USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 618 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 26 HIS : no HE2:sc= -17.2! C(o=-19!,f=-28!) USER MOD Set 1.2: B 30 HIS : no HE2:sc= -1.5 K(o=-19,f=-21!) USER MOD Set 2.1: A 30 HIS : no HE2:sc= -1.47 K(o=-19,f=-21!) USER MOD Set 2.2: B 26 HIS : no HE2:sc= -17.2! C(o=-19!,f=-28!) USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.00526 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -121:sc= -0.0246 (180deg=-0.452) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 136:sc= 0.00539 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ -110:sc= -0.0127 (180deg=-0.428) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 43.644 9.145 -2.514 1.00 0.00 N ATOM 2 CA GLY A 1 42.194 9.034 -2.185 1.00 0.00 C ATOM 3 C GLY A 1 42.004 8.037 -1.040 1.00 0.00 C ATOM 4 O GLY A 1 42.582 6.969 -1.032 1.00 0.00 O ATOM 0 H1 GLY A 1 43.758 9.287 -3.538 1.00 0.00 H new ATOM 0 H2 GLY A 1 44.055 9.953 -2.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 44.132 8.272 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 1 41.799 10.009 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 1 41.635 8.707 -3.062 1.00 0.00 H new ATOM 10 N GLU A 2 41.197 8.378 -0.072 1.00 0.00 N ATOM 11 CA GLU A 2 40.970 7.449 1.072 1.00 0.00 C ATOM 12 C GLU A 2 39.820 6.489 0.753 1.00 0.00 C ATOM 13 O GLU A 2 39.791 5.366 1.214 1.00 0.00 O ATOM 14 CB GLU A 2 40.605 8.353 2.250 1.00 0.00 C ATOM 15 CG GLU A 2 41.755 9.324 2.524 1.00 0.00 C ATOM 16 CD GLU A 2 41.296 10.753 2.232 1.00 0.00 C ATOM 17 OE1 GLU A 2 40.424 10.915 1.394 1.00 0.00 O ATOM 18 OE2 GLU A 2 41.825 11.662 2.851 1.00 0.00 O ATOM 0 H GLU A 2 40.685 9.259 -0.024 1.00 0.00 H new ATOM 0 HA GLU A 2 41.845 6.835 1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 2 39.693 8.907 2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 2 40.405 7.751 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 2 42.077 9.239 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 2 42.614 9.072 1.902 1.00 0.00 H new ATOM 25 N VAL A 3 38.874 6.924 -0.033 1.00 0.00 N ATOM 26 CA VAL A 3 37.726 6.038 -0.382 1.00 0.00 C ATOM 27 C VAL A 3 38.213 4.837 -1.197 1.00 0.00 C ATOM 28 O VAL A 3 37.567 3.810 -1.254 1.00 0.00 O ATOM 29 CB VAL A 3 36.795 6.909 -1.224 1.00 0.00 C ATOM 30 CG1 VAL A 3 37.531 7.377 -2.481 1.00 0.00 C ATOM 31 CG2 VAL A 3 35.566 6.093 -1.628 1.00 0.00 C ATOM 0 H VAL A 3 38.846 7.855 -0.449 1.00 0.00 H new ATOM 0 HA VAL A 3 37.228 5.643 0.503 1.00 0.00 H new ATOM 0 HB VAL A 3 36.483 7.777 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 3 36.867 7.998 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 3 38.409 7.956 -2.194 1.00 0.00 H new ATOM 0 HG13 VAL A 3 37.843 6.510 -3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.900 6.712 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 3 35.880 5.227 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.041 5.758 -0.733 1.00 0.00 H new ATOM 41 N GLU A 4 39.346 4.961 -1.830 1.00 0.00 N ATOM 42 CA GLU A 4 39.875 3.830 -2.645 1.00 0.00 C ATOM 43 C GLU A 4 40.047 2.577 -1.780 1.00 0.00 C ATOM 44 O GLU A 4 40.146 1.475 -2.282 1.00 0.00 O ATOM 45 CB GLU A 4 41.233 4.313 -3.153 1.00 0.00 C ATOM 46 CG GLU A 4 41.287 4.176 -4.676 1.00 0.00 C ATOM 47 CD GLU A 4 42.747 4.145 -5.133 1.00 0.00 C ATOM 48 OE1 GLU A 4 43.412 5.159 -4.995 1.00 0.00 O ATOM 49 OE2 GLU A 4 43.175 3.109 -5.614 1.00 0.00 O ATOM 0 H GLU A 4 39.930 5.797 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 4 39.200 3.562 -3.458 1.00 0.00 H new ATOM 0 HB2 GLU A 4 41.392 5.352 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 4 42.032 3.730 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 4 40.777 3.264 -4.988 1.00 0.00 H new ATOM 0 HG3 GLU A 4 40.765 5.010 -5.146 1.00 0.00 H new ATOM 56 N GLU A 5 40.090 2.735 -0.485 1.00 0.00 N ATOM 57 CA GLU A 5 40.264 1.549 0.402 1.00 0.00 C ATOM 58 C GLU A 5 38.946 0.784 0.539 1.00 0.00 C ATOM 59 O GLU A 5 38.889 -0.410 0.326 1.00 0.00 O ATOM 60 CB GLU A 5 40.696 2.123 1.750 1.00 0.00 C ATOM 61 CG GLU A 5 42.119 1.658 2.068 1.00 0.00 C ATOM 62 CD GLU A 5 42.371 1.779 3.571 1.00 0.00 C ATOM 63 OE1 GLU A 5 41.419 1.656 4.324 1.00 0.00 O ATOM 64 OE2 GLU A 5 43.513 1.991 3.945 1.00 0.00 O ATOM 0 H GLU A 5 40.012 3.631 -0.004 1.00 0.00 H new ATOM 0 HA GLU A 5 40.995 0.844 0.006 1.00 0.00 H new ATOM 0 HB2 GLU A 5 40.655 3.212 1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 5 40.011 1.797 2.533 1.00 0.00 H new ATOM 0 HG2 GLU A 5 42.256 0.625 1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 5 42.841 2.261 1.518 1.00 0.00 H new ATOM 71 N LEU A 6 37.885 1.457 0.894 1.00 0.00 N ATOM 72 CA LEU A 6 36.582 0.749 1.038 1.00 0.00 C ATOM 73 C LEU A 6 36.131 0.229 -0.335 1.00 0.00 C ATOM 74 O LEU A 6 35.436 -0.759 -0.436 1.00 0.00 O ATOM 75 CB LEU A 6 35.619 1.803 1.652 1.00 0.00 C ATOM 76 CG LEU A 6 34.515 2.245 0.671 1.00 0.00 C ATOM 77 CD1 LEU A 6 33.463 1.140 0.546 1.00 0.00 C ATOM 78 CD2 LEU A 6 33.844 3.516 1.200 1.00 0.00 C ATOM 0 H LEU A 6 37.864 2.458 1.089 1.00 0.00 H new ATOM 0 HA LEU A 6 36.624 -0.130 1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 6 35.158 1.389 2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 6 36.193 2.676 1.963 1.00 0.00 H new ATOM 0 HG LEU A 6 34.959 2.439 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 6 32.684 1.456 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 6 33.934 0.230 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 6 33.021 0.946 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 6 33.063 3.830 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 6 33.404 3.315 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 6 34.587 4.308 1.293 1.00 0.00 H new ATOM 90 N GLU A 7 36.540 0.886 -1.387 1.00 0.00 N ATOM 91 CA GLU A 7 36.153 0.436 -2.757 1.00 0.00 C ATOM 92 C GLU A 7 36.813 -0.905 -3.080 1.00 0.00 C ATOM 93 O GLU A 7 36.161 -1.860 -3.471 1.00 0.00 O ATOM 94 CB GLU A 7 36.687 1.520 -3.691 1.00 0.00 C ATOM 95 CG GLU A 7 35.996 1.409 -5.052 1.00 0.00 C ATOM 96 CD GLU A 7 36.935 0.725 -6.048 1.00 0.00 C ATOM 97 OE1 GLU A 7 37.804 1.400 -6.573 1.00 0.00 O ATOM 98 OE2 GLU A 7 36.768 -0.463 -6.268 1.00 0.00 O ATOM 0 H GLU A 7 37.128 1.719 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 7 35.076 0.297 -2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 7 36.509 2.505 -3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 7 37.765 1.414 -3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 7 35.072 0.839 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 7 35.723 2.400 -5.415 1.00 0.00 H new ATOM 105 N LYS A 8 38.107 -0.982 -2.926 1.00 0.00 N ATOM 106 CA LYS A 8 38.813 -2.257 -3.228 1.00 0.00 C ATOM 107 C LYS A 8 38.263 -3.373 -2.351 1.00 0.00 C ATOM 108 O LYS A 8 37.894 -4.419 -2.832 1.00 0.00 O ATOM 109 CB LYS A 8 40.285 -1.990 -2.915 1.00 0.00 C ATOM 110 CG LYS A 8 41.103 -2.076 -4.205 1.00 0.00 C ATOM 111 CD LYS A 8 40.973 -0.764 -4.981 1.00 0.00 C ATOM 112 CE LYS A 8 41.741 -0.872 -6.300 1.00 0.00 C ATOM 113 NZ LYS A 8 40.883 -1.722 -7.173 1.00 0.00 N ATOM 0 H LYS A 8 38.703 -0.219 -2.605 1.00 0.00 H new ATOM 0 HA LYS A 8 38.679 -2.571 -4.263 1.00 0.00 H new ATOM 0 HB2 LYS A 8 40.399 -1.004 -2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 8 40.652 -2.717 -2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 8 42.150 -2.271 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 8 40.752 -2.908 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 8 39.923 -0.547 -5.176 1.00 0.00 H new ATOM 0 HD3 LYS A 8 41.364 0.062 -4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 8 41.906 0.110 -6.743 1.00 0.00 H new ATOM 0 HE3 LYS A 8 42.722 -1.323 -6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 41.414 -2.568 -7.