938 -5.056 1.499 1.00 10.00 C ATOM 306 O THR A 21 2.627 -4.206 0.928 1.00 10.00 O ATOM 307 CB THR A 21 3.101 -4.692 3.752 1.00 10.00 C ATOM 308 OG1 THR A 21 3.101 -5.213 5.070 1.00 10.00 O ATOM 309 CG2 THR A 21 2.466 -3.295 3.778 1.00 10.00 C ATOM 0 H THR A 21 3.844 -6.664 1.764 1.00 10.00 H new ATOM 0 HA THR A 21 1.463 -5.955 3.369 1.00 10.00 H new ATOM 0 HB THR A 21 4.114 -4.586 3.363 1.00 10.00 H new ATOM 0 HG1 THR A 21 3.427 -4.529 5.692 1.00 10.00 H new ATOM 0 HG21 THR A 21 3.032 -2.651 4.451 1.00 10.00 H new ATOM 0 HG22 THR A 21 2.478 -2.871 2.774 1.00 10.00 H new ATOM 0 HG23 THR A 21 1.436 -3.370 4.128 1.00 10.00 H new ATOM 317 N TRP A 22 0.796 -5.537 1.010 1.00 10.00 N ATOM 318 CA TRP A 22 0.106 -5.001 -0.143 1.00 10.00 C ATOM 319 C TRP A 22 -1.165 -4.332 0.343 1.00 10.00 C ATOM 320 O TRP A 22 -1.512 -4.437 1.516 1.00 10.00 O ATOM 321 CB TRP A 22 -0.253 -6.143 -1.082 1.00 10.00 C ATOM 322 CG TRP A 22 0.867 -6.782 -1.830 1.00 10.00 C ATOM 323 CD1 TRP A 22 2.193 -6.637 -1.618 1.00 10.00 C ATOM 324 CD2 TRP A 22 0.743 -7.648 -2.984 1.00 10.00 C ATOM 325 NE1 TRP A 22 2.894 -7.321 -2.585 1.00 10.00 N ATOM 326 CE2 TRP A 22 2.046 -7.961 -3.467 1.00 10.00 C ATOM 327 CE3 TRP A 22 -0.356 -8.191 -3.674 1.00 10.00 C ATOM 328 CZ2 TRP A 22 2.244 -8.756 -4.604 1.00 10.00 C ATOM 329 CZ3 TRP A 22 -0.171 -9.033 -4.778 1.00 10.00 C ATOM 330 CH2 TRP A 22 1.124 -9.290 -5.266 1.00 10.00 C ATOM 0 H TRP A 22 0.317 -6.336 1.425 1.00 10.00 H new ATOM 0 HA TRP A 22 0.736 -4.284 -0.670 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -0.755 -6.915 -0.499 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -0.976 -5.770 -1.808 1.00 10.00 H new ATOM 0 HD1 TRP A 22 2.636 -6.070 -0.812 1.00 10.00 H new ATOM 0 HE1 TRP A 22 3.912 -7.351 -2.643 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -1.358 -7.955 -3.347 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 3.242 -8.956 -4.966 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -1.026 -9.487 -5.257 1.00 10.00 H new ATOM 0 HH2 TRP A 22 1.258 -9.897 -6.149 1.00 10.00 H new ATOM 341 N LEU A 23 -1.859 -3.642 -0.556 1.00 10.00 N ATOM 342 CA LEU A 23 -3.017 -2.835 -0.241 1.00 10.00 C ATOM 343 C LEU A 23 -3.529 -2.235 -1.541 1.00 10.00 C ATOM 344 O LEU A 23 -2.871 -2.379 -2.571 1.00 10.00 O ATOM 345 CB LEU A 23 -2.701 -1.777 0.830 1.00 10.00 C ATOM 346 CG LEU A 23 -1.335 -1.088 0.657 1.00 10.00 C ATOM 347 CD1 LEU A 23 -1.445 0.158 -0.209 1.00 10.00 C ATOM 348 CD2 LEU A 23 -0.802 -0.700 2.034 1.00 10.00 C ATOM 0 H LEU A 23 -1.620 -3.633 -1.548 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.802 -3.450 0.200 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -3.482 -1.017 0.815 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.735 -2.249 1.812 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.657 -1.783 0.162 1.00 10.00 H new ATOM 0 HD11 LEU A 23 -0.462 0.619 -0.310 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -1.820 -0.116 -1.195 1.00 10.00 H new ATOM 0 HD13 LEU A 23 -2.131 0.865 0.257 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.166 -0.211 1.925 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -1.502 -0.017 2.516 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.689 -1.595 2.646 1.00 10.00 H new ATOM 360 N ILE A 24 -4.698 -1.593 -1.483 1.00 10.00 N ATOM 361 CA ILE A 24 -5.411 -1.045 -2.624 1.00 10.00 C ATOM 362 C ILE A 24 -5.621 0.431 -2.319 1.00 10.00 C ATOM 363 O ILE A 24 -6.218 0.758 -1.291 1.00 10.00 O ATOM 364 CB ILE A 24 -6.760 -1.758 -2.827 1.00 10.00 C ATOM 365 CG1 ILE A 24 -6.557 -3.257 -3.088 1.00 10.00 C ATOM 366 CG2 ILE A 24 -7.518 -1.153 -4.023 1.00 10.00 C ATOM 367 CD1 ILE A 24 -7.813 -4.046 -2.706 1.00 10.00 C ATOM 0 H ILE A 24 -5.188 -1.438 -0.602 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.846 -1.185 -3.546 1.00 10.00 H new ATOM 0 HB ILE A 24 -7.339 -1.623 -1.913 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -6.325 -3.420 -4.140 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.705 -3.619 -2.513 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.469 -1.670 -4.150 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -7.702 -0.095 -3.839 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.920 -1.265 -4.927 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -7.649 -5.106 -2.898 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.028 -3.898 -1.648 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -8.657 -3.696 -3.300 1.00 10.00 H new ATOM 379 N LEU A 25 -5.104 1.293 -3.194 1.00 10.00 N ATOM 380 CA LEU A 25 -5.240 2.739 -3.132 1.00 10.00 C ATOM 381 C LEU A 25 -5.917 3.157 -4.434 1.00 10.00 C ATOM 382 O LEU A 25 -5.255 3.263 -5.460 1.00 10.00 O ATOM 383 CB LEU A 25 -3.841 3.377 -3.012 1.00 10.00 C ATOM 384 CG LEU A 25 -3.213 3.618 -1.637 1.00 10.00 C ATOM 385 CD1 LEU A 25 -3.785 2.677 -0.598 1.00 10.00 C ATOM 386 CD2 LEU A 25 -1.679 3.529 -1.729 1.00 10.00 C ATOM 0 H LEU A 25 -4.557 0.985 -3.998 1.00 10.00 H new ATOM 0 HA LEU A 25 -5.826 3.062 -2.271 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -3.151 2.748 -3.575 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -3.882 4.340 -3.520 1.00 10.00 H new ATOM 0 HG LEU A 25 -3.464 4.627 -1.309 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -3.318 2.874 0.367 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -4.861 2.832 -0.519 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -3.588 1.646 -0.893 1.00 10.00 H new ATOM 0 HD21 LEU A 25 -1.245 3.702 -0.744 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.393 2.539 -2.083 1.00 10.00 H new ATOM 0 HD23 LEU A 25 -1.312 4.283 -2.425 1.00 10.00 H new ATOM 398 N HIS A 26 -7.237 3.361 -4.410 1.00 10.00 N ATOM 399 CA HIS A 26 -8.019 3.753 -5.585 1.00 10.00 C ATOM 400 C HIS A 26 -7.943 2.683 -6.672 1.00 10.00 C ATOM 401 O HIS A 26 -7.551 2.956 -7.805 1.00 10.00 O ATOM 402 CB HIS A 26 -7.596 5.119 -6.152 1.00 10.00 C ATOM 403 CG HIS A 26 -7.545 6.218 -5.135 1.00 10.00 C ATOM 404 ND1 HIS A 26 -8.595 7.016 -4.745 1.00 10.00 N ATOM 405 CD2 HIS A 26 -6.446 6.574 -4.404 1.00 10.00 C ATOM 406 CE1 HIS A 26 -8.134 7.837 -3.788 1.00 10.00 C ATOM 407 NE2 HIS A 26 -6.836 7.591 -3.537 1.00 10.00 N ATOM 0 H HIS A 26 -7.799 3.257 -3.565 1.00 10.00 H new ATOM 0 HA HIS A 26 -9.052 3.850 -5.250 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -6.613 5.020 -6.613 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -8.291 5.403 -6.942 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -9.546 6.989 -5.114 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -5.458 6.145 -4.484 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -8.724 8.591 -3.289 1.00 10.00 H new ATOM 415 N TYR A 27 -8.331 1.457 -6.320 1.00 10.00 N ATOM 416 CA TYR A 27 -8.427 0.343 -7.255 1.00 10.00 C ATOM 417 C TYR A 27 -7.065 -0.024 -7.861 1.00 10.00 C ATOM 418 O TYR A 27 -7.006 -0.634 -8.929 1.00 10.00 O ATOM 419 CB TYR A 27 -9.480 0.651 -8.336 1.00 10.00 C ATOM 420 CG TYR A 27 -10.800 1.195 -7.811 1.00 10.00 C ATOM 421 CD1 TYR A 27 -11.450 0.557 -6.738 1.00 10.00 C ATOM 422 CD2 TYR A 27 -11.367 2.356 -8.370 1.00 10.00 C ATOM 423 CE1 TYR A 27 -12.679 1.037 -6.262 1.00 10.00 C ATOM 424 CE2 TYR A 27 -12.585 2.855 -7.874 1.00 10.00 C ATOM 425 CZ TYR A 27 -13.247 2.189 -6.829 1.00 10.00 C ATOM 426 OH TYR A 27 -14.420 2.683 -6.345 1.00 10.00 O ATOM 0 H TYR A 27 -8.590 1.210 -5.365 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.754 -0.538 -6.702 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -9.060 1.373 -9.036 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.678 -0.261 -8.899 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.999 -0.309 -6.277 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -10.866 2.864 -9.181 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -13.187 0.521 -5.461 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -13.012 3.752 -8.297 1.00 10.00 H new ATOM 0 HH TYR A 27 -14.671 3.484 -6.850 1.00 10.00 H new ATOM 436 N LYS A 28 -5.970 0.325 -7.178 1.00 10.00 N ATOM 437 CA LYS A 28 -4.608 0.113 -7.641 1.00 10.00 C ATOM 438 C LYS A 28 -3.789 -0.514 -6.523 1.00 10.00 C ATOM 439 O LYS A 28 -3.845 -0.031 -5.393 1.00 10.00 O ATOM 440 CB LYS A 28 -4.008 1.442 -8.101 1.00 10.00 C ATOM 441 CG LYS A 28 -4.642 1.870 -9.421 1.00 10.00 C ATOM 442 CD LYS A 28 -4.047 3.198 -9.897 1.00 10.00 C ATOM 443 CE LYS A 28 -4.424 3.487 -11.356 1.00 10.00 C ATOM 444 NZ LYS A 28 -4.058 2.378 -12.261 1.00 10.00 N ATOM 0 H LYS A 28 -6.015 0.775 -6.264 1.00 10.00 H new ATOM 0 HA LYS A 28 -4.601 -0.568 -8.492 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -4.174 2.207 -7.343 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.929 1.341 -8.222 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -4.479 1.101 -10.176 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -5.720 1.972 -9.297 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.403 4.008 -9.260 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -2.962 3.169 -9.799 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -5.497 3.668 -11.422 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -3.926 4.400 -11.684 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -3.652 2.764 -13.137 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -3.358 1.766 -11.795 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -4.907 1.822 -12.489 1.00 10.00 H new ATOM 458 N VAL A 29 -3.071 -1.598 -6.837 1.00 10.00 N ATOM 459 CA VAL A 29 -2.289 -2.360 -5.879 1.00 10.00 C ATOM 460 C VAL A 29 -0.841 -1.874 -5.873 1.00 10.00 C ATOM 461 O VAL A 29 -0.224 -1.697 -6.929 1.00 10.00 O ATOM 462 CB VAL A 29 -2.367 -3.867 -6.166 1.00 10.00 C ATOM 463 CG1 VAL A 29 -1.918 -4.668 -4.938 1.00 10.00 C ATOM 464 CG2 VAL A 29 -3.790 -4.297 -6.510 1.00 10.00 C ATOM 0 H VAL A 29 -3.022 -1.971 -7.785 1.00 10.00 H new ATOM 0 HA VAL A 29 -2.711 -2.197 -4.887 1.00 10.00 H new ATOM 0 HB VAL A 29 -1.711 -4.064 -7.014 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -1.979 -5.734 -5.157 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -0.889 -4.407 -4.689 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -2.566 -4.433 -4.094 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -3.809 -5.369 -6.707 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -4.451 -4.071 -5.673 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -4.129 -3.759 -7.396 1.00 10.00 H new ATOM 474 N TYR A 30 -0.312 -1.675 -4.666 1.00 10.00 N ATOM 475 CA TYR A 30 1.013 -1.143 -4.414 1.00 10.00 C ATOM 476 C TYR A 30 1.734 -2.101 -3.474 1.00 10.00 C ATOM 477 O TYR A 30 1.300 -2.267 -2.334 1.00 10.00 O ATOM 478 CB TYR A 30 0.851 0.244 -3.783 1.00 10.00 C ATOM 479 CG TYR A 30 0.250 1.253 -4.742 1.00 10.00 C ATOM 480 CD1 TYR A 30 1.053 1.890 -5.705 1.00 10.00 C ATOM 481 CD2 TYR A 30 -1.142 1.440 -4.773 1.00 10.00 C ATOM 482 CE1 TYR A 30 0.473 2.785 -6.623 1.00 10.00 C ATOM 483 CE2 TYR A 30 -1.714 2.330 -5.698 1.00 10.00 C ATOM 484 CZ TYR A 30 -0.903 3.042 -6.586 1.00 10.00 C ATOM 485 OH TYR A 30 -1.446 3.989 -7.403 1.00 10.00 O ATOM 0 H TYR A 30 -0.820 -1.891 -3.808 1.00 10.00 H new ATOM 0 HA TYR A 30 1.598 -1.046 -5.329 1.00 10.00 H new ATOM 0 HB2 TYR A 30 0.217 0.166 -2.899 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.824 0.602 -3.447 1.00 10.00 H new ATOM 0 HD1 TYR A 30 2.114 1.692 -5.740 1.00 10.00 H new ATOM 0 HD2 TYR A 30 -1.774 0.899 -4.084 1.00 10.00 H new ATOM 0 HE1 TYR A 30 1.092 3.276 -7.359 1.00 10.00 H new ATOM 0 HE2 TYR A 30 -2.785 2.464 -5.723 1.00 10.00 H new ATOM 0 HH TYR A 30 -2.413 4.038 -7.249 1.00 10.00 H new ATOM 495 N ASP A 31 2.811 -2.736 -3.945 1.00 10.00 N ATOM 496 CA ASP A 31 3.672 -3.507 -3.064 1.00 10.00 C ATOM 497 C ASP A 31 4.596 -2.534 -2.350 1.00 10.00 C ATOM 498 O ASP A 31 5.359 -1.828 -3.005 1.00 10.00 O ATOM 499 CB ASP A 31 4.510 -4.535 -3.829 1.00 10.00 C ATOM 500 CG ASP A 31 5.518 -5.194 -2.893 1.00 10.00 C ATOM 501 OD1 ASP A 31 5.182 -5.315 -1.692 1.00 10.00 O ATOM 502 OD2 ASP A 31 6.605 -5.573 -3.371 1.00 10.00 O ATOM 0 H ASP A 31 3.100 -2.728 -4.923 1.00 10.00 H new ATOM 0 HA ASP A 31 3.049 -4.059 -2.360 1.00 10.00 H new ATOM 0 HB2 ASP A 31 3.859 -5.292 -4.266 1.00 10.00 H new ATOM 0 HB3 ASP A 31 5.032 -4.049 -4.653 1.00 10.00 H new ATOM 507 N LEU A 32 4.525 -2.502 -1.021 1.00 10.00 N ATOM 508 CA LEU A 32 5.424 -1.724 -0.196 1.00 10.00 C ATOM 509 C LEU A 32 6.154 -2.651 0.779 1.00 10.00 C ATOM 510 O LEU A 32 6.708 -2.186 1.774 1.00 10.00 O ATOM 511 CB LEU A 32 4.637 -0.632 0.537 1.00 10.00 C ATOM 512 CG LEU A 32 3.596 0.118 -0.318 1.00 10.00 C ATOM 513 CD1 LEU A 32 2.670 0.883 0.636 1.00 10.00 C ATOM 514 CD2 LEU A 32 4.293 1.021 -1.343 1.00 10.00 C ATOM 0 H LEU A 32 3.830 -3.025 -0.488 1.00 10.00 H new ATOM 0 HA LEU A 32 6.173 -1.233 -0.817 1.00 10.00 H new ATOM 0 HB2 LEU A 32 4.126 -1.084 1.387 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.344 0.094 0.939 1.00 10.00 H new ATOM 0 HG LEU A 32 2.990 -0.574 -0.903 1.00 10.00 H new ATOM 0 HD11 LEU A 32 1.921 1.425 0.059 1.00 10.00 H new ATOM 0 HD12 LEU A 32 2.174 0.179 1.304 1.00 10.00 H new ATOM 0 HD13 LEU A 32 3.256 1.589 1.224 1.00 10.00 H new ATOM 0 HD21 LEU A 32 3.543 1.543 -1.938 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.915 1.750 -0.823 1.00 10.00 H new ATOM 0 HD23 LEU A 32 4.917 0.413 -1.998 1.00 10.00 H new ATOM 526 N THR A 33 6.184 -3.958 0.494 1.00 10.00 N ATOM 527 CA THR A 33 6.849 -4.953 1.324 1.00 10.00 C ATOM 528 C THR A 33 8.308 -4.566 1.563 1.00 10.00 C ATOM 529 O THR A 33 8.802 -4.616 2.687 1.00 10.00 O ATOM 530 CB THR A 33 6.724 -6.317 0.638 1.00 10.00 C ATOM 531 OG1 THR A 33 5.351 -6.648 0.537 1.00 10.00 O ATOM 532 CG2 THR A 33 7.494 -7.421 1.362 1.00 10.00 C ATOM 0 H THR A 33 5.738 -4.354 -0.334 1.00 10.00 H new ATOM 0 HA THR A 33 6.375 -5.005 2.304 1.00 10.00 H new ATOM 0 HB THR A 33 7.172 -6.240 -0.353 1.00 10.00 H new ATOM 0 HG1 THR A 33 4.962 -6.197 -0.241 1.00 10.00 H new ATOM 0 HG21 THR A 33 7.367 -8.363 0.829 1.00 10.00 H new ATOM 0 HG22 THR A 33 8.553 -7.164 1.397 1.00 10.00 H new ATOM 0 HG23 THR A 33 7.112 -7.525 2.378 1.00 10.00 H new ATOM 540 N LYS A 34 8.990 -4.141 0.497 1.00 10.00 N ATOM 541 CA LYS A 34 10.354 -3.636 0.554 1.00 10.00 C ATOM 542 C LYS A 34 10.327 -2.110 0.617 1.00 10.00 C ATOM 543 O LYS A 34 11.156 -1.440 