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 40.032 -2.011 -6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 40.603 -1.182 -8.016 1.00 0.00 H new ATOM 127 N LYS A 9 38.184 -3.155 -1.071 1.00 0.00 N ATOM 128 CA LYS A 9 37.629 -4.210 -0.180 1.00 0.00 C ATOM 129 C LYS A 9 36.199 -4.532 -0.621 1.00 0.00 C ATOM 130 O LYS A 9 35.675 -5.594 -0.351 1.00 0.00 O ATOM 131 CB LYS A 9 37.641 -3.593 1.218 1.00 0.00 C ATOM 132 CG LYS A 9 38.966 -3.920 1.910 1.00 0.00 C ATOM 133 CD LYS A 9 38.844 -5.255 2.645 1.00 0.00 C ATOM 134 CE LYS A 9 39.695 -5.218 3.916 1.00 0.00 C ATOM 135 NZ LYS A 9 40.791 -6.198 3.671 1.00 0.00 N ATOM 0 H LYS A 9 38.478 -2.297 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 9 38.199 -5.139 -0.209 1.00 0.00 H new ATOM 0 HB2 LYS A 9 37.510 -2.513 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 9 36.807 -3.979 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 9 39.769 -3.970 1.175 1.00 0.00 H new ATOM 0 HG3 LYS A 9 39.226 -3.129 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 9 37.802 -5.449 2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 9 39.172 -6.069 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 9 40.091 -4.219 4.097 1.00 0.00 H new ATOM 0 HE3 LYS A 9 39.108 -5.492 4.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 41.419 -6.231 4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 40.384 -7.141 3.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 41.336 -5.907 2.834 1.00 0.00 H new ATOM 149 N PHE A 10 35.569 -3.610 -1.298 1.00 0.00 N ATOM 150 CA PHE A 10 34.173 -3.833 -1.768 1.00 0.00 C ATOM 151 C PHE A 10 34.106 -4.976 -2.784 1.00 0.00 C ATOM 152 O PHE A 10 33.512 -6.008 -2.535 1.00 0.00 O ATOM 153 CB PHE A 10 33.780 -2.514 -2.439 1.00 0.00 C ATOM 154 CG PHE A 10 32.292 -2.316 -2.344 1.00 0.00 C ATOM 155 CD1 PHE A 10 31.706 -1.960 -1.111 1.00 0.00 C ATOM 156 CD2 PHE A 10 31.485 -2.481 -3.492 1.00 0.00 C ATOM 157 CE1 PHE A 10 30.312 -1.767 -1.024 1.00 0.00 C ATOM 158 CE2 PHE A 10 30.090 -2.289 -3.406 1.00 0.00 C ATOM 159 CZ PHE A 10 29.505 -1.931 -2.170 1.00 0.00 C ATOM 0 H PHE A 10 35.966 -2.704 -1.547 1.00 0.00 H new ATOM 0 HA PHE A 10 33.509 -4.109 -0.948 1.00 0.00 H new ATOM 0 HB2 PHE A 10 34.298 -1.683 -1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 10 34.089 -2.521 -3.484 1.00 0.00 H new ATOM 0 HD1 PHE A 10 32.325 -1.835 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 10 31.936 -2.754 -4.435 1.00 0.00 H new ATOM 0 HE1 PHE A 10 29.862 -1.494 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 10 29.471 -2.415 -4.282 1.00 0.00 H new ATOM 0 HZ PHE A 10 28.437 -1.783 -2.102 1.00 0.00 H new ATOM 169 N LYS A 11 34.696 -4.796 -3.933 1.00 0.00 N ATOM 170 CA LYS A 11 34.635 -5.870 -4.967 1.00 0.00 C ATOM 171 C LYS A 11 35.400 -7.111 -4.507 1.00 0.00 C ATOM 172 O LYS A 11 35.079 -8.225 -4.875 1.00 0.00 O ATOM 173 CB LYS A 11 35.284 -5.257 -6.202 1.00 0.00 C ATOM 174 CG LYS A 11 35.342 -6.300 -7.319 1.00 0.00 C ATOM 175 CD LYS A 11 33.937 -6.515 -7.885 1.00 0.00 C ATOM 176 CE LYS A 11 33.888 -6.020 -9.331 1.00 0.00 C ATOM 177 NZ LYS A 11 32.721 -6.723 -9.936 1.00 0.00 N ATOM 0 H LYS A 11 35.214 -3.959 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 11 33.614 -6.198 -5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.715 -4.387 -6.531 1.00 0.00 H new ATOM 0 HB3 LYS A 11 36.289 -4.909 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 11 36.017 -5.968 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 11 35.739 -7.239 -6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.674 -7.572 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.204 -5.980 -7.281 1.00 0.00 H new ATOM 0 HE2 LYS A 11 33.764 -4.938 -9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 11 34.810 -6.256 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.620 -6.436 -10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.871 -7.751 -9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.857 -6.473 -9.414 1.00 0.00 H new ATOM 191 N GLU A 12 36.402 -6.928 -3.702 1.00 0.00 N ATOM 192 CA GLU A 12 37.185 -8.094 -3.210 1.00 0.00 C ATOM 193 C GLU A 12 36.380 -8.851 -2.157 1.00 0.00 C ATOM 194 O GLU A 12 36.601 -10.021 -1.917 1.00 0.00 O ATOM 195 CB GLU A 12 38.448 -7.496 -2.591 1.00 0.00 C ATOM 196 CG GLU A 12 39.573 -7.491 -3.628 1.00 0.00 C ATOM 197 CD GLU A 12 40.877 -7.044 -2.964 1.00 0.00 C ATOM 198 OE1 GLU A 12 41.030 -5.853 -2.747 1.00 0.00 O ATOM 199 OE2 GLU A 12 41.699 -7.900 -2.683 1.00 0.00 O ATOM 0 H GLU A 12 36.716 -6.019 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 12 37.421 -8.801 -4.006 1.00 0.00 H new ATOM 0 HB2 GLU A 12 38.251 -6.480 -2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 12 38.747 -8.076 -1.718 1.00 0.00 H new ATOM 0 HG2 GLU A 12 39.693 -8.487 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 12 39.322 -6.820 -4.449 1.00 0.00 H new ATOM 206 N LEU A 13 35.443 -8.195 -1.529 1.00 0.00 N ATOM 207 CA LEU A 13 34.625 -8.886 -0.497 1.00 0.00 C ATOM 208 C LEU A 13 33.558 -9.749 -1.173 1.00 0.00 C ATOM 209 O LEU A 13 33.295 -10.861 -0.760 1.00 0.00 O ATOM 210 CB LEU A 13 33.993 -7.765 0.326 1.00 0.00 C ATOM 211 CG LEU A 13 34.882 -7.469 1.536 1.00 0.00 C ATOM 212 CD1 LEU A 13 34.519 -6.103 2.117 1.00 0.00 C ATOM 213 CD2 LEU A 13 34.670 -8.546 2.602 1.00 0.00 C ATOM 0 H LEU A 13 35.210 -7.214 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 13 35.215 -9.553 0.131 1.00 0.00 H new ATOM 0 HB2 LEU A 13 33.878 -6.869 -0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 13 32.995 -8.056 0.655 1.00 0.00 H new ATOM 0 HG LEU A 13 35.926 -7.465 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 13 35.153 -5.894 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 13 34.670 -5.334 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 13 33.474 -6.106 2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 13 35.303 -8.335 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 13 33.625 -8.550 2.912 1.00 0.00 H new ATOM 0 HD23 LEU A 13 34.930 -9.521 2.191 1.00 0.00 H new ATOM 225 N TRP A 14 32.951 -9.255 -2.218 1.00 0.00 N ATOM 226 CA TRP A 14 31.914 -10.067 -2.923 1.00 0.00 C ATOM 227 C TRP A 14 32.559 -11.311 -3.528 1.00 0.00 C ATOM 228 O TRP A 14 32.061 -12.412 -3.401 1.00 0.00 O ATOM 229 CB TRP A 14 31.383 -9.168 -4.036 1.00 0.00 C ATOM 230 CG TRP A 14 30.012 -8.701 -3.687 1.00 0.00 C ATOM 231 CD1 TRP A 14 28.874 -9.430 -3.806 1.00 0.00 C ATOM 232 CD2 TRP A 14 29.618 -7.414 -3.157 1.00 0.00 C ATOM 233 NE1 TRP A 14 27.805 -8.663 -3.385 1.00 0.00 N ATOM 234 CE2 TRP A 14 28.209 -7.412 -2.973 1.00 0.00 C ATOM 235 CE3 TRP A 14 30.344 -6.247 -2.819 1.00 0.00 C ATOM 236 CZ2 TRP A 14 27.541 -6.289 -2.468 1.00 0.00 C ATOM 237 CZ3 TRP A 14 29.679 -5.115 -2.309 1.00 0.00 C ATOM 238 CH2 TRP A 14 28.280 -5.134 -2.132 1.00 0.00 C ATOM 0 H TRP A 14 33.125 -8.331 -2.613 1.00 0.00 H new ATOM 0 HA TRP A 14 31.122 -10.394 -2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 14 32.045 -8.313 -4.175 1.00 0.00 H new ATOM 0 HB3 TRP A 14 31.364 -9.713 -4.980 1.00 0.00 H new ATOM 0 HD1 TRP A 14 28.814 -10.445 -4.171 1.00 0.00 H new ATOM 0 HE1 TRP A 14 26.837 -8.983 -3.380 1.00 0.00 H new ATOM 0 HE3 TRP A 14 31.415 -6.224 -2.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 26.469 -6.307 -2.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 30.242 -4.230 -2.053 1.00 0.00 H new ATOM 0 HH2 TRP A 14 27.774 -4.265 -1.739 1.00 0.00 H new ATOM 249 N LYS A 15 33.666 -11.135 -4.192 1.00 0.00 N ATOM 250 CA LYS A 15 34.355 -12.294 -4.818 1.00 0.00 C ATOM 251 C LYS A 15 35.581 -12.682 -3.987 1.00 0.00 C ATOM 252 O LYS A 15 36.710 -12.483 -4.390 1.00 0.00 O ATOM 253 CB LYS A 15 34.757 -11.786 -6.201 1.00 0.00 C ATOM 254 CG LYS A 15 35.556 -12.864 -6.938 1.00 0.00 C ATOM 255 CD LYS A 15 34.604 -13.719 -7.778 1.00 0.00 C ATOM 256 CE LYS A 15 35.191 -13.909 -9.178 1.00 0.00 C ATOM 257 NZ LYS A 15 34.305 -14.916 -9.829 1.00 0.00 N ATOM 0 H LYS A 15 34.124 -10.234 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 15 33.731 -13.186 -4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 15 33.868 -11.524 -6.775 1.00 0.00 H new ATOM 0 HB3 LYS A 15 35.354 -10.879 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 15 36.307 -12.401 -7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 15 36.089 -13.490 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 15 34.451 -14.687 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 15 33.628 -13.238 -7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 15 35.200 -12.971 -9.734 1.00 0.00 H new ATOM 0 HE3 LYS A 15 36.222 -14.261 -9.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 34.642 -15.101 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 34.322 -15.800 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 33.332 -14.550 -9.866 1.00 0.00 H new ATOM 271 N GLY A 16 35.360 -13.231 -2.824 1.00 0.00 N ATOM 272 CA GLY A 16 36.497 -13.633 -1.949 1.00 0.00 C ATOM 273 C GLY A 16 35.941 -14.149 -0.617 1.00 0.00 C ATOM 274 O GLY A 16 35.619 -15.314 -0.491 1.00 0.00 O ATOM 0 H GLY A 16 34.434 -13.419 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 16 37.091 -14.407 -2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 16 37.159 -12.784 -1.778 1.00 0.00 H new ATOM 278 N PRO A 17 35.837 -13.257 0.336 1.00 0.00 N ATOM 279 CA PRO A 17 35.304 -13.627 1.668 1.00 0.00 C ATOM 280 C PRO A 17 33.776 -13.736 1.594 1.00 0.00 C ATOM 281 O PRO A 17 33.217 -13.923 0.531 1.00 0.00 O ATOM 282 CB PRO A 17 35.734 -12.461 2.557 1.00 0.00 C ATOM 283 CG PRO A 17 35.891 -11.295 1.632 1.00 0.00 C ATOM 284 CD PRO A 17 36.205 -11.839 0.260 1.00 0.00 C ATOM 0 HA PRO A 17 35.666 -14.586 2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 17 34.988 -12.256 3.325 1.00 0.00 H new ATOM 0 HB3 PRO A 17 36.669 -12.683 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 17 34.978 -10.700 1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 17 36.691 -10.639 1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 17 35.636 -11.322 -0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 17 37.260 -11.715 0.015 1.00 0.00 H new ATOM 292 N ARG A 18 33.094 -13.619 2.705 1.00 0.00 N ATOM 293 CA ARG A 18 31.602 -13.711 2.682 1.00 0.00 C ATOM 294 C ARG A 18 31.029 -12.819 1.568 1.00 0.00 C ATOM 295 O ARG A 18 31.740 -12.050 0.952 1.00 0.00 O ATOM 296 CB ARG A 18 31.149 -13.241 4.081 1.00 0.00 C ATOM 297 CG ARG A 18 31.092 -11.704 4.168 1.00 0.00 C ATOM 298 CD ARG A 18 32.501 -11.119 4.044 1.00 0.00 C ATOM 299 NE ARG A 18 33.273 -11.719 5.173 1.00 0.00 N ATOM 300 CZ ARG A 18 32.935 -11.460 6.408 1.00 0.00 C ATOM 301 NH1 ARG A 18 32.536 -10.262 6.737 1.00 0.00 N ATOM 302 NH2 ARG A 18 32.996 -12.399 7.312 1.00 0.00 N ATOM 0 H ARG A 18 33.505 -13.464 3.626 1.00 0.00 H new ATOM 0 HA ARG A 18 31.248 -14.720 2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 18 30.166 -13.656 4.305 1.00 0.00 H new ATOM 0 HB3 ARG A 18 31.836 -13.624 4.835 1.00 0.00 H new ATOM 0 HG2 ARG A 18 30.455 -11.310 3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 18 30.646 -11.402 5.116 1.00 0.00 H new ATOM 0 HD2 ARG A 18 32.949 -11.371 3.083 1.00 0.00 H new ATOM 0 HD3 ARG A 18 32.484 -10.031 4.113 1.00 0.00 H new ATOM 0 HE ARG A 18 34.065 -12.332 4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 18 32.488 -9.528 6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 18 32.272 -10.059 7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 18 33.308 -13.335 7.054 1.00 0.00 H new ATOM 0 HH22 ARG A 18 32.732 -12.197 8.276 1.00 0.00 H new ATOM 316 N ARG A 19 29.756 -12.913 1.306 1.00 0.00 N ATOM 317 CA ARG A 19 29.163 -12.064 0.235 1.00 0.00 C ATOM 318 C ARG A 19 27.797 -11.525 0.672 1.00 0.00 C ATOM 319 O ARG A 19 27.531 -10.345 0.585 1.00 0.00 O ATOM 320 CB ARG A 19 29.013 -12.992 -0.970 1.00 0.00 C ATOM 321 CG ARG A 19 28.430 -12.209 -2.148 1.00 0.00 C ATOM 322 CD ARG A 19 27.465 -13.104 -2.929 1.00 0.00 C ATOM 323 NE ARG A 19 28.300 -13.730 -3.993 1.00 0.00 N ATOM 324 CZ ARG A 19 27.873 -13.759 -5.225 1.00 0.00 C ATOM 325 NH1 ARG A 19 26.635 -14.086 -5.479 1.00 0.00 N ATOM 326 NH2 ARG A 19 28.683 -13.463 -6.204 1.00 0.00 N ATOM 0 H ARG A 19 29.104 -13.536 1.783 1.00 0.00 H new ATOM 0 HA ARG A 19 29.784 -11.197 0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 19 29.982 -13.411 -1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 19 28.362 -13.830 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 19 27.909 -11.323 -1.787 1.00 0.00 H new ATOM 0 HG3 ARG A 19 29.231 -11.864 -2.801 1.00 0.00 H new ATOM 0 HD2 ARG A 19 27.016 -13.859 -2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 19 26.648 -12.524 -3.358 1.00 0.00 H new ATOM 0 HE ARG A 19 29.206 -14.136 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 19 26.002 -14.319 -4.714 1.00 0.00 H new ATOM 0 HH12 ARG A 19 26.301 -14.109 -6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 19 29.651 -13.209 -6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 19 28.348 -13.486 -7.167 1.00 0.00 H new ATOM 340 N GLY A 20 26.929 -12.381 1.134 1.00 0.00 N ATOM 341 CA GLY A 20 25.582 -11.914 1.569 1.00 0.00 C ATOM 342 C GLY A 20 25.730 -10.802 2.611 1.00 0.00 C ATOM 343 O GLY A 20 24.983 -9.844 2.618 1.00 0.00 O ATOM 0 H GLY A 20 27.093 -13.383 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 20 25.019 -11.548 0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 20 25.017 -12.746 1.989 1.00 0.00 H new ATOM 347 N GLU A 21 26.685 -10.920 3.492 1.00 0.00 N ATOM 348 CA GLU A 21 26.874 -9.867 4.532 1.00 0.00 C ATOM 349 C GLU A 21 27.366 -8.568 3.889 1.00 0.00 C ATOM 350 O GLU A 21 27.030 -7.483 4.322 1.00 0.00 O ATOM 351 CB GLU A 21 27.930 -10.433 5.481 1.00 0.00 C ATOM 352 CG GLU A 21 27.241 -11.062 6.694 1.00 0.00 C ATOM 353 CD GLU A 21 27.737 -10.382 7.971 1.00 0.00 C ATOM 354 OE1 GLU A 21 28.898 -10.559 8.302 1.00 0.00 O ATOM 355 OE2 GLU A 21 26.947 -9.695 8.598 1.00 0.00 O ATOM 0 H GLU A 21 27.342 -11.699 3.538 1.00 0.00 H new ATOM 0 HA GLU A 21 25.946 -9.629 5.052 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.535 -11.179 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.606 -9.641 5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.160 -10.954 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.453 -12.131 6.732 1.00 0.00 H new ATOM 362 N ILE A 22 28.158 -8.667 2.856 1.00 0.00 N ATOM 363 CA ILE A 22 28.666 -7.435 2.187 1.00 0.00 C ATOM 364 C ILE A 22 27.510 -6.684 1.529 1.00 0.00 C ATOM 365 O ILE A 22 27.237 -5.543 1.843 1.00 0.00 O ATOM 366 CB ILE A 22 29.648 -7.934 1.128 1.00 0.00 C ATOM 367 CG1 ILE A 22 30.772 -8.722 1.802 1.00 0.00 C ATOM 368 CG2 ILE A 22 30.236 -6.739 0.376 1.00 0.00 C ATOM 369 CD1 ILE A 22 31.537 -7.808 2.761 1.00 0.00 C ATOM 0 H ILE A 22 28.475 -9.546 2.447 1.00 0.00 H new ATOM 0 HA ILE A 22 29.139 -6.748 2.889 1.00 0.00 H new ATOM 0 HB ILE A 22 29.126 -8.583 0.425 1.00 0.00 H new ATOM 0 HG12 ILE A 22 30.359 -9.572 2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 22 31.450 -9.124 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 