0.010 1.00 10.00 O ATOM 544 CB LYS A 34 11.144 -4.193 -0.640 1.00 10.00 C ATOM 545 CG LYS A 34 11.739 -5.551 -0.255 1.00 10.00 C ATOM 546 CD LYS A 34 12.189 -6.313 -1.504 1.00 10.00 C ATOM 547 CE LYS A 34 12.881 -7.619 -1.091 1.00 10.00 C ATOM 548 NZ LYS A 34 13.485 -8.312 -2.247 1.00 10.00 N ATOM 0 H LYS A 34 8.598 -4.140 -0.445 1.00 10.00 H new ATOM 0 HA LYS A 34 10.866 -3.973 1.455 1.00 10.00 H new ATOM 0 HB2 LYS A 34 10.491 -4.300 -1.506 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.937 -3.501 -0.922 1.00 10.00 H new ATOM 0 HG2 LYS A 34 12.587 -5.406 0.415 1.00 10.00 H new ATOM 0 HG3 LYS A 34 10.999 -6.138 0.289 1.00 10.00 H new ATOM 0 HD2 LYS A 34 11.330 -6.530 -2.139 1.00 10.00 H new ATOM 0 HD3 LYS A 34 12.871 -5.698 -2.091 1.00 10.00 H new ATOM 0 HE2 LYS A 34 13.654 -7.403 -0.353 1.00 10.00 H new ATOM 0 HE3 LYS A 34 12.157 -8.277 -0.611 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 13.942 -9.189 -1.926 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 12.744 -8.541 -2.940 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 14.194 -7.694 -2.690 1.00 10.00 H new ATOM 562 N PHE A 35 9.368 -1.560 1.365 1.00 10.00 N ATOM 563 CA PHE A 35 9.305 -0.141 1.657 1.00 10.00 C ATOM 564 C PHE A 35 8.882 0.117 3.104 1.00 10.00 C ATOM 565 O PHE A 35 8.617 1.256 3.466 1.00 10.00 O ATOM 566 CB PHE A 35 8.344 0.532 0.675 1.00 10.00 C ATOM 567 CG PHE A 35 8.645 1.989 0.356 1.00 10.00 C ATOM 568 CD1 PHE A 35 9.950 2.395 0.011 1.00 10.00 C ATOM 569 CD2 PHE A 35 7.609 2.943 0.384 1.00 10.00 C ATOM 570 CE1 PHE A 35 10.226 3.747 -0.251 1.00 10.00 C ATOM 571 CE2 PHE A 35 7.884 4.295 0.116 1.00 10.00 C ATOM 572 CZ PHE A 35 9.196 4.700 -0.187 1.00 10.00 C ATOM 0 H PHE A 35 8.610 -2.099 1.785 1.00 10.00 H new ATOM 0 HA PHE A 35 10.301 0.287 1.538 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.349 -0.034 -0.257 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.334 0.468 1.081 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.741 1.663 -0.052 1.00 10.00 H new ATOM 0 HD2 PHE A 35 6.600 2.634 0.612 1.00 10.00 H new ATOM 0 HE1 PHE A 35 11.231 4.054 -0.502 1.00 10.00 H new ATOM 0 HE2 PHE A 35 7.087 5.023 0.143 1.00 10.00 H new ATOM 0 HZ PHE A 35 9.411 5.742 -0.370 1.00 10.00 H new ATOM 582 N LEU A 36 8.797 -0.915 3.947 1.00 10.00 N ATOM 583 CA LEU A 36 8.280 -0.765 5.300 1.00 10.00 C ATOM 584 C LEU A 36 9.202 0.128 6.126 1.00 10.00 C ATOM 585 O LEU A 36 8.796 1.192 6.587 1.00 10.00 O ATOM 586 CB LEU A 36 8.114 -2.147 5.944 1.00 10.00 C ATOM 587 CG LEU A 36 7.056 -3.004 5.240 1.00 10.00 C ATOM 588 CD1 LEU A 36 7.148 -4.432 5.778 1.00 10.00 C ATOM 589 CD2 LEU A 36 5.642 -2.464 5.476 1.00 10.00 C ATOM 0 H LEU A 36 9.082 -1.865 3.710 1.00 10.00 H new ATOM 0 HA LEU A 36 7.303 -0.284 5.263 1.00 10.00 H new ATOM 0 HB2 LEU A 36 9.070 -2.669 5.925 1.00 10.00 H new ATOM 0 HB3 LEU A 36 7.838 -2.025 6.991 1.00 10.00 H new ATOM 0 HG LEU A 36 7.248 -2.979 4.167 1.00 10.00 H new ATOM 0 HD11 LEU A 36 6.401 -5.055 5.286 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.142 -4.832 5.579 1.00 10.00 H new ATOM 0 HD13 LEU A 36 6.967 -4.428 6.853 1.00 10.00 H new ATOM 0 HD21 LEU A 36 4.920 -3.098 4.961 1.00 10.00 H new ATOM 0 HD22 LEU A 36 5.427 -2.462 6.545 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.572 -1.447 5.090 1.00 10.00 H new ATOM 601 N GLU A 37 10.447 -0.315 6.300 1.00 10.00 N ATOM 602 CA GLU A 37 11.453 0.406 7.067 1.00 10.00 C ATOM 603 C GLU A 37 11.816 1.722 6.358 1.00 10.00 C ATOM 604 O GLU A 37 12.200 2.699 6.996 1.00 10.00 O ATOM 605 CB GLU A 37 12.650 -0.532 7.296 1.00 10.00 C ATOM 606 CG GLU A 37 13.382 -0.271 8.621 1.00 10.00 C ATOM 607 CD GLU A 37 14.405 -1.363 8.930 1.00 10.00 C ATOM 608 OE1 GLU A 37 14.852 -2.019 7.963 1.00 10.00 O ATOM 609 OE2 GLU A 37 14.725 -1.525 10.127 1.00 10.00 O ATOM 0 H GLU A 37 10.785 -1.193 5.907 1.00 10.00 H new ATOM 0 HA GLU A 37 11.075 0.698 8.047 1.00 10.00 H new ATOM 0 HB2 GLU A 37 12.302 -1.565 7.279 1.00 10.00 H new ATOM 0 HB3 GLU A 37 13.354 -0.419 6.472 1.00 10.00 H new ATOM 0 HG2 GLU A 37 13.885 0.695 8.574 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.656 -0.213 9.432 1.00 10.00 H new ATOM 616 N GLU A 38 11.665 1.750 5.029 1.00 10.00 N ATOM 617 CA GLU A 38 11.936 2.908 4.194 1.00 10.00 C ATOM 618 C GLU A 38 10.871 4.003 4.388 1.00 10.00 C ATOM 619 O GLU A 38 11.191 5.190 4.425 1.00 10.00 O ATOM 620 CB GLU A 38 11.998 2.445 2.734 1.00 10.00 C ATOM 621 CG GLU A 38 13.001 1.295 2.502 1.00 10.00 C ATOM 622 CD GLU A 38 14.034 1.640 1.434 1.00 10.00 C ATOM 623 OE1 GLU A 38 14.711 2.674 1.616 1.00 10.00 O ATOM 624 OE2 GLU A 38 14.124 0.870 0.454 1.00 10.00 O ATOM 0 H GLU A 38 11.342 0.942 4.498 1.00 10.00 H new ATOM 0 HA GLU A 38 12.890 3.350 4.481 1.00 10.00 H new ATOM 0 HB2 GLU A 38 11.006 2.122 2.420 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.272 3.290 2.103 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.511 1.065 3.438 1.00 10.00 H new ATOM 0 HG3 GLU A 38 12.459 0.397 2.205 1.00 10.00 H new ATOM 631 N HIS A 39 9.592 3.620 4.462 1.00 10.00 N ATOM 632 CA HIS A 39 8.471 4.556 4.478 1.00 10.00 C ATOM 633 C HIS A 39 8.455 5.378 5.784 1.00 10.00 C ATOM 634 O HIS A 39 8.376 4.809 6.876 1.00 10.00 O ATOM 635 CB HIS A 39 7.156 3.794 4.249 1.00 10.00 C ATOM 636 CG HIS A 39 5.922 4.655 4.339 1.00 10.00 C ATOM 637 ND1 HIS A 39 5.368 5.066 5.519 1.00 10.00 N ATOM 638 CD2 HIS A 39 5.179 5.195 3.316 1.00 10.00 C ATOM 639 CE1 HIS A 39 4.318 5.837 5.217 1.00 10.00 C ATOM 640 NE2 HIS A 39 4.147 5.960 3.888 1.00 10.00 N ATOM 0 H HIS A 39 9.307 2.642 4.513 1.00 10.00 H new ATOM 0 HA HIS A 39 8.588 5.272 3.664 1.00 10.00 H new ATOM 0 HB2 HIS A 39 7.187 3.324 3.266 1.00 10.00 H new ATOM 0 HB3 HIS A 39 7.081 2.992 4.983 1.00 10.00 H new ATOM 0 HD2 HIS A 39 5.357 5.056 2.260 1.00 10.00 H new ATOM 0 HE1 HIS A 39 3.682 6.306 5.953 1.00 10.00 H new ATOM 0 HE2 HIS A 39 3.426 6.492 3.401 1.00 10.00 H new ATOM 648 N PRO A 40 8.453 6.721 5.703 1.00 10.00 N ATOM 649 CA PRO A 40 8.715 7.599 6.839 1.00 10.00 C ATOM 650 C PRO A 40 7.645 7.503 7.929 1.00 10.00 C ATOM 651 O PRO A 40 7.951 7.684 9.103 1.00 10.00 O ATOM 652 CB PRO A 40 8.813 9.012 6.259 1.00 10.00 C ATOM 653 CG PRO A 40 7.984 8.934 4.980 1.00 10.00 C ATOM 654 CD PRO A 40 8.203 7.500 4.502 1.00 10.00 C ATOM 0 HA PRO A 40 9.636 7.306 7.342 1.00 10.00 H new ATOM 0 HB2 PRO A 40 8.416 9.757 6.949 1.00 10.00 H new ATOM 0 HB3 PRO A 40 9.846 9.289 6.051 1.00 10.00 H new ATOM 0 HG2 PRO A 40 6.930 9.137 5.171 1.00 10.00 H new ATOM 0 HG3 PRO A 40 8.319 9.660 4.239 1.00 10.00 H new ATOM 0 HD2 PRO A 40 7.329 7.127 3.968 1.00 10.00 H new ATOM 0 HD3 PRO A 40 9.046 7.441 3.814 1.00 10.00 H new ATOM 662 N GLY A 41 6.397 7.196 7.552 1.00 10.00 N ATOM 663 CA GLY A 41 5.311 6.927 8.491 1.00 10.00 C ATOM 664 C GLY A 41 5.672 5.909 9.578 1.00 10.00 C ATOM 665 O GLY A 41 5.027 5.894 10.624 1.00 10.00 O ATOM 0 H GLY A 41 6.114 7.128 6.574 1.00 10.00 H new ATOM 0 HA2 GLY A 41 5.014 7.862 8.966 1.00 10.00 H new ATOM 0 HA3 GLY A 41 4.446 6.562 7.937 1.00 10.00 H new ATOM 669 N GLY A 42 6.660 5.042 9.326 1.00 10.00 N ATOM 670 CA GLY A 42 7.076 4.034 