22 30.937 -7.094 -0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 22 29.433 -6.182 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 22 30.758 -6.088 1.078 1.00 0.00 H new ATOM 0 HD11 ILE A 22 32.337 -8.372 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 22 31.964 -6.973 2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 22 30.856 -7.427 3.522 1.00 0.00 H new ATOM 381 N GLU A 23 26.827 -7.318 0.619 1.00 0.00 N ATOM 382 CA GLU A 23 25.687 -6.650 -0.057 1.00 0.00 C ATOM 383 C GLU A 23 24.672 -6.179 0.988 1.00 0.00 C ATOM 384 O GLU A 23 24.030 -5.156 0.829 1.00 0.00 O ATOM 385 CB GLU A 23 25.113 -7.728 -0.978 1.00 0.00 C ATOM 386 CG GLU A 23 23.938 -7.164 -1.769 1.00 0.00 C ATOM 387 CD GLU A 23 22.643 -7.843 -1.319 1.00 0.00 C ATOM 388 OE1 GLU A 23 22.567 -9.056 -1.419 1.00 0.00 O ATOM 389 OE2 GLU A 23 21.749 -7.138 -0.881 1.00 0.00 O ATOM 0 H GLU A 23 27.012 -8.274 0.315 1.00 0.00 H new ATOM 0 HA GLU A 23 25.971 -5.761 -0.620 1.00 0.00 H new ATOM 0 HB2 GLU A 23 25.885 -8.084 -1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 23 24.788 -8.586 -0.389 1.00 0.00 H new ATOM 0 HG2 GLU A 23 23.868 -6.087 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 23 24.094 -7.326 -2.836 1.00 0.00 H new ATOM 396 N GLU A 24 24.543 -6.892 2.073 1.00 0.00 N ATOM 397 CA GLU A 24 23.595 -6.449 3.130 1.00 0.00 C ATOM 398 C GLU A 24 24.022 -5.066 3.616 1.00 0.00 C ATOM 399 O GLU A 24 23.212 -4.184 3.831 1.00 0.00 O ATOM 400 CB GLU A 24 23.725 -7.483 4.250 1.00 0.00 C ATOM 401 CG GLU A 24 22.785 -7.111 5.399 1.00 0.00 C ATOM 402 CD GLU A 24 21.344 -7.071 4.887 1.00 0.00 C ATOM 403 OE1 GLU A 24 20.956 -6.049 4.346 1.00 0.00 O ATOM 404 OE2 GLU A 24 20.652 -8.064 5.046 1.00 0.00 O ATOM 0 H GLU A 24 25.049 -7.755 2.271 1.00 0.00 H new ATOM 0 HA GLU A 24 22.565 -6.379 2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 24 23.481 -8.476 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 24 24.754 -7.522 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 24 22.875 -7.838 6.206 1.00 0.00 H new ATOM 0 HG3 GLU A 24 23.063 -6.141 5.811 1.00 0.00 H new ATOM 411 N LEU A 25 25.302 -4.871 3.770 1.00 0.00 N ATOM 412 CA LEU A 25 25.809 -3.546 4.221 1.00 0.00 C ATOM 413 C LEU A 25 25.600 -2.511 3.116 1.00 0.00 C ATOM 414 O LEU A 25 25.484 -1.333 3.375 1.00 0.00 O ATOM 415 CB LEU A 25 27.303 -3.746 4.483 1.00 0.00 C ATOM 416 CG LEU A 25 27.623 -3.448 5.954 1.00 0.00 C ATOM 417 CD1 LEU A 25 29.140 -3.452 6.150 1.00 0.00 C ATOM 418 CD2 LEU A 25 27.069 -2.073 6.345 1.00 0.00 C ATOM 0 H LEU A 25 26.021 -5.575 3.602 1.00 0.00 H new ATOM 0 HA LEU A 25 25.290 -3.189 5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 25 27.589 -4.769 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 25 27.885 -3.090 3.836 1.00 0.00 H new ATOM 0 HG LEU A 25 27.163 -4.211 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 25 29.373 -3.241 7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 25 29.539 -4.430 5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 25 29.591 -2.688 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 25 27.301 -1.871 7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 25 27.523 -1.306 5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 25 25.988 -2.063 6.205 1.00 0.00 H new ATOM 430 N HIS A 26 25.543 -2.945 1.884 1.00 0.00 N ATOM 431 CA HIS A 26 25.327 -1.979 0.768 1.00 0.00 C ATOM 432 C HIS A 26 23.912 -1.411 0.872 1.00 0.00 C ATOM 433 O HIS A 26 23.657 -0.278 0.518 1.00 0.00 O ATOM 434 CB HIS A 26 25.514 -2.783 -0.518 1.00 0.00 C ATOM 435 CG HIS A 26 25.160 -1.921 -1.698 1.00 0.00 C ATOM 436 ND1 HIS A 26 26.001 -0.927 -2.172 1.00 0.00 N ATOM 437 CD2 HIS A 26 24.052 -1.890 -2.502 1.00 0.00 C ATOM 438 CE1 HIS A 26 25.388 -0.344 -3.218 1.00 0.00 C ATOM 439 NE2 HIS A 26 24.196 -0.894 -3.462 1.00 0.00 N ATOM 0 H HIS A 26 25.636 -3.921 1.604 1.00 0.00 H new ATOM 0 HA HIS A 26 26.019 -1.137 0.795 1.00 0.00 H new ATOM 0 HB2 HIS A 26 26.546 -3.126 -0.600 1.00 0.00 H new ATOM 0 HB3 HIS A 26 24.883 -3.672 -0.500 1.00 0.00 H new ATOM 0 HD1 HIS A 26 26.917 -0.682 -1.797 1.00 0.00 H new ATOM 0 HD2 HIS A 26 23.196 -2.541 -2.405 1.00 0.00 H new ATOM 0 HE1 HIS A 26 25.809 0.470 -3.790 1.00 0.00 H new ATOM 447 N LYS A 27 22.991 -2.181 1.382 1.00 0.00 N ATOM 448 CA LYS A 27 21.608 -1.656 1.540 1.00 0.00 C ATOM 449 C LYS A 27 21.609 -0.663 2.701 1.00 0.00 C ATOM 450 O LYS A 27 21.086 0.431 2.605 1.00 0.00 O ATOM 451 CB LYS A 27 20.741 -2.874 1.861 1.00 0.00 C ATOM 452 CG LYS A 27 19.462 -2.823 1.023 1.00 0.00 C ATOM 453 CD LYS A 27 19.615 -3.730 -0.199 1.00 0.00 C ATOM 454 CE LYS A 27 19.017 -5.104 0.107 1.00 0.00 C ATOM 455 NZ LYS A 27 17.885 -5.250 -0.850 1.00 0.00 N ATOM 0 H LYS A 27 23.135 -3.142 1.693 1.00 0.00 H new ATOM 0 HA LYS A 27 21.235 -1.143 0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 27 21.291 -3.791 1.650 1.00 0.00 H new ATOM 0 HB3 LYS A 27 20.493 -2.888 2.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 18.609 -3.143 1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 27 19.263 -1.799 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.113 -3.287 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 27 20.668 -3.830 -0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.754 -5.895 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.672 -5.164 1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.422 -6.170 -0.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.196 -4.487 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.245 -5.195 -1.824 1.00 0.00 H new ATOM 469 N LYS A 28 22.231 -1.028 3.793 1.00 0.00 N ATOM 470 CA LYS A 28 22.306 -0.096 4.952 1.00 0.00 C ATOM 471 C LYS A 28 23.126 1.136 4.553 1.00 0.00 C ATOM 472 O LYS A 28 23.023 2.186 5.152 1.00 0.00 O ATOM 473 CB LYS A 28 23.016 -0.885 6.053 1.00 0.00 C ATOM 474 CG LYS A 28 21.996 -1.319 7.108 1.00 0.00 C ATOM 475 CD LYS A 28 21.481 -2.720 6.773 1.00 0.00 C ATOM 476 CE LYS A 28 21.131 -3.459 8.066 1.00 0.00 C ATOM 477 NZ LYS A 28 20.072 -4.432 7.676 1.00 0.00 N ATOM 0 H LYS A 28 22.688 -1.929 3.930 1.00 0.00 H new ATOM 0 HA LYS A 28 21.327 0.253 5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.510 -1.759 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 28 23.792 -0.272 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 28 22.455 -1.315 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 28 21.166 -0.613 7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.602 -2.652 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 28 22.238 -3.274 6.219 1.00 0.00 H new ATOM 0 HE2 LYS A 28 22.002 -3.968 8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.772 -2.770 8.