10.282 1.00 10.00 C ATOM 671 C GLY A 42 6.326 2.736 10.015 1.00 10.00 C ATOM 672 O GLY A 42 5.094 2.718 9.958 1.00 10.00 O ATOM 0 H GLY A 42 7.187 5.027 8.453 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.150 3.867 10.205 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.878 4.378 11.297 1.00 10.00 H new ATOM 676 N GLU A 43 7.078 1.649 9.834 1.00 10.00 N ATOM 677 CA GLU A 43 6.561 0.304 9.678 1.00 10.00 C ATOM 678 C GLU A 43 5.623 -0.075 10.828 1.00 10.00 C ATOM 679 O GLU A 43 6.026 -0.525 11.895 1.00 10.00 O ATOM 680 CB GLU A 43 7.722 -0.674 9.545 1.00 10.00 C ATOM 681 CG GLU A 43 8.810 -0.487 10.618 1.00 10.00 C ATOM 682 CD GLU A 43 9.288 -1.821 11.188 1.00 10.00 C ATOM 683 OE1 GLU A 43 8.421 -2.682 11.458 1.00 10.00 O ATOM 684 OE2 GLU A 43 10.517 -1.961 11.340 1.00 10.00 O ATOM 0 H GLU A 43 8.096 1.691 9.792 1.00 10.00 H new ATOM 0 HA GLU A 43 5.963 0.258 8.768 1.00 10.00 H new ATOM 0 HB2 GLU A 43 7.337 -1.692 9.603 1.00 10.00 H new ATOM 0 HB3 GLU A 43 8.172 -0.559 8.559 1.00 10.00 H new ATOM 0 HG2 GLU A 43 9.657 0.047 10.186 1.00 10.00 H new ATOM 0 HG3 GLU A 43 8.420 0.133 11.425 1.00 10.00 H new ATOM 691 N ALA A 44 4.335 0.128 10.591 1.00 10.00 N ATOM 692 CA ALA A 44 3.286 -0.064 11.574 1.00 10.00 C ATOM 693 C ALA A 44 1.969 0.283 10.907 1.00 10.00 C ATOM 694 O ALA A 44 1.178 -0.600 10.597 1.00 10.00 O ATOM 695 CB ALA A 44 3.528 0.801 12.820 1.00 10.00 C ATOM 0 H ALA A 44 3.985 0.439 9.685 1.00 10.00 H new ATOM 0 HA ALA A 44 3.272 -1.099 11.917 1.00 10.00 H new ATOM 0 HB1 ALA A 44 2.726 0.636 13.539 1.00 10.00 H new ATOM 0 HB2 ALA A 44 4.482 0.529 13.272 1.00 10.00 H new ATOM 0 HB3 ALA A 44 3.548 1.853 12.534 1.00 10.00 H new ATOM 701 N VAL A 45 1.749 1.564 10.619 1.00 10.00 N ATOM 702 CA VAL A 45 0.528 1.968 9.945 1.00 10.00 C ATOM 703 C VAL A 45 0.442 1.272 8.578 1.00 10.00 C ATOM 704 O VAL A 45 -0.619 0.759 8.219 1.00 10.00 O ATOM 705 CB VAL A 45 0.407 3.503 9.937 1.00 10.00 C ATOM 706 CG1 VAL A 45 1.464 4.202 9.078 1.00 10.00 C ATOM 707 CG2 VAL A 45 -1.007 3.956 9.548 1.00 10.00 C ATOM 0 H VAL A 45 2.391 2.325 10.839 1.00 10.00 H new ATOM 0 HA VAL A 45 -0.358 1.635 10.485 1.00 10.00 H new ATOM 0 HB VAL A 45 0.600 3.814 10.964 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.314 5.281 9.122 1.00 10.00 H new ATOM 0 HG12 VAL A 45 2.458 3.958 9.454 1.00 10.00 H new ATOM 0 HG13 VAL A 45 1.374 3.865 8.045 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.054 5.045 9.553 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -1.246 3.587 8.551 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -1.726 3.558 10.264 1.00 10.00 H new ATOM 717 N LEU A 46 1.564 1.161 7.849 1.00 10.00 N ATOM 718 CA LEU A 46 1.550 0.512 6.543 1.00 10.00 C ATOM 719 C LEU A 46 1.217 -0.969 6.687 1.00 10.00 C ATOM 720 O LEU A 46 0.370 -1.498 5.972 1.00 10.00 O ATOM 721 CB LEU A 46 2.888 0.712 5.809 1.00 10.00 C ATOM 722 CG LEU A 46 3.332 2.180 5.689 1.00 10.00 C ATOM 723 CD1 LEU A 46 2.134 3.100 5.426 1.00 10.00 C ATOM 724 CD2 LEU A 46 4.193 2.631 6.883 1.00 10.00 C ATOM 0 H LEU A 46 2.477 1.509 8.143 1.00 10.00 H new ATOM 0 HA LEU A 46 0.772 0.979 5.939 1.00 10.00 H new ATOM 0 HB2 LEU A 46 3.663 0.152 6.332 1.00 10.00 H new ATOM 0 HB3 LEU A 46 2.807 0.286 4.809 1.00 10.00 H new ATOM 0 HG LEU A 46 3.984 2.258 4.819 1.00 10.00 H new ATOM 0 HD11 LEU A 46 2.478 4.131 5.346 1.00 10.00 H new ATOM 0 HD12 LEU A 46 1.647 2.806 4.496 1.00 10.00 H new ATOM 0 HD13 LEU A 46 1.424 3.017 6.249 1.00 10.00 H new ATOM 0 HD21 LEU A 46 4.481 3.674 6.751 1.00 10.00 H new ATOM 0 HD22 LEU A 46 3.620 2.527 7.805 1.00 10.00 H new ATOM 0 HD23 LEU A 46 5.088 2.012 6.940 1.00 10.00 H new ATOM 736 N ARG A 47 1.883 -1.640 7.628 1.00 10.00 N ATOM 737 CA ARG A 47 1.743 -3.075 7.793 1.00 10.00 C ATOM 738 C ARG A 47 0.354 -3.415 8.329 1.00 10.00 C ATOM 739 O ARG A 47 -0.183 -4.480 8.044 1.00 10.00 O ATOM 740 CB ARG A 47 2.886 -3.615 8.661 1.00 10.00 C ATOM 741 CG ARG A 47 2.602 -3.615 10.162 1.00 10.00 C ATOM 742 CD ARG A 47 3.787 -4.172 10.959 1.00 10.00 C ATOM 743 NE ARG A 47 3.391 -4.457 12.348 1.00 10.00 N ATOM 744 CZ ARG A 47 2.574 -5.460 12.718 1.00 10.00 C ATOM 745 NH1 ARG A 47 2.137 -6.336 11.804 1.00 10.00 N ATOM 746 NH2 ARG A 47 2.191 -5.575 13.994 1.00 10.00 N ATOM 0 H ARG A 47 2.527 -1.203 8.288 1.00 10.00 H new ATOM 0 HA ARG A 47 1.824 -3.573 6.827 1.00 10.00 H new ATOM 0 HB2 ARG A 47 3.112 -4.634 8.348 1.00 10.00 H new ATOM 0 HB3 ARG A 47 3.779 -3.019 8.474 1.00 10.00 H new ATOM 0 HG2 ARG A 47 2.386 -2.599 10.492 1.00 10.00 H new ATOM 0 HG3 ARG A 47 1.713 -4.212 10.365 1.00 10.00 H new ATOM 0 HD2 ARG A 47 4.154 -5.083 10.486 1.00 10.00 H new ATOM 0 HD3 ARG A 47 4.608 -3.455 10.949 1.00 10.00 H new ATOM 0 HE ARG A 47 3.762 -3.852 13.081 1.00 10.00 H new ATOM 0 HH11 ARG A 47 2.424 -6.242 10.830 1.00 10.00 H new ATOM 0 HH12 ARG A 47 1.518 -7.097 12.082 1.00 10.00 H new ATOM 0 HH21 ARG A 47 2.518 -4.902 14.687 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.572 -6.336 14.274 1.00 10.00 H new ATOM 760 N ALA A 48 -0.209 -2.515 9.137 1.00 10.00 N ATOM 761 CA ALA A 48 -1.501 -2.698 9.764 1.00 10.00 C ATOM 762 C ALA A 48 -2.622 -2.520 8.742 1.00 10.00 C ATOM 763 O ALA A 48 -3.519 -3.354 8.665 1.00 10.00 O ATOM 764 CB ALA A 48 -1.641 -1.705 10.919 1.00 10.00 C ATOM 0 H ALA A 48 0.234 -1.627 9.372 1.00 10.00 H new ATOM 0 HA ALA A 48 -1.577 -3.711 10.158 1.00 10.00 H new ATOM 0 HB1 ALA A 48 -2.612 -1.837 11.396 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.851 -1.882 11.649 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -1.560 -0.688 10.536 1.00 10.00 H new ATOM 770 N GLN A 49 -2.574 -1.439 7.954 1.00 10.00 N ATOM 771 CA GLN A 49 -3.539 -1.209 6.888 1.00 10.00 C ATOM 772 C GLN A 49 -3.320 -2.148 5.699 1.00 10.00 C ATOM 773 O GLN A 49 -4.162 -2.210 4.802 1.00 10.00 O ATOM 774 CB GLN A 49 -3.446 0.254 6.451 1.00 10.00 C ATOM 775 CG GLN A 49 -4.268 1.178 7.359 1.00 10.00 C ATOM 776 CD GLN A 49 -5.767 0.885 7.291 1.00 10.00 C ATOM 777 OE1 GLN A 49 -6.395 0.593 8.303 1.00 10.00 O ATOM 778 NE2 GLN A 49 -6.335 0.933 6.088 1.00 10.00 N ATOM 0 H GLN A 49 -1.868 -0.708 8.041 1.00 10.00 H new ATOM 0 HA GLN A 49 -4.538 -1.422 7.269 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.403 0.570 6.461 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.798 0.349 5.424 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.926 1.068 8.388 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -4.091 2.215 7.073 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -5.778 1.180 5.270 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -7.328 0.723 5.984 1.00 10.00 H new ATOM 787 N ALA A 50 -2.190 -2.857 5.657 1.00 10.00 N ATOM 788 CA ALA A 50 -1.955 -3.865 4.641 1.00 10.00 C ATOM 789 C ALA A 50 -3.120 -4.853 4.553 1.00 10.00 C ATOM 790 O ALA A 50 -3.712 -5.229 5.563 1.00 10.00 O ATOM 791 CB ALA A 50 -0.685 -4.647 4.955 1.00 10.00 C ATOM 0 H ALA A 50 -1.425 -2.745 6.322 1.00 10.00 H new ATOM 0 HA ALA A 50 -1.854 -3.345 3.689 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -0.521 -5.400 4.184 1.00 10.00 H new ATOM 0 HB2 ALA A 50 0.165 -3.965 4.982 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -0.789 -5.136 5.924 1.00 10.00 H new ATOM 797 N GLY A 51 -3.417 -5.295 3.336 1.00 10.00 N ATOM 798 CA GLY A 51 -4.491 -6.217 3.023 1.00 10.00 C ATOM 799 C GLY A 51 -5.422 -5.597 1.989 1.00 10.00 C ATOM 800 O GLY A 51 -5.989 -6.307 1.163 1.00 10.00 O ATOM 0 H GLY A 51 -2.892 -5.006 2.511 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -4.080 -7.151 2.641 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -5.048 -6.460 3.928 1.00 10.00 H new ATOM 804 N GLY A 52 -5.568 -4.270 2.023 1.00 10.00 N ATOM 805 CA GLY A 52 -6.467 -3.532 1.155 1.00 10.00 C ATOM 806 C GLY A 52 -7.270 -2.550 1.988 1.00 10.00 C ATOM 807 O GLY A 52 -7.076 -2.463 3.197 1.00 10.00 O ATOM 0 H GLY A 52 -5.051 -3.674 2.670 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -5.900 -3.000 0.391 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.136 -4.219 0.636 1.00 10.00 H new ATOM 811 N ASP A 53 -8.144 -1.797 1.318 1.00 10.00 N ATOM 812 CA ASP A 53 -9.000 -0.801 1.944 1.00 10.00 C ATOM 813 C ASP A 53 -8.158 0.201 2.742 1.00 10.00 C ATOM 814 O ASP A 53 -8.375 0.453 3.928 1.00 10.00 O ATOM 815 CB ASP A 53 -10.089 -1.491 2.777 1.00 10.00 C ATOM 816 CG ASP A 53 -11.256 -0.561 3.087 1.00 10.00 C ATOM 817 OD1 ASP A 53 -11.195 0.613 2.657 1.00 10.00 O ATOM 818 OD2 ASP A 53 -12.212 -1.061 3.716 1.00 10.00 O ATOM 0 H ASP A 53 -8.275 -1.867 0.309 1.00 10.00 H new ATOM 0 HA ASP A 53 -9.517 -0.221 1.180 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -10.457 -2.365 2.238 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -9.656 -1.851 3.710 1.00 10.00 H new ATOM 823 N ALA A 54 -7.149 0.759 2.062 1.00 10.00 N ATOM 824 CA ALA A 54 -6.293 1.795 2.614 1.00 10.00 C ATOM 825 C ALA A 54 -6.405 3.087 1.819 1.00 10.00 C ATOM 826 O ALA A 54 -5.755 4.058 2.187 1.00 10.00 O ATOM 827 CB ALA A 54 -4.841 1.322 2.675 1.00 10.00 C ATOM 0 H ALA A 54 -6.909 0.496 1.106 1.00 10.00 H new ATOM 0 HA ALA A 54 -6.631 1.999 3.630 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -4.218 2.113 3.091 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -4.773 0.436 3.307 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -4.495 1.079 1.670 1.00 10.00 H new ATOM 833 N THR A 55 -7.225 3.127 0.764 1.00 10.00 N ATOM 834 CA THR A 55 -7.460 4.325 -0.023 1.00 10.00 C ATOM 835 C THR A 55 -7.729 5.524 0.894 1.00 10.00 C ATOM 836 O THR A 55 -7.022 6.529 0.844 1.00 10.00 O ATOM 837 CB THR A 55 -8.619 4.052 -0.998 1.00 10.00 C ATOM 838 OG1 THR A 55 -8.423 2.822 -1.675 1.00 10.00 O ATOM 839 CG2 THR A 55 -8.681 5.132 -2.066 1.00 10.00 C ATOM 0 H THR A 55 -7.747 2.315 0.435 1.00 10.00 H new ATOM 0 HA THR A 55 -6.575 4.579 -0.607 1.00 10.00 H new ATOM 0 HB THR A 55 -9.536 4.030 -0.409 1.00 10.00 H new ATOM 0 HG1 THR A 55 -9.170 2.664 -2.289 1.00 10.00 H new ATOM 0 HG21 THR A 55 -9.506 4.923 -2.747 1.00 10.00 H new ATOM 0 HG22 THR A 55 -8.837 6.102 -1.594 1.00 10.00 H new ATOM 0 HG23 THR A 55 -7.745 5.146 -2.624 1.00 10.00 H new ATOM 847 N ALA A 56 -8.716 5.381 1.783 1.00 10.00 N ATOM 848 CA ALA A 56 -9.096 6.423 2.724 1.00 10.00 C ATOM 849 C ALA A 56 -7.927 6.805 3.630 1.00 10.00 C ATOM 850 O ALA A 56 -7.738 7.976 3.928 1.00 10.00 O ATOM 851 CB ALA A 56 -10.300 5.960 3.549 1.00 10.00 C ATOM 0 H ALA A 56 -9.274 4.531 1.866 1.00 10.00 H new ATOM 0 HA ALA A 56 -9.375 7.314 2.162 1.00 10.00 H new ATOM 0 HB1 ALA A 56 -10.582 6.743 4.253 1.00 10.00 H new ATOM 0 HB2 ALA A 56 -11.138 5.751 2.884 1.00 10.00 H new ATOM 0 HB3 ALA A 56 -10.039 5.056 4.098 1.00 10.00 H new ATOM 857 N ASN A 57 -7.140 5.824 4.074 1.00 10.00 N ATOM 858 CA ASN A 57 -6.016 6.039 4.978 1.00 10.00 C ATOM 859 C ASN A 57 -4.928 6.851 4.270 1.00 10.00 C ATOM 860 O ASN A 57 -4.458 7.867 4.777 1.00 10.00 O ATOM 861 CB ASN A 57 -5.487 4.680 5.472 1.00 10.00 C ATOM 862 CG ASN A 57 -5.348 4.635 6.989 1.00 10.00 C ATOM 863 OD1 ASN A 57 -6.160 4.022 7.670 1.00 10.00 O ATOM 864 ND2 ASN A 57 -4.312 5.255 7.546 1.00 10.00 N ATOM 0 H ASN A 57 -7.269 4.847 3.811 1.00 10.00 H new ATOM 0 HA ASN A 57 -6.340 6.610 5.848 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -6.163 3.889 5.147 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -4.518 4.480 5.014 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -4.183 5.225 8.557 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.646 5.761 6.962 1.00 10.00 H new ATOM 871 N PHE A 58 -4.537 6.395 3.079 1.00 10.00 N ATOM 872 CA PHE A 58 -3.566 7.052 2.216 1.00 10.00 C ATOM 873 C PHE A 58 -3.971 8.504 1.945 1.00 10.00 C ATOM 874 O PHE A 58 -3.177 9.429 2.135 1.00 10.00 O ATOM 875 CB PHE A 58 -3.465 6.254 0.911 1.00 10.00 C ATOM 876 CG PHE A 58 -2.491 6.814 -0.106 1.00 10.00 C ATOM 877 CD1 PHE A 58 -1.116 6.808 0.175 1.00 10.00 C ATOM 878 CD2 PHE A 58 -2.946 7.297 -1.348 1.00 10.00 C ATOM 879 CE1 PHE A 58 -0.196 7.297 -0.767 1.00 10.00 C ATOM 880 CE2 PHE A 58 -2.023 7.750 -2.306 1.00 10.00 C ATOM 881 CZ PHE A 58 -0.647 7.758 -2.014 1.00 10.00 C ATOM 0 H PHE A 58 -4.902 5.530 2.680 1.00 10.00 H new ATOM 0 HA PHE A 58 -2.593 7.079 2.706 1.00 10.00 H new ATOM 0 HB2 PHE A 58 -3.171 5.232 1.149 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -4.454 6.203 0.456 1.00 10.00 H new ATOM 0 HD1 PHE A 58 -0.763 6.425 1.121 1.00 10.00 H new ATOM 0 HD2 PHE A 58 -4.004 7.319 -1.564 1.00 10.00 H new ATOM 0 HE1 PHE A 58 0.858 7.318 -0.532 1.00 10.00 H new ATOM 0 HE2 PHE A 58 -2.371 8.093 -3.269 1.00 10.00 H new ATOM 0 HZ PHE A 58 0.060 8.118 -2.747 1.00 10.00 H new ATOM 891 N GLU A 59 -5.220 8.691 1.512 1.00 10.00 N ATOM 892 CA GLU A 59 -5.783 9.999 1.217 1.00 10.00 C ATOM 893 C GLU A 59 -5.897 10.852 2.479 1.00 10.00 C ATOM 894 O GLU A 59 -5.638 12.049 2.430 1.00 10.00 O ATOM 895 CB GLU A 59 -7.148 9.817 0.559 1.00 10.00 C ATOM 896 CG GLU A 59 -6.996 9.242 -0.854 1.00 10.00 C ATOM 897 CD GLU A 59 -6.988 10.343 -1.910 1.00 10.00 C ATOM 898 OE1 GLU A 59 -8.097 10.844 -2.197 1.00 10.00 O ATOM 899 OE2 GLU A 59 -5.887 10.675 -2.402 1.00 10.00 O ATOM 0 H GLU A 59 -5.873 7.923 1.356 1.00 10.00 H new ATOM 0 HA GLU A 59 -5.117 10.526 0.533 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -7.763 9.151 1.164 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -7.666 10.775 0.513 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -6.070 8.670 -0.917 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -7.813 8.549 -1.056 1.00 10.00 H new ATOM 906 N ALA A 60 -6.265 10.255 3.616 1.00 10.00 N ATOM 907 CA ALA A 60 -6.355 10.957 4.890 1.00 10.00 C ATOM 908 C ALA A 60 -5.021 11.622 5.238 1.00 10.00 C ATOM 909 O ALA A 60 -5.003 12.752 5.720 1.00 10.00 O ATOM 910 CB ALA A 60 -6.817 10.003 5.998 1.00 10.00 C ATOM 0 H ALA A 60 -6.509 9.266 3.674 1.00 10.00 H new ATOM 0 HA ALA A 60 -7.101 11.747 4.801 1.00 10.00 H new ATOM 0 HB1 ALA A 60 -6.878 10.544 6.942 1.00 10.00 H new ATOM 0 HB2 ALA A 60 -7.798 9.601 5.746 1.00 10.00 H new ATOM 0 HB3 ALA A 60 -6.103 9.185 6.095 1.00 10.00 H new ATOM 916 N VAL A 61 -3.903 10.939 4.974 1.00 10.00 N ATOM 917 CA VAL A 61 -2.581 11.547 5.105 1.00 10.00 C ATOM 918 C VAL A 61 -2.390 12.682 4.091 1.00 10.00 C ATOM 919 O VAL A 61 -1.682 13.650 4.363 1.00 10.00 O