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.778 -4.979 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.253 -3.918 7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 20.445 -5.079 6.952 1.00 0.00 H new ATOM 491 N PHE A 29 23.928 1.011 3.525 1.00 0.00 N ATOM 492 CA PHE A 29 24.745 2.164 3.054 1.00 0.00 C ATOM 493 C PHE A 29 23.830 3.171 2.365 1.00 0.00 C ATOM 494 O PHE A 29 23.861 4.354 2.645 1.00 0.00 O ATOM 495 CB PHE A 29 25.734 1.559 2.049 1.00 0.00 C ATOM 496 CG PHE A 29 26.910 0.888 2.750 1.00 0.00 C ATOM 497 CD1 PHE A 29 27.012 0.860 4.167 1.00 0.00 C ATOM 498 CD2 PHE A 29 27.924 0.290 1.967 1.00 0.00 C ATOM 499 CE1 PHE A 29 28.118 0.237 4.785 1.00 0.00 C ATOM 500 CE2 PHE A 29 29.029 -0.332 2.589 1.00 0.00 C ATOM 501 CZ PHE A 29 29.126 -0.358 3.997 1.00 0.00 C ATOM 0 H PHE A 29 24.050 0.151 2.990 1.00 0.00 H new ATOM 0 HA PHE A 29 25.260 2.683 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 29 25.218 0.830 1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 29 26.104 2.341 1.386 1.00 0.00 H new ATOM 0 HD1 PHE A 29 26.242 1.316 4.772 1.00 0.00 H new ATOM 0 HD2 PHE A 29 27.853 0.309 0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 29 28.193 0.216 5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 29 29.801 -0.788 1.987 1.00 0.00 H new ATOM 0 HZ PHE A 29 29.972 -0.833 4.471 1.00 0.00 H new ATOM 511 N HIS A 30 23.006 2.699 1.473 1.00 0.00 N ATOM 512 CA HIS A 30 22.069 3.605 0.756 1.00 0.00 C ATOM 513 C HIS A 30 21.071 4.216 1.742 1.00 0.00 C ATOM 514 O HIS A 30 20.507 5.265 1.501 1.00 0.00 O ATOM 515 CB HIS A 30 21.350 2.697 -0.244 1.00 0.00 C ATOM 516 CG HIS A 30 20.804 3.526 -1.375 1.00 0.00 C ATOM 517 ND1 HIS A 30 21.046 3.214 -2.703 1.00 0.00 N ATOM 518 CD2 HIS A 30 20.028 4.659 -1.391 1.00 0.00 C ATOM 519 CE1 HIS A 30 20.426 4.141 -3.457 1.00 0.00 C ATOM 520 NE2 HIS A 30 19.790 5.045 -2.707 1.00 0.00 N ATOM 0 H HIS A 30 22.941 1.716 1.208 1.00 0.00 H new ATOM 0 HA HIS A 30 22.578 4.436 0.267 1.00 0.00 H new ATOM 0 HB2 HIS A 30 22.039 1.946 -0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.540 2.162 0.252 1.00 0.00 H new ATOM 0 HD1 HIS A 30 21.594 2.425 -3.047 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.659 5.172 -0.516 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.441 4.152 -4.537 1.00 0.00 H new ATOM 528 N GLU A 31 20.842 3.563 2.848 1.00 0.00 N ATOM 529 CA GLU A 31 19.872 4.101 3.845 1.00 0.00 C ATOM 530 C GLU A 31 20.550 5.107 4.783 1.00 0.00 C ATOM 531 O GLU A 31 19.925 6.033 5.262 1.00 0.00 O ATOM 532 CB GLU A 31 19.396 2.879 4.630 1.00 0.00 C ATOM 533 CG GLU A 31 18.289 2.170 3.847 1.00 0.00 C ATOM 534 CD GLU A 31 18.388 0.660 4.075 1.00 0.00 C ATOM 535 OE1 GLU A 31 18.859 0.270 5.130 1.00 0.00 O ATOM 536 OE2 GLU A 31 17.992 -0.080 3.189 1.00 0.00 O ATOM 0 H GLU A 31 21.284 2.680 3.105 1.00 0.00 H new ATOM 0 HA GLU A 31 19.050 4.632 3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 31 20.229 2.197 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 31 19.026 3.184 5.609 1.00 0.00 H new ATOM 0 HG2 GLU A 31 17.313 2.533 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 31 18.380 2.395 2.784 1.00 0.00 H new ATOM 543 N LEU A 32 21.814 4.934 5.062 1.00 0.00 N ATOM 544 CA LEU A 32 22.503 5.884 5.979 1.00 0.00 C ATOM 545 C LEU A 32 23.026 7.109 5.206 1.00 0.00 C ATOM 546 O LEU A 32 23.417 8.099 5.792 1.00 0.00 O ATOM 547 CB LEU A 32 23.639 5.060 6.625 1.00 0.00 C ATOM 548 CG LEU A 32 24.913 5.083 5.768 1.00 0.00 C ATOM 549 CD1 LEU A 32 25.806 6.242 6.217 1.00 0.00 C ATOM 550 CD2 LEU A 32 25.678 3.770 5.942 1.00 0.00 C ATOM 0 H LEU A 32 22.396 4.180 4.696 1.00 0.00 H new ATOM 0 HA LEU A 32 21.837 6.293 6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 32 23.859 5.457 7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.310 4.030 6.761 1.00 0.00 H new ATOM 0 HG LEU A 32 24.637 5.209 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 32 26.711 6.260 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 32 25.269 7.183 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 32 26.075 6.109 7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 32 26.581 3.791 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 32 25.951 3.644 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.048 2.938 5.629 1.00 0.00 H new ATOM 562 N ILE A 33 23.036 7.054 3.898 1.00 0.00 N ATOM 563 CA ILE A 33 23.536 8.225 3.111 1.00 0.00 C ATOM 564 C ILE A 33 22.379 8.902 2.366 1.00 0.00 C ATOM 565 O ILE A 33 22.446 10.065 2.023 1.00 0.00 O ATOM 566 CB ILE A 33 24.565 7.648 2.129 1.00 0.00 C ATOM 567 CG1 ILE A 33 23.855 6.781 1.074 1.00 0.00 C ATOM 568 CG2 ILE A 33 25.583 6.812 2.917 1.00 0.00 C ATOM 569 CD1 ILE A 33 24.887 6.004 0.250 1.00 0.00 C ATOM 0 H ILE A 33 22.723 6.257 3.344 1.00 0.00 H new ATOM 0 HA ILE A 33 23.981 8.988 3.750 1.00 0.00 H new ATOM 0 HB ILE A 33 25.082 8.456 1.613 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.171 6.087 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 33 23.255 7.411 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 33 26.321 6.396 2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 33 26.085 7.445 3.649 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.067 6.001 3.431 1.00 0.00 H new ATOM 0 HD11 ILE A 33 24.374 5.394 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 33 25.553 6.705 -0.253 1.00 0.00 H new ATOM 0 HD13 ILE A 33 25.469 5.360 0.909 1.00 0.00 H new ATOM 581 N LYS A 34 21.320 8.182 2.115 1.00 0.00 N ATOM 582 CA LYS A 34 20.162 8.787 1.396 1.00 0.00 C ATOM 583 C LYS A 34 19.278 9.565 2.375 1.00 0.00 C ATOM 584 O LYS A 34 18.774 9.021 3.337 1.00 0.00 O ATOM 585 CB LYS A 34 19.397 7.601 0.810 1.00 0.00 C ATOM 586 CG LYS A 34 18.165 8.108 0.058 1.00 0.00 C ATOM 587 CD LYS A 34 18.484 8.212 -1.435 1.00 0.00 C ATOM 588 CE LYS A 34 17.381 7.525 -2.242 1.00 0.00 C ATOM 589 NZ LYS A 34 16.774 8.614 -3.060 1.00 0.00 N ATOM 0 H LYS A 34 21.206 7.203 2.376 1.00 0.00 H new ATOM 0 HA LYS A 34 20.477 9.491 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.041 7.037 0.135 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.095 6.920 1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.326 7.430 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.865 9.082 0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.565 9.259 -1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.447 7.746 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.787 6.735 -2.874 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.642 7.062 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.007 8.223 -3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.391 9.348 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 17.500 9.031 -3.677 1.00 0.00 H new ATOM 603 N GLY A 35 19.087 10.833 2.137 1.00 0.00 N ATOM 604 CA GLY A 35 18.236 11.643 3.053 1.00 0.00 C ATOM 605 C GLY A 35 17.397 12.627 2.235 1.00 0.00 C ATOM 606 O GLY A 35 16.280 12.903 2.640 1.00 0.00 O ATOM 607 OXT GLY A 35 17.887 13.088 1.217 1.00 0.00 O ATOM 0 H GLY A 35 19.483 11.343 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.585 10.990 3.634 1.00 0.00 H new ATOM 0 HA3 GLY A 35 18.861 12.184 3.763 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 35.191 -10.102 11.530 1.00 0.00 N ATOM 613 CA GLY B 1 34.521 -9.757 10.244 1.00 0.00 C ATOM 614 C GLY B 1 35.429 -8.838 9.425 1.00 0.00 C ATOM 615 O GLY B 1 35.999 -7.896 9.938 1.00 0.00 O ATOM 0 H1 GLY B 1 34.506 -10.030 12.309 1.00 0.00 H new ATOM 0 H2 GLY B 1 35.558 -11.074 11.480 1.00 0.00 H new ATOM 0 H3 GLY B 1 35.978 -9.443 11.699 1.00 0.00 H new ATOM 0 HA2 GLY B 1 34.302 -10.664 9.681 1.00 0.00 H new ATOM 0 HA3 GLY B 1 33.568 -9.265 10.439 1.00 0.00 H new ATOM 621 N GLU B 2 35.567 -9.103 8.155 1.00 0.00 N ATOM 622 CA GLU B 2 36.438 -8.243 7.304 1.00 0.00 C ATOM 623 C GLU B 2 35.632 -7.070 6.740 1.00 0.00 C ATOM 624 O GLU B 2 36.158 -6.001 6.502 1.00 0.00 O ATOM 625 CB GLU B 2 36.915 -9.157 6.175 1.00 0.00 C ATOM 626 CG GLU B 2 37.687 -10.338 6.768 1.00 0.00 C ATOM 627 CD GLU B 2 36.919 -11.634 6.504 1.00 0.00 C ATOM 628 OE1 GLU B 2 35.705 -11.569 6.398 1.00 0.00 O ATOM 629 OE2 GLU B 2 37.557 -12.670 6.412 1.00 0.00 O ATOM 0 H GLU B 2 35.115 -9.878 7.670 1.00 0.00 H new ATOM 0 HA GLU B 2 37.271 -7.817 7.863 1.00 0.00 H new ATOM 0 HB2 GLU B 2 36.062 -9.518 5.600 1.00 0.00 H new ATOM 0 HB3 GLU B 2 37.552 -8.601 5.487 1.00 0.00 H new ATOM 0 HG2 GLU B 2 38.681 -10.395 6.325 1.00 0.00 H new ATOM 0 HG3 GLU B 2 37.823 -10.196 7.840 1.00 0.00 H new ATOM 636 N VAL B 