ATOM 920 CB VAL A 61 -1.500 10.472 4.935 1.00 10.00 C ATOM 921 CG1 VAL A 61 -0.084 11.060 5.013 1.00 10.00 C ATOM 922 CG2 VAL A 61 -1.683 9.360 5.975 1.00 10.00 C ATOM 0 H VAL A 61 -3.890 9.966 4.669 1.00 10.00 H new ATOM 0 HA VAL A 61 -2.494 11.983 6.100 1.00 10.00 H new ATOM 0 HB VAL A 61 -1.617 10.046 3.938 1.00 10.00 H new ATOM 0 HG11 VAL A 61 0.648 10.263 4.887 1.00 10.00 H new ATOM 0 HG12 VAL A 61 0.047 11.800 4.224 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.060 11.535 5.983 1.00 10.00 H new ATOM 0 HG21 VAL A 61 -0.908 8.605 5.841 1.00 10.00 H new ATOM 0 HG22 VAL A 61 -1.608 9.783 6.977 1.00 10.00 H new ATOM 0 HG23 VAL A 61 -2.663 8.900 5.848 1.00 10.00 H new ATOM 932 N GLY A 62 -2.970 12.547 2.899 1.00 10.00 N ATOM 933 CA GLY A 62 -2.859 13.518 1.826 1.00 10.00 C ATOM 934 C GLY A 62 -1.783 13.061 0.854 1.00 10.00 C ATOM 935 O GLY A 62 -2.093 12.737 -0.290 1.00 10.00 O ATOM 0 H GLY A 62 -3.542 11.739 2.653 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -3.814 13.620 1.310 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.609 14.499 2.230 1.00 10.00 H new ATOM 939 N HIS A 63 -0.533 13.017 1.334 1.00 10.00 N ATOM 940 CA HIS A 63 0.658 12.712 0.542 1.00 10.00 C ATOM 941 C HIS A 63 0.899 13.782 -0.545 1.00 10.00 C ATOM 942 O HIS A 63 -0.017 14.506 -0.934 1.00 10.00 O ATOM 943 CB HIS A 63 0.580 11.283 -0.032 1.00 10.00 C ATOM 944 CG HIS A 63 0.687 10.171 0.989 1.00 10.00 C ATOM 945 ND1 HIS A 63 -0.331 9.607 1.730 1.00 10.00 N ATOM 946 CD2 HIS A 63 1.826 9.466 1.264 1.00 10.00 C ATOM 947 CE1 HIS A 63 0.213 8.612 2.462 1.00 10.00 C ATOM 948 NE2 HIS A 63 1.524 8.467 2.198 1.00 10.00 N ATOM 0 H HIS A 63 -0.320 13.199 2.315 1.00 10.00 H new ATOM 0 HA HIS A 63 1.528 12.743 1.198 1.00 10.00 H new ATOM 0 HB2 HIS A 63 -0.364 11.174 -0.566 1.00 10.00 H new ATOM 0 HB3 HIS A 63 1.377 11.159 -0.765 1.00 10.00 H new ATOM 0 HD1 HIS A 63 -1.311 9.889 1.725 1.00 10.00 H new ATOM 0 HD2 HIS A 63 2.799 9.649 0.832 1.00 10.00 H new ATOM 0 HE1 HIS A 63 -0.335 8.008 3.170 1.00 10.00 H new ATOM 956 N SER A 64 2.143 13.924 -1.023 1.00 10.00 N ATOM 957 CA SER A 64 2.492 14.921 -2.039 1.00 10.00 C ATOM 958 C SER A 64 2.646 14.300 -3.432 1.00 10.00 C ATOM 959 O SER A 64 2.511 13.091 -3.622 1.00 10.00 O ATOM 960 CB SER A 64 3.756 15.685 -1.624 1.00 10.00 C ATOM 961 OG SER A 64 3.898 16.840 -2.437 1.00 10.00 O ATOM 0 H SER A 64 2.931 13.353 -0.717 1.00 10.00 H new ATOM 0 HA SER A 64 1.665 15.628 -2.105 1.00 10.00 H new ATOM 0 HB2 SER A 64 3.693 15.971 -0.574 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.632 15.044 -1.727 1.00 10.00 H new ATOM 0 HG SER A 64 4.704 17.330 -2.172 1.00 10.00 H new ATOM 967 N THR A 65 2.949 15.139 -4.422 1.00 10.00 N ATOM 968 CA THR A 65 3.139 14.740 -5.809 1.00 10.00 C ATOM 969 C THR A 65 4.231 13.680 -5.917 1.00 10.00 C ATOM 970 O THR A 65 4.045 12.662 -6.577 1.00 10.00 O ATOM 971 CB THR A 65 3.471 15.973 -6.655 1.00 10.00 C ATOM 972 OG1 THR A 65 2.746 17.079 -6.150 1.00 10.00 O ATOM 973 CG2 THR A 65 3.109 15.742 -8.126 1.00 10.00 C ATOM 0 H THR A 65 3.072 16.141 -4.274 1.00 10.00 H new ATOM 0 HA THR A 65 2.217 14.298 -6.188 1.00 10.00 H new ATOM 0 HB THR A 65 4.542 16.167 -6.599 1.00 10.00 H new ATOM 0 HG1 THR A 65 2.951 17.876 -6.683 1.00 10.00 H new ATOM 0 HG21 THR A 65 3.354 16.632 -8.705 1.00 10.00 H new ATOM 0 HG22 THR A 65 3.673 14.892 -8.510 1.00 10.00 H new ATOM 0 HG23 THR A 65 2.042 15.537 -8.210 1.00 10.00 H new ATOM 981 N ASP A 66 5.355 13.916 -5.235 1.00 10.00 N ATOM 982 CA ASP A 66 6.479 12.992 -5.197 1.00 10.00 C ATOM 983 C ASP A 66 5.982 11.600 -4.822 1.00 10.00 C ATOM 984 O ASP A 66 6.197 10.628 -5.534 1.00 10.00 O ATOM 985 CB ASP A 66 7.508 13.496 -4.177 1.00 10.00 C ATOM 986 CG ASP A 66 8.909 13.006 -4.512 1.00 10.00 C ATOM 987 OD1 ASP A 66 9.024 11.816 -4.870 1.00 10.00 O ATOM 988 OD2 ASP A 66 9.835 13.836 -4.398 1.00 10.00 O ATOM 0 H ASP A 66 5.506 14.765 -4.690 1.00 10.00 H new ATOM 0 HA ASP A 66 6.952 12.936 -6.177 1.00 10.00 H new ATOM 0 HB2 ASP A 66 7.498 14.586 -4.156 1.00 10.00 H new ATOM 0 HB3 ASP A 66 7.231 13.155 -3.180 1.00 10.00 H new ATOM 993 N ALA A 67 5.211 11.531 -3.736 1.00 10.00 N ATOM 994 CA ALA A 67 4.581 10.299 -3.290 1.00 10.00 C ATOM 995 C ALA A 67 3.666 9.740 -4.377 1.00 10.00 C ATOM 996 O ALA A 67 3.788 8.570 -4.725 1.00 10.00 O ATOM 997 CB ALA A 67 3.811 10.521 -1.990 1.00 10.00 C ATOM 0 H ALA A 67 5.008 12.335 -3.142 1.00 10.00 H new ATOM 0 HA ALA A 67 5.364 9.567 -3.094 1.00 10.00 H new ATOM 0 HB1 ALA A 67 3.349 9.585 -1.677 1.00 10.00 H new ATOM 0 HB2 ALA A 67 4.496 10.864 -1.215 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.038 11.272 -2.149 1.00 10.00 H new ATOM 1003 N ARG A 68 2.757 10.556 -4.921 1.00 10.00 N ATOM 1004 CA ARG A 68 1.819 10.142 -5.966 1.00 10.00 C ATOM 1005 C ARG A 68 2.566 9.510 -7.153 1.00 10.00 C ATOM 1006 O ARG A 68 2.079 8.547 -7.749 1.00 10.00 O ATOM 1007 CB ARG A 68 0.951 11.342 -6.396 1.00 10.00 C ATOM 1008 CG ARG A 68 -0.056 11.743 -5.299 1.00 10.00 C ATOM 1009 CD ARG A 68 -0.435 13.229 -5.296 1.00 10.00 C ATOM 1010 NE ARG A 68 -1.891 13.455 -5.327 1.00 10.00 N ATOM 1011 CZ ARG A 68 -2.626 13.624 -6.439 1.00 10.00 C ATOM 1012 NH1 ARG A 68 -2.053 13.491 -7.641 1.00 10.00 N ATOM 1013 NH2 ARG A 68 -3.927 13.924 -6.346 1.00 10.00 N ATOM 0 H ARG A 68 2.652 11.532 -4.644 1.00 10.00 H new ATOM 0 HA ARG A 68 1.154 9.375 -5.569 1.00 10.00 H new ATOM 0 HB2 ARG A 68 1.594 12.191 -6.627 1.00 10.00 H new ATOM 0 HB3 ARG A 68 0.412 11.092 -7.310 1.00 10.00 H new ATOM 0 HG2 ARG A 68 -0.962 11.150 -5.421 1.00 10.00 H new ATOM 0 HG3 ARG A 68 0.364 11.486 -4.327 1.00 10.00 H new ATOM 0 HD2 ARG A 68 -0.019 13.702 -4.406 1.00 10.00 H new ATOM 0 HD3 ARG A 68 0.021 13.716 -6.158 1.00 10.00 H new ATOM 0 HE ARG A 68 -2.380 13.486 -4.432 1.00 10.00 H new ATOM 0 HH11 ARG A 68 -1.061 13.262 -7.711 1.00 10.00 H new ATOM 0 HH12 ARG A 68 -2.608 13.619 -8.487 1.00 10.00 H new ATOM 0 HH21 ARG A 68 -4.363 14.025 -5.429 1.00 10.00 H new ATOM 0 HH22 ARG A 68 -4.483 14.052 -7.192 1.00 10.00 H new ATOM 1027 N GLU A 69 3.755 10.028 -7.470 1.00 10.00 N ATOM 1028 CA GLU A 69 4.595 9.543 -8.559 1.00 10.00 C ATOM 1029 C GLU A 69 5.333 8.272 -8.124 1.00 10.00 C ATOM 1030 O GLU A 69 5.371 7.272 -8.838 1.00 10.00 O ATOM 1031 CB GLU A 69 5.542 10.676 -8.972 1.00 10.00 C ATOM 1032 CG GLU A 69 4.933 11.542 -10.091 1.00 10.00 C ATOM 1033 CD GLU A 69 5.295 11.045 -11.488 1.00 10.00 C ATOM 1034 OE1 GLU A 69 5.468 9.816 -11.635 1.00 10.00 O ATOM 1035 OE2 GLU A 69 5.377 11.908 -12.388 1.00 10.00 O ATOM 0 H GLU A 69 4.166 10.813 -6.964 1.00 10.00 H new ATOM 0 HA GLU A 69 3.998 9.266 -9.428 1.00 10.00 H new ATOM 0 HB2 GLU A 69 5.763 11.301 -8.106 1.00 10.00 H new ATOM 0 HB3 GLU A 69 6.489 10.255 -9.311 1.00 10.00 H new ATOM 0 HG2 GLU A 69 3.848 11.554 -9.985 1.00 10.00 H new ATOM 0 HG3 GLU A 69 5.276 12.570 -9.976 1.00 10.00 H new ATOM 1042 N LEU A 70 5.884 8.277 -6.913 1.00 10.00 N ATOM 1043 CA LEU A 70 6.588 7.143 -6.347 1.00 10.00 C ATOM 1044 C LEU A 70 5.669 5.926 -6.367 1.00 10.00 C ATOM 1045 O LEU A 70 6.002 4.901 -6.955 1.00 10.00 O ATOM 1046 CB LEU A 70 7.098 7.514 -4.948 1.00 10.00 C ATOM 1047 CG LEU A 70 7.892 6.455 -4.164 1.00 10.00 C ATOM 1048 CD1 LEU A 70 8.445 5.350 -5.040 1.00 10.00 C ATOM 1049 CD2 LEU A 70 9.011 7.087 -3.337 1.00 10.00 C ATOM 0 H LEU A 70 5.850 9.085 -6.292 1.00 10.00 H new ATOM 0 HA LEU A 70 7.466 6.881 -6.937 1.00 10.00 H new ATOM 0 HB2 LEU A 70 7.727 8.398 -5.046 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.237 7.801 -4.344 1.00 10.00 H new ATOM 0 HG LEU A 70 7.173 5.994 -3.487 1.00 10.00 H new ATOM 0 HD11 LEU A 70 8.994 4.637 -4.424 1.00 10.00 H new ATOM 0 HD12 LEU A 70 7.624 4.839 -5.542 1.00 10.00 H new ATOM 0 HD13 LEU A 70 9.116 5.778 -5.785 1.00 10.00 H new ATOM 0 HD21 LEU A 70 9.549 6.308 -2.797 1.00 10.00 H new ATOM 0 HD22 LEU A 70 9.700 7.613 -3.998 1.00 10.00 H new ATOM 0 HD23 LEU A 70 8.583 7.792 -2.624 1.00 10.00 H new ATOM 1061 N SER A 71 4.488 6.058 -5.766 1.00 10.00 N ATOM 1062 CA SER A 71 3.425 5.065 -5.813 1.00 10.00 C ATOM 1063 C SER A 71 3.374 4.384 -7.182 1.00 10.00 C ATOM 1064 O SER A 71 3.488 3.167 -7.259 1.00 10.00 O ATOM 1065 CB SER A 71 2.065 5.687 -5.475 1.00 10.00 C ATOM 1066 OG SER A 71 2.131 6.485 -4.316 1.00 10.00 O ATOM 0 H SER A 71 4.241 6.883 -5.219 1.00 10.00 H new ATOM 0 HA SER A 71 3.648 4.310 -5.059 1.00 10.00 H new ATOM 0 HB2 SER A 71 1.723 6.292 -6.315 1.00 10.00 H new ATOM 0 HB3 SER A 71 1.329 4.896 -5.331 1.00 10.00 H new ATOM 0 HG SER A 71 2.473 7.373 -4.549 1.00 10.00 H new ATOM 1072 N LYS A 72 3.246 5.149 -8.270 1.00 10.00 N ATOM 1073 CA LYS A 72 3.235 4.589 -9.618 1.00 10.00 C ATOM 1074 C LYS A 72 4.458 3.704 -9.895 1.00 10.00 C ATOM 1075 O LYS A 72 4.313 2.608 -10.428 1.00 10.00 O ATOM 1076 CB LYS A 72 3.113 5.719 -10.647 1.00 10.00 C ATOM 1077 CG LYS A 72 1.670 6.228 -10.720 1.00 10.00 C ATOM 1078 CD LYS A 72 1.094 5.884 -12.097 1.00 10.00 C ATOM 1079 CE LYS A 72 -0.425 6.097 -12.114 1.00 10.00 C ATOM 1080 NZ LYS A 72 -0.896 6.576 -13.429 1.00 10.00 N ATOM 0 H LYS A 72 3.148 6.164 -8.239 1.00 10.00 H new ATOM 0 HA LYS A 72 2.366 3.937 -9.704 1.00 10.00 H new ATOM 0 HB2 LYS A 72 3.780 6.538 -10.377 1.00 10.00 H new ATOM 0 HB3 LYS A 72 3.428 5.361 -11.627 1.00 10.00 H new ATOM 0 HG2 LYS A 72 1.068 5.771 -9.934 1.00 10.00 H new ATOM 0 HG3 LYS A 72 1.641 7.305 -10.557 1.00 10.00 H new ATOM 0 HD2 LYS A 72 1.563 6.506 -12.859 1.00 10.00 H new ATOM 0 HD3 LYS A 72 1.324 4.848 -12.345 1.00 10.00 H new ATOM 0 HE2 LYS A 72 -0.926 5.161 -11.867 1.00 10.00 H new ATOM 0 HE3 LYS A 72 -0.700 6.818 -11.344 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 -1.927 6.708 -13.401 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 -0.437 7.482 -13.653 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 -0.656 5.876 -14.160 1.00 10.00 H new ATOM 1094 N THR A 73 5.651 4.133 -9.492 1.00 10.00 N ATOM 1095 CA THR A 73 6.857 3.310 -9.558 1.00 10.00 C ATOM 1096 C THR A 73 6.715 2.005 -8.757 1.00 10.00 C ATOM 1097 O THR A 73 7.300 0.991 -9.133 1.00 10.00 O ATOM 1098 CB THR A 73 8.100 4.156 -9.193 1.00 10.00 C ATOM 1099 OG1 THR A 73 8.817 4.475 -10.369 1.00 10.00 O ATOM 1100 CG2 THR A 73 9.064 3.488 -8.209 1.00 10.00 C ATOM 0 H THR A 73 5.810 5.065 -9.109 1.00 10.00 H new ATOM 0 HA THR A 73 7.003 2.975 -10.585 1.00 10.00 H new ATOM 0 HB THR A 73 7.709 5.043 -8.695 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.603 5.012 -10.137 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.904 4.155 -8.013 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.543 3.277 -7.275 1.00 10.00 H new ATOM 0 HG23 THR A 73 9.433 2.556 -8.637 1.00 10.00 H new ATOM 1108 N PHE A 74 5.931 2.017 -7.676 1.00 10.00 N ATOM 1109 CA PHE A 74 5.637 0.839 -6.857 1.00 10.00 C ATOM 1110 C PHE A 74 4.389 0.093 -7.324 1.00 10.00 C ATOM 1111 O PHE A 74 4.033 -0.923 -6.724 1.00 10.00 O ATOM 1112 CB PHE A 74 5.453 1.231 -5.381 1.00 10.00 C ATOM 1113 CG PHE A 74 6.729 1.267 -4.574 1.00 10.00 C ATOM 1114 CD1 PHE A 74 7.506 0.099 -4.459 1.00 10.00 C ATOM 1115 CD2 PHE A 74 7.054 2.401 -3.811 1.00 10.00 C ATOM 1116 CE1 PHE A 74 8.663 0.096 -3.665 1.00 10.00 C ATOM 1117 CE2 PHE A 74 8.218 2.403 -3.028 1.00 10.00 C ATOM 1118 CZ PHE A 74 9.024 1.254 -2.960 1.00 10.00 C ATOM 0 H PHE A 74 5.473 2.864 -7.339 1.00 10.00 H new ATOM 0 HA PHE A 74 6.494 0.175 -6.967 1.00 10.00 H new ATOM 0 HB2 PHE A 74 4.983 2.213 -5.336 1.00 10.00 H new ATOM 0 HB3 PHE A 74 4.764 0.526 -4.915 1.00 10.00 H new ATOM 0 HD1 PHE A 74 7.211 -0.798 -4.984 1.00 10.00 H new ATOM 0 HD2 PHE A 74 6.410 3.268 -3.827 1.00 10.00 H new ATOM 0 HE1 PHE A 74 9.272 -0.793 -3.597 1.00 10.00 H new ATOM 0 HE2 PHE A 74 8.495 3.289 -2.476 1.00 10.00 H new ATOM 0 HZ PHE A 74 9.924 1.262 -2.363 1.00 10.00 H new ATOM 1128 N ILE A 75 3.686 0.592 -8.343 1.00 10.00 N ATOM 1129 CA ILE A 75 2.478 -0.067 -8.803 1.00 10.00 C ATOM 1130 C ILE A 75 2.836 -1.490 -9.239 1.00 10.00 C ATOM 1131 O ILE A 75 3.761 -1.681 -10.026 1.00 10.00 O ATOM 1132 CB ILE A 75 1.793 0.765 -9.898 1.00 10.00 C ATOM 1133 CG1 ILE A 75 0.285 0.736 -9.652 1.00 10.00 C ATOM 1134 CG2 ILE A 75 2.170 0.339 -11.322 1.00 10.00 C ATOM 1135 CD1 ILE A 75 -0.484 1.424 -10.767 1.00 10.00 C ATOM 0 H ILE A 75 3.934 1.439 -8.855 1.00 10.00 H new ATOM 0 HA ILE A 75 1.745 -0.145 -8.000 1.00 10.00 H new ATOM 0 HB ILE A 75 2.154 1.791 -9.831 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.049 -0.298 -9.565 1.00 10.00 H new ATOM 0 HG13 ILE A 75 0.062 1.224 -8.703 1.00 10.00 H new ATOM 0 HG21 ILE A 75 1.648 0.971 -12.041 1.00 10.00 H new ATOM 0 HG22 ILE A 75 3.246 0.444 -11.460 1.00 10.00 H new ATOM 0 HG23 ILE A 75 1.884 -0.701 -11.478 1.00 10.00 H new ATOM 0 HD11 ILE A 75 -1.552 1.381 -10.553 1.00 10.00 H new ATOM 0 HD12 ILE A 75 -0.170 2.465 -10.837 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.283 0.920 -11.712 1.00 10.00 H new ATOM 1147 N ILE A 76 2.125 -2.491 -8.722 1.00 10.00 N ATOM 1148 CA ILE A 76 2.333 -3.876 -9.137 1.00 10.00 C ATOM 1149 C ILE A 76 1.252 -4.312 -10.124 1.00 10.00 C ATOM 1150 O ILE A 76 1.416 -5.308 -10.824 1.00 10.00 O ATOM 1151 CB ILE A 76 2.451 -4.798 -7.916 1.00 10.00 C ATOM 1152 CG1 ILE A 76 1.365 -4.490 -6.875 1.00 10.00 C ATOM 1153 CG2 ILE A 76 3.857 -4.637 -7.317 1.00 10.00 C ATOM 1154 CD1 ILE A 76 1.224 -5.607 -5.845 1.00 10.00 C ATOM 0 H ILE A 76 1.400 -2.368 -8.015 1.00 10.00 H new ATOM 0 HA ILE A 76 3.281 -3.952 -9.669 1.00 10.00 H new ATOM 0 HB ILE A 76 2.302 -5.832 -8.226 1.00 10.00 H new ATOM 0 HG12 ILE A 76 1.605 -3.557 -6.366 1.00 10.00 H new ATOM 0 HG13 ILE A 76 0.411 -4.341 -7.380 1.00 10.00 H new ATOM 0 HG21 ILE A 76 3.958 -5.286 -6.447 1.00 10.00 H new ATOM 0 HG22 ILE A 76 4.604 -4.910 -8.063 1.00 10.00 H new ATOM 0 HG23 ILE A 76 4.008 -3.600 -7.016 1.00 10.00 H new ATOM 0 HD11 ILE A 76 0.445 -5.346 -5.129 1.00 10.00 H new ATOM 0 HD12 ILE A 76 0.957 -6.536 -6.349 1.00 10.00 H new ATOM 0 HD13 ILE A 76 2.170 -5.739 -5.320 1.00 10.00 H new ATOM 1166 N GLY A 77 0.156 -3.559 -10.213 1.00 10.00 N ATOM 1167 CA GLY A 77 -0.922 -3.836 -11.137 1.00 10.00 C ATOM 1168 C GLY A 77 -2.121 -3.021 -10.704 1.00 10.00 C ATOM 1169 O GLY A 77 -1.973 -1.885 -10.252 1.00 10.00 O ATOM 0 H GLY A 77 -0.002 -2.733 -9.636 