3 34.360 -7.262 6.525 1.00 0.00 N ATOM 637 CA VAL B 3 33.521 -6.158 5.977 1.00 0.00 C ATOM 638 C VAL B 3 33.444 -5.003 6.977 1.00 0.00 C ATOM 639 O VAL B 3 33.171 -3.875 6.620 1.00 0.00 O ATOM 640 CB VAL B 3 32.138 -6.775 5.772 1.00 0.00 C ATOM 641 CG1 VAL B 3 31.593 -7.264 7.116 1.00 0.00 C ATOM 642 CG2 VAL B 3 31.193 -5.720 5.194 1.00 0.00 C ATOM 0 H VAL B 3 33.865 -8.135 6.705 1.00 0.00 H new ATOM 0 HA VAL B 3 33.930 -5.752 5.052 1.00 0.00 H new ATOM 0 HB VAL B 3 32.213 -7.616 5.083 1.00 0.00 H new ATOM 0 HG11 VAL B 3 30.607 -7.704 6.970 1.00 0.00 H new ATOM 0 HG12 VAL B 3 32.267 -8.013 7.531 1.00 0.00 H new ATOM 0 HG13 VAL B 3 31.517 -6.423 7.805 1.00 0.00 H new ATOM 0 HG21 VAL B 3 30.206 -6.158 5.047 1.00 0.00 H new ATOM 0 HG22 VAL B 3 31.118 -4.880 5.885 1.00 0.00 H new ATOM 0 HG23 VAL B 3 31.581 -5.369 4.238 1.00 0.00 H new ATOM 652 N GLU B 4 33.680 -5.278 8.230 1.00 0.00 N ATOM 653 CA GLU B 4 33.618 -4.199 9.257 1.00 0.00 C ATOM 654 C GLU B 4 34.596 -3.071 8.912 1.00 0.00 C ATOM 655 O GLU B 4 34.483 -1.968 9.408 1.00 0.00 O ATOM 656 CB GLU B 4 34.029 -4.876 10.563 1.00 0.00 C ATOM 657 CG GLU B 4 32.955 -4.631 11.625 1.00 0.00 C ATOM 658 CD GLU B 4 33.561 -4.828 13.016 1.00 0.00 C ATOM 659 OE1 GLU B 4 33.911 -5.953 13.335 1.00 0.00 O ATOM 660 OE2 GLU B 4 33.664 -3.851 13.739 1.00 0.00 O ATOM 0 H GLU B 4 33.913 -6.204 8.588 1.00 0.00 H new ATOM 0 HA GLU B 4 32.627 -3.749 9.319 1.00 0.00 H new ATOM 0 HB2 GLU B 4 34.161 -5.946 10.404 1.00 0.00 H new ATOM 0 HB3 GLU B 4 34.987 -4.483 10.903 1.00 0.00 H new ATOM 0 HG2 GLU B 4 32.557 -3.621 11.529 1.00 0.00 H new ATOM 0 HG3 GLU B 4 32.121 -5.317 11.479 1.00 0.00 H new ATOM 667 N GLU B 5 35.558 -3.338 8.073 1.00 0.00 N ATOM 668 CA GLU B 5 36.541 -2.278 7.710 1.00 0.00 C ATOM 669 C GLU B 5 35.931 -1.302 6.701 1.00 0.00 C ATOM 670 O GLU B 5 35.948 -0.104 6.899 1.00 0.00 O ATOM 671 CB GLU B 5 37.721 -3.027 7.090 1.00 0.00 C ATOM 672 CG GLU B 5 38.956 -2.852 7.975 1.00 0.00 C ATOM 673 CD GLU B 5 40.216 -3.138 7.156 1.00 0.00 C ATOM 674 OE1 GLU B 5 40.185 -2.908 5.958 1.00 0.00 O ATOM 675 OE2 GLU B 5 41.191 -3.581 7.740 1.00 0.00 O ATOM 0 H GLU B 5 35.706 -4.242 7.624 1.00 0.00 H new ATOM 0 HA GLU B 5 36.842 -1.685 8.574 1.00 0.00 H new ATOM 0 HB2 GLU B 5 37.481 -4.085 6.987 1.00 0.00 H new ATOM 0 HB3 GLU B 5 37.921 -2.647 6.088 1.00 0.00 H new ATOM 0 HG2 GLU B 5 38.991 -1.838 8.373 1.00 0.00 H new ATOM 0 HG3 GLU B 5 38.903 -3.528 8.829 1.00 0.00 H new ATOM 682 N LEU B 6 35.390 -1.799 5.622 1.00 0.00 N ATOM 683 CA LEU B 6 34.783 -0.881 4.617 1.00 0.00 C ATOM 684 C LEU B 6 33.566 -0.180 5.237 1.00 0.00 C ATOM 685 O LEU B 6 33.220 0.922 4.869 1.00 0.00 O ATOM 686 CB LEU B 6 34.431 -1.788 3.406 1.00 0.00 C ATOM 687 CG LEU B 6 32.912 -1.944 3.202 1.00 0.00 C ATOM 688 CD1 LEU B 6 32.338 -0.662 2.593 1.00 0.00 C ATOM 689 CD2 LEU B 6 32.643 -3.113 2.249 1.00 0.00 C ATOM 0 H LEU B 6 35.342 -2.792 5.394 1.00 0.00 H new ATOM 0 HA LEU B 6 35.445 -0.077 4.294 1.00 0.00 H new ATOM 0 HB2 LEU B 6 34.874 -1.369 2.502 1.00 0.00 H new ATOM 0 HB3 LEU B 6 34.877 -2.772 3.552 1.00 0.00 H new ATOM 0 HG LEU B 6 32.439 -2.135 4.165 1.00 0.00 H new ATOM 0 HD11 LEU B 6 31.263 -0.776 2.450 1.00 0.00 H new ATOM 0 HD12 LEU B 6 32.528 0.176 3.264 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.814 -0.472 1.631 1.00 0.00 H new ATOM 0 HD21 LEU B 6 31.568 -3.224 2.104 1.00 0.00 H new ATOM 0 HD22 LEU B 6 33.120 -2.917 1.289 1.00 0.00 H new ATOM 0 HD23 LEU B 6 33.049 -4.031 2.675 1.00 0.00 H new ATOM 701 N GLU B 7 32.930 -0.813 6.186 1.00 0.00 N ATOM 702 CA GLU B 7 31.743 -0.191 6.844 1.00 0.00 C ATOM 703 C GLU B 7 32.170 1.030 7.660 1.00 0.00 C ATOM 704 O GLU B 7 31.631 2.115 7.514 1.00 0.00 O ATOM 705 CB GLU B 7 31.199 -1.275 7.772 1.00 0.00 C ATOM 706 CG GLU B 7 29.764 -0.932 8.172 1.00 0.00 C ATOM 707 CD GLU B 7 29.752 -0.352 9.588 1.00 0.00 C ATOM 708 OE1 GLU B 7 29.804 -1.131 10.526 1.00 0.00 O ATOM 709 OE2 GLU B 7 29.691 0.860 9.710 1.00 0.00 O ATOM 0 H GLU B 7 33.182 -1.738 6.536 1.00 0.00 H new ATOM 0 HA GLU B 7 31.001 0.148 6.121 1.00 0.00 H new ATOM 0 HB2 GLU B 7 31.227 -2.243 7.273 1.00 0.00 H new ATOM 0 HB3 GLU B 7 31.826 -1.356 8.660 1.00 0.00 H new ATOM 0 HG2 GLU B 7 29.342 -0.213 7.470 1.00 0.00 H new ATOM 0 HG3 GLU B 7 29.140 -1.825 8.128 1.00 0.00 H new ATOM 716 N LYS B 8 33.131 0.859 8.525 1.00 0.00 N ATOM 717 CA LYS B 8 33.591 2.005 9.356 1.00 0.00 C ATOM 718 C LYS B 8 34.089 3.128 8.456 1.00 0.00 C ATOM 719 O LYS B 8 33.682 4.259 8.587 1.00 0.00 O ATOM 720 CB LYS B 8 34.724 1.452 10.220 1.00 0.00 C ATOM 721 CG LYS B 8 34.307 1.492 11.692 1.00 0.00 C ATOM 722 CD LYS B 8 33.410 0.291 12.001 1.00 0.00 C ATOM 723 CE LYS B 8 32.944 0.365 13.457 1.00 0.00 C ATOM 724 NZ LYS B 8 31.894 1.423 13.468 1.00 0.00 N ATOM 0 H LYS B 8 33.616 -0.023 8.692 1.00 0.00 H new ATOM 0 HA LYS B 8 32.792 2.420 9.971 1.00 0.00 H new ATOM 0 HB2 LYS B 8 34.956 0.429 9.924 1.00 0.00 H new ATOM 0 HB3 LYS B 8 35.630 2.040 10.071 1.00 0.00 H new ATOM 0 HG2 LYS B 8 35.189 1.474 12.332 1.00 0.00 H new ATOM 0 HG3 LYS B 8 33.777 2.420 11.906 1.00 0.00 H new ATOM 0 HD2 LYS B 8 32.549 0.284 11.332 1.00 0.00 H new ATOM 0 HD3 LYS B 8 33.955 -0.637 11.829 1.00 0.00 H new ATOM 0 HE2 LYS B 8 32.545 -0.592 13.794 1.00 0.00 H new ATOM 0 HE3 LYS B 8 33.768 0.619 14.124 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 32.249 2.260 13.973 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 31.655 1.685 12.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 31.044 1.064 13.948 1.00 0.00 H new ATOM 738 N LYS B 9 34.950 2.825 7.530 1.00 0.00 N ATOM 739 CA LYS B 9 35.444 3.887 6.612 1.00 0.00 C ATOM 740 C LYS B 9 34.253 4.496 5.867 1.00 0.00 C ATOM 741 O LYS B 9 34.307 5.609 5.384 1.00 0.00 O ATOM 742 CB LYS B 9 36.381 3.168 5.641 1.00 0.00 C ATOM 743 CG LYS B 9 37.807 3.194 6.194 1.00 0.00 C ATOM 744 CD LYS B 9 38.513 4.468 5.725 1.00 0.00 C ATOM 745 CE LYS B 9 40.000 4.177 5.512 1.00 0.00 C ATOM 746 NZ LYS B 9 40.698 4.960 6.570 1.00 0.00 N ATOM 0 H LYS B 9 35.332 1.893 7.368 1.00 0.00 H new ATOM 0 HA LYS B 9 35.956 4.697 7.132 1.00 0.00 H new ATOM 0 HB2 LYS B 9 36.054 2.138 5.498 1.00 0.00 H new ATOM 0 HB3 LYS B 9 36.350 3.651 4.664 1.00 0.00 H new ATOM 0 HG2 LYS B 9 37.787 3.157 7.283 1.00 0.00 H new ATOM 0 HG3 LYS B 9 38.356 2.315 5.855 1.00 0.00 H new ATOM 0 HD2 LYS B 9 38.065 4.825 4.798 1.00 0.00 H new ATOM 0 HD3 LYS B 9 38.388 5.259 6.464 1.00 0.00 H new ATOM 0 HE2 LYS B 9 40.211 3.112 5.604 1.00 0.00 H new ATOM 0 HE3 LYS B 9 40.324 4.481 4.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 41.724 4.813 6.491 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 40.483 5.971 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 40.374 4.644 7.506 1.00 0.00 H new ATOM 760 N PHE B 10 33.177 3.761 5.774 1.00 0.00 N ATOM 761 CA PHE B 10 31.969 4.268 5.067 1.00 0.00 C ATOM 762 C PHE B 10 31.376 5.483 5.785 1.00 0.00 C ATOM 763 O PHE B 10 31.362 6.582 5.264 1.00 0.00 O ATOM 764 CB PHE B 10 30.979 3.102 5.112 1.00 0.00 C ATOM 765 CG PHE B 10 30.056 3.169 3.926 1.00 0.00 C ATOM 766 CD1 PHE B 10 30.532 2.825 2.643 1.00 0.00 C ATOM 767 CD2 PHE B 10 28.713 3.570 4.101 1.00 0.00 C ATOM 768 CE1 PHE B 10 29.665 2.881 1.532 1.00 0.00 C ATOM 769 CE2 PHE B 10 27.845 3.628 2.990 1.00 0.00 C ATOM 770 CZ PHE B 10 28.323 3.282 1.705 1.00 0.00 C ATOM 0 H PHE B 10 33.084 2.822 6.162 1.00 0.00 H new ATOM 0 HA PHE B 10 32.201 4.590 4.052 1.00 0.00 H new ATOM 0 HB2 PHE B 10 31.519 2.155 5.111 1.00 0.00 H new ATOM 0 HB3 PHE B 10 30.402 3.139 6.036 1.00 0.00 H new ATOM 0 HD1 PHE B 10 31.559 2.519 2.512 1.00 0.00 H new ATOM 0 HD2 PHE B 10 28.351 3.832 5.084 1.00 0.00 H new ATOM 0 HE1 PHE B 10 30.028 2.617 0.550 1.00 0.00 H new ATOM 0 HE2 PHE B 10 26.818 3.936 3.121 1.00 0.00 H new ATOM 0 HZ PHE B 10 27.660 3.325 0.854 1.00 0.00 H new ATOM 780 N LYS B 11 30.868 5.293 6.972 1.00 0.00 N ATOM 781 CA LYS B 11 30.253 6.440 7.701 1.00 0.00 C ATOM 782 C LYS B 11 31.311 7.482 8.066 1.00 0.00 C ATOM 783 O LYS B 11 31.030 8.661 8.162 1.00 0.00 O ATOM 784 CB LYS B 11 29.643 5.820 8.952 1.00 0.00 C ATOM 785 CG LYS B 11 29.036 6.920 9.823 1.00 0.00 C ATOM 786 CD LYS B 11 27.748 7.430 9.172 1.00 0.00 C ATOM 787 CE LYS B 11 26.552 7.069 10.054 1.00 0.00 C ATOM 788 NZ LYS B 11 25.478 8.018 9.647 1.00 0.00 N ATOM 0 H LYS B 11 30.852 4.401 7.466 1.00 0.00 H new ATOM 0 HA LYS B 11 29.510 6.962 7.098 1.00 0.00 H new ATOM 0 HB2 LYS B 11 28.876 5.096 8.675 1.00 0.00 H new ATOM 0 HB3 LYS B 11 30.406 5.278 9.511 1.00 0.00 H new ATOM 0 HG2 LYS B 11 28.825 6.534 10.820 1.00 0.00 H new ATOM 0 HG3 LYS B 11 29.746 7.739 9.941 1.00 0.00 H new ATOM 0 HD2 LYS B 11 27.800 8.510 9.036 1.00 0.00 H new ATOM 0 HD3 LYS B 11 27.629 6.989 8.182 1.00 0.00 H new ATOM 0 HE2 LYS B 11 26.245 6.035 9.900 1.00 0.00 H new ATOM 0 HE3 LYS B 11 26.794 7.176 11.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 24.622 7.834 10.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 25.797 8.994 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 25.265 7.889 8.637 1.00 0.00 H new ATOM 802 N GLU B 12 32.522 7.057 8.262 1.00 0.00 N ATOM 803 CA GLU B 12 33.601 8.020 8.614 1.00 0.00 C ATOM 804 C GLU B 12 34.000 8.823 7.379 1.00 0.00 C ATOM 805 O GLU B 12 34.530 9.911 7.480 1.00 0.00 O ATOM 806 CB GLU B 12 34.768 7.157 9.092 1.00 0.00 C ATOM 807 CG GLU B 12 34.720 7.031 10.616 1.00 0.00 C ATOM 808 CD GLU B 12 35.973 6.304 11.108 1.00 0.00 C ATOM 809 OE1 GLU B 12 36.018 5.092 10.982 1.00 0.00 O ATOM 810 OE2 GLU B 12 36.866 6.973 11.602 1.00 0.00 O ATOM 0 H GLU B 12 32.815 6.082 8.194 1.00 0.00 H new ATOM 0 HA GLU B 12 33.289 8.733 9.377 1.00 0.00 H new ATOM 0 HB2 GLU B 12 34.716 6.170 8.633 1.00 0.00 H new ATOM 0 HB3 GLU B 12 35.714 7.602 8.783 1.00 0.00 H new ATOM 0 HG2 GLU B 12 34.658 8.019 11.071 1.00 0.00 H new ATOM 0 HG3 GLU B 12 33.827 6.484 10.918 1.00 0.00 H new ATOM 817 N LEU B 13 33.746 8.298 6.211 1.00 0.00 N ATOM 818 CA LEU B 13 34.111 9.040 4.976 1.00 0.00 C ATOM 819 C LEU B 13 33.075 10.133 4.703 1.00 0.00 C ATOM 820 O LEU B 13 33.411 11.238 4.325 1.00 0.00 O ATOM 821 CB LEU B 13 34.114 7.989 3.867 1.00 0.00 C ATOM 822 CG LEU B 13 35.533 7.441 3.701 1.00 0.00 C ATOM 823 CD1 LEU B 13 35.487 6.121 2.933 1.00 0.00 C ATOM 824 CD2 LEU B 13 36.382 8.449 2.925 1.00 0.00 C ATOM 0 H LEU B 13 33.303 7.391 6.061 1.00 0.00 H new ATOM 0 HA LEU B 13 35.078 9.537 5.053 1.00 0.00 H new ATOM 0 HB2 LEU B 13 33.425 7.181 4.113 1.00 0.00 H new ATOM 0 HB3 LEU B 13 33.769 8.429 2.931 1.00 0.00 H new ATOM 0 HG LEU B 13 35.972 7.274 4.685 1.00 0.00 H new ATOM 0 HD11 LEU B 13 36.499 5.733 2.816 1.00 0.00 H new ATOM 0 HD12 LEU B 13 34.883 5.400 3.484 1.00 0.00 H new ATOM 0 HD13 LEU B 13 35.046 6.287 1.950 1.00 0.00 H new ATOM 0 HD21 LEU B 13 37.393 8.059 2.807 1.00 0.00 H new ATOM 0 HD22 LEU B 13 35.941 8.617 1.943 1.00 0.00 H new ATOM 0 HD23 LEU B 13 36.419 9.391 3.472 1.00 0.00 H new ATOM 836 N TRP B 14 31.818 9.842 4.905 1.00 0.00 N ATOM 837 CA TRP B 14 30.772 10.881 4.669 1.00 0.00 C ATOM 838 C TRP B 14 30.961 12.032 5.652 1.00 0.00 C ATOM 839 O TRP B 14 30.933 13.191 5.288 1.00 0.00 O ATOM 840 CB TRP B 14 29.440 10.185 4.938 1.00 0.00 C ATOM 841 CG TRP B 14 28.735 9.947 3.648 1.00 0.00 C ATOM 842 CD1 TRP B 14 28.043 10.877 2.942 1.00 0.00 C ATOM 843 CD2 TRP B 14 28.646 8.714 2.896 1.00 0.00 C ATOM 844 NE1 TRP B 14 27.531 10.285 1.803 1.00 0.00 N ATOM 845 CE2 TRP B 14 27.875 8.953 1.726 1.00 0.00 C ATOM 846 CE3 TRP B 14 29.156 7.412 3.114 1.00 0.00 C ATOM 847 CZ2 TRP B 14 27.619 7.932 0.801 1.00 0.00 C ATOM 848 CZ3 TRP B 14 28.906 6.382 2.186 1.00 0.00 C ATOM 849 CH2 TRP B 14 28.139 6.640 1.030 1.00 0.00 C ATOM 0 H TRP B 14 31.471 8.936 5.221 1.00 0.00 H new ATOM 0 HA TRP B 14 30.821 11.290 3.660 1.00 0.00 H new ATOM 0 HB2 TRP B 14 29.609 9.239 5.452 1.00 0.00 H new ATOM 0 HB3 TRP B 14 28.823 10.799 5.594 1.00 0.00 H new ATOM 0 HD1 TRP B 14 27.914 11.911 3.224 1.00 0.00 H new ATOM 0 HE1 TRP B 14 26.969 10.773 1.106 1.00 0.00 H new ATOM 0 HE3 TRP B 14 29.741 7.207 3.998 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 27.028 8.132 -0.081 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 29.302 5.392 2.360 1.00 0.00 H new ATOM 0 HH2 TRP B 14 27.950 5.848 0.320 1.00 0.00 H new ATOM 860 N LYS B 15 31.148 11.714 6.901 1.00 0.00 N ATOM 861 CA LYS B 15 31.334 12.776 7.924 1.00 0.00 C ATOM 862 C LYS B 15 32.811 12.870 8.317 1.00 0.00 C ATOM 863 O LYS B 15 33.203 12.503 9.407 1.00 0.00 O ATOM 864 CB LYS B 15 30.473 12.317 9.100 1.00 0.00 C ATOM 865 CG LYS B 15 30.634 13.288 10.272 1.00 0.00 C ATOM 866 CD LYS B 15 29.549 14.365 10.193 1.00 0.00 C ATOM 867 CE LYS B 15 28.920 14.557 11.574 1.00 0.00 C ATOM 868 NZ LYS B 15 28.046 15.756 11.431 1.00 0.00 N ATOM 0 H LYS B 15 31.180 10.759 7.258 1.00 0.00 H new ATOM 0 HA LYS B 15 31.047 13.767 7.573 1.00 0.00 H new ATOM 0 HB2 LYS B 15 29.427 12.267 8.799 1.00 0.00 H new ATOM 0 HB3 LYS B 15 30.765 11.312 9.406 1.00 0.00 H new ATOM 0 HG2 LYS B 15 30.560 12.750 11.217 1.00 0.00 H new ATOM 0 HG3 LYS B 15 31.622 13.748 10.244 1.00 0.00 H new ATOM 0 HD2 LYS B 15 29.978 15.304 9.843 1.00 0.00 H new ATOM 0 HD3 LYS B 15 28.786 14.075 9.471 1.00 0.00 H new ATOM 0 HE2 LYS B 15 28.344 13.681 11.872 1.00 0.00 H new ATOM 0 HE3 LYS B 15 29.682 14.712 12.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 27.577 15.954 12.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 28.623 16.575 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 27.327 15.576 10.702 1.00 0.00 H new ATOM 882 N GLY B 16 33.631 13.355 7.425 1.00 0.00 N ATOM 883 CA GLY B 16 35.087 13.475 7.723 1.00 0.00 C ATOM 884 C GLY B 16 35.812 13.974 6.468 1.00 0.00 C ATOM 885 O GLY B 16 35.908 15.164 6.241 1.00 0.00 O ATOM 0 H GLY B 16 33.353 13.675 6.497 1.00 0.00 H new ATOM 0 HA2 GLY B 16 35.247 14.167 8.550 1.00 0.00 H new ATOM 0 HA3 GLY B 16 35.489 12.510 8.032 1.00 0.00 H new ATOM 889 N PRO B 17 36.293 13.041 5.685 1.00 0.00 N ATOM 890 CA PRO B 17 37.006 13.392 4.435 1.00 0.00 C ATOM 891 C PRO B 17 35.987 13.780 3.358 1.00 0.00 C ATOM 892 O PRO B 17 34.870 14.150 3.662 1.00 0.00 O ATOM 893 CB PRO B 17 37.735 12.101 4.068 1.00 0.00 C ATOM 894 CG PRO B 17 36.939 11.004 4.703 1.00 0.00 C ATOM 895 CD PRO B 17 36.219 11.591 5.892 1.00 0.00 C ATOM 0 HA PRO B 17 37.688 14.237 4.536 1.00 0.00 H new ATOM 0 HB2 PRO B 17 37.788 11.973 2.987 1.00 0.00 H new ATOM 0 HB3 PRO B 17 38.760 12.109 4.439 1.00 0.00 H new ATOM 0 HG2 PRO B 17 36.226 10.587 3.991 1.00 0.00 H new ATOM 0 HG3 PRO B 17 37.592 10.189 5.015 1.00 0.00 H new ATOM 0 HD2 PRO B 17 35.185 11.249 5.939 1.00 0.00 H new ATOM 0 HD3 PRO B 17 36.694 11.299 6.828 1.00 0.00 H new ATOM 903 N ARG B 18 36.352 13.699 2.103 1.00 0.00 N ATOM 904 CA ARG B 18 35.391 14.061 1.016 1.00 0.00 C ATOM 905 C ARG B 18 34.033 13.380 1.257 1.00 0.00 C ATOM 906 O ARG B 18 33.896 12.547 2.131 1.00 0.00 O ATOM 907 CB ARG B 18 36.055 13.569 -0.288 1.00 0.00 C ATOM 908 CG ARG B 18 35.807 12.065 -0.514 1.00 0.00 C ATOM 909 CD ARG B 18 36.519 11.248 0.566 1.00 0.00 C ATOM 910 NE ARG B 18 37.963 11.606 0.439 1.00 0.00 N ATOM 911 CZ ARG B 18 38.616 11.315 -0.654 1.00 0.00 C ATOM 912 NH1 ARG B 18 38.390 10.186 -1.269 1.00 0.00 N ATOM 913 NH2 ARG B 18 