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -0.630 -3.576 -12.154 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -1.162 -4.899 -11.137 1.00 10.00 H new ATOM 1173 N GLU A 78 -3.299 -3.623 -10.816 1.00 10.00 N ATOM 1174 CA GLU A 78 -4.551 -2.984 -10.488 1.00 10.00 C ATOM 1175 C GLU A 78 -5.441 -3.963 -9.735 1.00 10.00 C ATOM 1176 O GLU A 78 -5.152 -5.157 -9.631 1.00 10.00 O ATOM 1177 CB GLU A 78 -5.199 -2.442 -11.768 1.00 10.00 C ATOM 1178 CG GLU A 78 -5.022 -0.930 -11.905 1.00 10.00 C ATOM 1179 CD GLU A 78 -5.540 -0.399 -13.233 1.00 10.00 C ATOM 1180 OE1 GLU A 78 -5.528 -1.157 -14.221 1.00 10.00 O ATOM 1181 OE2 GLU A 78 -5.868 0.808 -13.234 1.00 10.00 O ATOM 0 H GLU A 78 -3.404 -4.583 -11.143 1.00 10.00 H new ATOM 0 HA GLU A 78 -4.388 -2.132 -9.828 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -4.761 -2.938 -12.634 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -6.262 -2.684 -11.766 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.545 -0.431 -11.089 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -3.966 -0.681 -11.805 1.00 10.00 H new ATOM 1188 N LEU A 79 -6.517 -3.421 -9.181 1.00 10.00 N ATOM 1189 CA LEU A 79 -7.529 -4.194 -8.492 1.00 10.00 C ATOM 1190 C LEU A 79 -8.228 -5.109 -9.500 1.00 10.00 C ATOM 1191 O LEU A 79 -8.564 -4.678 -10.604 1.00 10.00 O ATOM 1192 CB LEU A 79 -8.514 -3.210 -7.861 1.00 10.00 C ATOM 1193 CG LEU A 79 -9.707 -3.903 -7.195 1.00 10.00 C ATOM 1194 CD1 LEU A 79 -9.298 -4.533 -5.851 1.00 10.00 C ATOM 1195 CD2 LEU A 79 -10.882 -2.926 -7.075 1.00 10.00 C ATOM 0 H LEU A 79 -6.710 -2.420 -9.200 1.00 10.00 H new ATOM 0 HA LEU A 79 -7.095 -4.820 -7.713 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -7.991 -2.606 -7.119 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -8.879 -2.527 -8.628 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.044 -4.729 -7.822 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -10.163 -5.019 -5.399 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -8.514 -5.271 -6.019 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -8.927 -3.756 -5.183 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -11.725 -3.428 -6.600 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -10.583 -2.069 -6.471 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.175 -2.585 -8.068 1.00 10.00 H new ATOM 1207 N HIS A 80 -8.462 -6.365 -9.114 1.00 10.00 N ATOM 1208 CA HIS A 80 -9.170 -7.338 -9.936 1.00 10.00 C ATOM 1209 C HIS A 80 -10.521 -6.820 -10.441 1.00 10.00 C ATOM 1210 O HIS A 80 -11.285 -6.218 -9.685 1.00 10.00 O ATOM 1211 CB HIS A 80 -9.326 -8.640 -9.153 1.00 10.00 C ATOM 1212 CG HIS A 80 -9.540 -9.862 -9.998 1.00 10.00 C ATOM 1213 ND1 HIS A 80 -10.697 -10.593 -10.084 1.00 10.00 N ATOM 1214 CD2 HIS A 80 -8.580 -10.518 -10.721 1.00 10.00 C ATOM 1215 CE1 HIS A 80 -10.450 -11.650 -10.875 1.00 10.00 C ATOM 1216 NE2 HIS A 80 -9.173 -11.643 -11.295 1.00 10.00 N ATOM 0 H HIS A 80 -8.161 -6.735 -8.212 1.00 10.00 H new ATOM 0 HA HIS A 80 -8.574 -7.521 -10.830 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -8.435 -8.789 -8.543 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -10.168 -8.537 -8.468 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -7.548 -10.218 -10.828 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -11.178 -12.403 -11.138 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -8.727 -12.324 -11.910 1.00 10.00 H new ATOM 1224 N PRO A 81 -10.870 -7.098 -11.707 1.00 10.00 N ATOM 1225 CA PRO A 81 -12.142 -6.683 -12.263 1.00 10.00 C ATOM 1226 C PRO A 81 -13.345 -7.422 -11.659 1.00 10.00 C ATOM 1227 O PRO A 81 -14.474 -7.104 -12.019 1.00 10.00 O ATOM 1228 CB PRO A 81 -12.026 -6.871 -13.775 1.00 10.00 C ATOM 1229 CG PRO A 81 -10.906 -7.894 -13.960 1.00 10.00 C ATOM 1230 CD PRO A 81 -10.050 -7.761 -12.707 1.00 10.00 C ATOM 0 HA PRO A 81 -12.341 -5.641 -12.014 1.00 10.00 H new ATOM 0 HB2 PRO A 81 -12.963 -7.230 -14.201 1.00 10.00 H new ATOM 0 HB3 PRO A 81 -11.788 -5.931 -14.273 1.00 10.00 H new ATOM 0 HG2 PRO A 81 -11.305 -8.903 -14.062 1.00 10.00 H new ATOM 0 HG3 PRO A 81 -10.326 -7.688 -14.860 1.00 10.00 H new ATOM 0 HD2 PRO A 81 -9.726 -8.740 -12.354 1.00 10.00 H new ATOM 0 HD3 PRO A 81 -9.149 -7.183 -12.914 1.00 10.00 H new ATOM 1238 N ASP A 82 -13.110 -8.366 -10.738 1.00 10.00 N ATOM 1239 CA ASP A 82 -14.142 -9.118 -10.025 1.00 10.00 C ATOM 1240 C ASP A 82 -14.255 -8.680 -8.552 1.00 10.00 C ATOM 1241 O ASP A 82 -14.989 -9.297 -7.787 1.00 10.00 O ATOM 1242 CB ASP A 82 -13.820 -10.621 -10.151 1.00 10.00 C ATOM 1243 CG ASP A 82 -15.048 -11.500 -10.348 1.00 10.00 C ATOM 1244 OD1 ASP A 82 -15.858 -11.162 -11.236 1.00 10.00 O ATOM 1245 OD2 ASP A 82 -15.104 -12.545 -9.666 1.00 10.00 O ATOM 0 H ASP A 82 -12.165 -8.633 -10.462 1.00 10.00 H new ATOM 0 HA ASP A 82 -15.115 -8.914 -10.472 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -13.141 -10.768 -10.991 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -13.292 -10.946 -9.254 1.00 10.00 H new ATOM 1250 N ASP A 83 -13.506 -7.645 -8.140 1.00 10.00 N ATOM 1251 CA ASP A 83 -13.570 -7.084 -6.787 1.00 10.00 C ATOM 1252 C ASP A 83 -14.631 -5.980 -6.710 1.00 10.00 C ATOM 1253 O ASP A 83 -15.470 -5.990 -5.811 1.00 10.00 O ATOM 1254 CB ASP A 83 -12.179 -6.564 -6.397 1.00 10.00 C ATOM 1255 CG ASP A 83 -12.180 -5.630 -5.190 1.00 10.00 C ATOM 1256 OD1 ASP A 83 -12.739 -4.520 -5.286 1.00 10.00 O ATOM 1257 OD2 ASP A 83 -11.520 -6.011 -4.208 1.00 10.00 O ATOM 0 H ASP A 83 -12.834 -7.172 -8.744 1.00 10.00 H new ATOM 0 HA ASP A 83 -13.865 -7.858 -6.079 1.00 10.00 H new ATOM 0 HB2 ASP A 83 -11.531 -7.414 -6.185 1.00 10.00 H new ATOM 0 HB3 ASP A 83 -11.747 -6.039 -7.249 1.00 10.00 H new ATOM 1262 N ARG A 84 -14.531 -5.022 -7.639 1.00 10.00 N ATOM 1263 CA ARG A 84 -15.297 -3.781 -7.622 1.00 10.00 C ATOM 1264 C ARG A 84 -16.816 -3.990 -7.626 1.00 10.00 C ATOM 1265 O ARG A 84 -17.266 -5.046 -8.125 1.00 10.00 O ATOM 1266 CB ARG A 84 -14.885 -2.874 -8.792 1.00 10.00 C ATOM 1267 CG ARG A 84 -15.234 -3.447 -10.179 1.00 10.00 C ATOM 1268 CD ARG A 84 -14.079 -4.203 -10.841 1.00 10.00 C ATOM 1269 NE ARG A 84 -12.894 -3.356 -11.053 1.00 10.00 N ATOM 1270 CZ ARG A 84 -12.783 -2.427 -12.015 1.00 10.00 C ATOM 1271 NH1 ARG A 84 -13.792 -2.243 -12.875 1.00 10.00 N ATOM 1272 NH2 ARG A 84 -11.670 -1.692 -12.117 1.00 10.00 N ATOM 0 H ARG A 84 -13.901 -5.094 -8.438 1.00 10.00 H new ATOM 0 HA ARG A 84 -15.056 -3.297 -6.676 1.00 10.00 H new ATOM 0 HB2 ARG A 84 -15.372 -1.905 -8.677 1.00 10.00 H new ATOM 0 HB3 ARG A 84 -13.810 -2.699 -8.742 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -16.087 -4.118 -10.081 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -15.544 -2.631 -10.832 1.00 10.00 H new ATOM 0 HD2 ARG A 84 -13.805 -5.056 -10.220 1.00 10.00 H new ATOM 0 HD3 ARG A 84 -14.412 -4.601 -11.799 1.00 10.00 H new ATOM 0 HE ARG A 84 -12.101 -3.484 -10.424 1.00 10.00 H new ATOM 0 HH11 ARG A 84 -14.638 -2.807 -12.797 1.00 10.00 H new ATOM 0 HH12 ARG A 84 -13.715 -1.539 -13.609 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -10.902 -1.837 -11.462 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -11.590 -0.987 -12.850 1.00 10.00 H new