39.496 12.153 -1.132 1.00 0.00 N ATOM 0 H ARG B 18 37.273 13.398 1.784 1.00 0.00 H new ATOM 0 HA ARG B 18 35.188 15.131 0.974 1.00 0.00 H new ATOM 0 HB2 ARG B 18 35.663 14.135 -1.133 1.00 0.00 H new ATOM 0 HB3 ARG B 18 37.127 13.760 -0.246 1.00 0.00 H new ATOM 0 HG2 ARG B 18 34.737 11.857 -0.492 1.00 0.00 H new ATOM 0 HG3 ARG B 18 36.168 11.773 -1.500 1.00 0.00 H new ATOM 0 HD2 ARG B 18 36.139 11.491 1.558 1.00 0.00 H new ATOM 0 HD3 ARG B 18 36.364 10.179 0.418 1.00 0.00 H new ATOM 0 HE ARG B 18 38.440 12.078 1.207 1.00 0.00 H new ATOM 0 HH11 ARG B 18 37.703 9.531 -0.896 1.00 0.00 H new ATOM 0 HH12 ARG B 18 38.900 9.959 -2.123 1.00 0.00 H new ATOM 0 HH21 ARG B 18 39.674 13.035 -0.652 1.00 0.00 H new ATOM 0 HH22 ARG B 18 40.006 11.925 -1.986 1.00 0.00 H new ATOM 927 N ARG B 19 33.036 13.721 0.491 1.00 0.00 N ATOM 928 CA ARG B 19 31.706 13.082 0.692 1.00 0.00 C ATOM 929 C ARG B 19 31.054 12.766 -0.657 1.00 0.00 C ATOM 930 O ARG B 19 30.606 11.663 -0.895 1.00 0.00 O ATOM 931 CB ARG B 19 30.880 14.115 1.459 1.00 0.00 C ATOM 932 CG ARG B 19 29.488 13.547 1.742 1.00 0.00 C ATOM 933 CD ARG B 19 28.446 14.660 1.615 1.00 0.00 C ATOM 934 NE ARG B 19 28.304 15.209 2.994 1.00 0.00 N ATOM 935 CZ ARG B 19 27.117 15.414 3.496 1.00 0.00 C ATOM 936 NH1 ARG B 19 26.189 15.976 2.771 1.00 0.00 N ATOM 937 NH2 ARG B 19 26.858 15.058 4.725 1.00 0.00 N ATOM 0 H ARG B 19 33.083 14.409 -0.260 1.00 0.00 H new ATOM 0 HA ARG B 19 31.783 12.138 1.232 1.00 0.00 H new ATOM 0 HB2 ARG B 19 31.377 14.371 2.395 1.00 0.00 H new ATOM 0 HB3 ARG B 19 30.798 15.034 0.879 1.00 0.00 H new ATOM 0 HG2 ARG B 19 29.263 12.742 1.042 1.00 0.00 H new ATOM 0 HG3 ARG B 19 29.456 13.117 2.743 1.00 0.00 H new ATOM 0 HD2 ARG B 19 28.772 15.429 0.915 1.00 0.00 H new ATOM 0 HD3 ARG B 19 27.497 14.273 1.244 1.00 0.00 H new ATOM 0 HE ARG B 19 29.135 15.424 3.545 1.00 0.00 H new ATOM 0 HH11 ARG B 19 26.391 16.255 1.811 1.00 0.00 H new ATOM 0 HH12 ARG B 19 25.262 16.136 3.164 1.00 0.00 H new ATOM 0 HH21 ARG B 19 27.583 14.620 5.293 1.00 0.00 H new ATOM 0 HH22 ARG B 19 25.930 15.218 5.118 1.00 0.00 H new ATOM 951 N GLY B 20 30.993 13.724 -1.540 1.00 0.00 N ATOM 952 CA GLY B 20 30.364 13.474 -2.868 1.00 0.00 C ATOM 953 C GLY B 20 31.035 12.274 -3.541 1.00 0.00 C ATOM 954 O GLY B 20 30.387 11.469 -4.180 1.00 0.00 O ATOM 0 H GLY B 20 31.351 14.669 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY B 20 29.298 13.285 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY B 20 30.461 14.358 -3.499 1.00 0.00 H new ATOM 958 N GLU B 21 32.327 12.147 -3.406 1.00 0.00 N ATOM 959 CA GLU B 21 33.033 10.998 -4.044 1.00 0.00 C ATOM 960 C GLU B 21 32.639 9.686 -3.359 1.00 0.00 C ATOM 961 O GLU B 21 32.550 8.649 -3.987 1.00 0.00 O ATOM 962 CB GLU B 21 34.520 11.285 -3.841 1.00 0.00 C ATOM 963 CG GLU B 21 35.091 11.929 -5.107 1.00 0.00 C ATOM 964 CD GLU B 21 36.239 11.071 -5.643 1.00 0.00 C ATOM 965 OE1 GLU B 21 37.264 11.009 -4.984 1.00 0.00 O ATOM 966 OE2 GLU B 21 36.073 10.490 -6.703 1.00 0.00 O ATOM 0 H GLU B 21 32.924 12.788 -2.883 1.00 0.00 H new ATOM 0 HA GLU B 21 32.779 10.892 -5.099 1.00 0.00 H new ATOM 0 HB2 GLU B 21 34.660 11.948 -2.987 1.00 0.00 H new ATOM 0 HB3 GLU B 21 35.053 10.361 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU B 21 34.311 12.025 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU B 21 35.447 12.935 -4.887 1.00 0.00 H new ATOM 973 N ILE B 22 32.400 9.722 -2.076 1.00 0.00 N ATOM 974 CA ILE B 22 32.009 8.476 -1.356 1.00 0.00 C ATOM 975 C ILE B 22 30.639 8.001 -1.841 1.00 0.00 C ATOM 976 O ILE B 22 30.492 6.907 -2.346 1.00 0.00 O ATOM 977 CB ILE B 22 31.946 8.873 0.117 1.00 0.00 C ATOM 978 CG1 ILE B 22 33.313 9.387 0.568 1.00 0.00 C ATOM 979 CG2 ILE B 22 31.551 7.655 0.955 1.00 0.00 C ATOM 980 CD1 ILE B 22 34.355 8.275 0.425 1.00 0.00 C ATOM 0 H ILE B 22 32.458 10.559 -1.496 1.00 0.00 H new ATOM 0 HA ILE B 22 32.711 7.660 -1.527 1.00 0.00 H new ATOM 0 HB ILE B 22 31.204 9.661 0.251 1.00 0.00 H new ATOM 0 HG12 ILE B 22 33.604 10.250 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE B 22 33.263 9.721 1.604 1.00 0.00 H new ATOM 0 HG21 ILE B 22 31.506 7.936 2.007 1.00 0.00 H new ATOM 0 HG22 ILE B 22 30.574 7.293 0.634 1.00 0.00 H new ATOM 0 HG23 ILE B 22 32.292 6.866 0.822 1.00 0.00 H new ATOM 0 HD11 ILE B 22 35.328 8.645 0.747 1.00 0.00 H new ATOM 0 HD12 ILE B 22 34.067 7.425 1.043 1.00 0.00 H new ATOM 0 HD13 ILE B 22 34.413 7.962 -0.618 1.00 0.00 H new ATOM 992 N GLU B 23 29.637 8.820 -1.692 1.00 0.00 N ATOM 993 CA GLU B 23 28.280 8.425 -2.147 1.00 0.00 C ATOM 994 C GLU B 23 28.319 8.060 -3.633 1.00 0.00 C ATOM 995 O GLU B 23 27.605 7.185 -4.089 1.00 0.00 O ATOM 996 CB GLU B 23 27.419 9.661 -1.876 1.00 0.00 C ATOM 997 CG GLU B 23 25.972 9.383 -2.264 1.00 0.00 C ATOM 998 CD GLU B 23 25.590 10.244 -3.470 1.00 0.00 C ATOM 999 OE1 GLU B 23 25.681 11.455 -3.361 1.00 0.00 O ATOM 1000 OE2 GLU B 23 25.212 9.676 -4.482 1.00 0.00 O ATOM 0 H GLU B 23 29.701 9.748 -1.273 1.00 0.00 H new ATOM 0 HA GLU B 23 27.884 7.548 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU B 23 27.476 9.930 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU B 23 27.799 10.511 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU B 23 25.845 8.327 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU B 23 25.311 9.601 -1.425 1.00 0.00 H new ATOM 1007 N GLU B 24 29.170 8.697 -4.390 1.00 0.00 N ATOM 1008 CA GLU B 24 29.266 8.348 -5.833 1.00 0.00 C ATOM 1009 C GLU B 24 29.654 6.876 -5.952 1.00 0.00 C ATOM 1010 O GLU B 24 29.133 6.140 -6.769 1.00 0.00 O ATOM 1011 CB GLU B 24 30.368 9.248 -6.394 1.00 0.00 C ATOM 1012 CG GLU B 24 30.550 8.960 -7.886 1.00 0.00 C ATOM 1013 CD GLU B 24 29.234 9.224 -8.621 1.00 0.00 C ATOM 1014 OE1 GLU B 24 28.398 8.335 -8.634 1.00 0.00 O ATOM 1015 OE2 GLU B 24 29.085 10.309 -9.157 1.00 0.00 O ATOM 0 H GLU B 24 29.797 9.437 -4.074 1.00 0.00 H new ATOM 0 HA GLU B 24 28.330 8.493 -6.373 1.00 0.00 H new ATOM 0 HB2 GLU B 24 30.108 10.296 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU B 24 31.303 9.072 -5.862 1.00 0.00 H new ATOM 0 HG2 GLU B 24 31.340 9.590 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU B 24 30.859 7.925 -8.032 1.00 0.00 H new ATOM 1022 N LEU B 25 30.558 6.441 -5.119 1.00 0.00 N ATOM 1023 CA LEU B 25 30.983 5.015 -5.151 1.00 0.00 C ATOM 1024 C LEU B 25 29.842 4.126 -4.657 1.00 0.00 C ATOM 1025 O LEU B 25 29.750 2.970 -5.010 1.00 0.00 O ATOM 1026 CB LEU B 25 32.177 4.922 -4.198 1.00 0.00 C ATOM 1027 CG LEU B 25 33.423 4.452 -4.961 1.00 0.00 C ATOM 1028 CD1 LEU B 25 34.544 4.165 -3.961 1.00 0.00 C ATOM 1029 CD2 LEU B 25 33.110 3.174 -5.746 1.00 0.00 C ATOM 0 H LEU B 25 31.022 7.015 -4.415 1.00 0.00 H new ATOM 0 HA LEU B 25 31.245 4.687 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU B 25 32.365 5.894 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU B 25 31.953 4.228 -3.388 1.00 0.00 H new ATOM 0 HG LEU B 25 33.732 5.232 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU B 25 35.432 3.831 -4.497 1.00 0.00 H new ATOM 0 HD12 LEU B 25 34.776 5.073 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU B 25 34.223 3.387 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU B 25 34.001 2.850 -6.283 1.00 0.00 H new ATOM 0 HD22 LEU B 25 32.797 2.390 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU B 25 32.309 3.371 -6.458 1.00 0.00 H new ATOM 1041 N HIS B 26 28.966 4.660 -3.847 1.00 0.00 N ATOM 1042 CA HIS B 26 27.825 3.842 -3.347 1.00 0.00 C ATOM 1043 C HIS B 26 26.888 3.532 -4.514 1.00 0.00 C ATOM 1044 O HIS B 26 26.258 2.495 -4.562 1.00 0.00 O ATOM 1045 CB HIS B 26 27.133 4.700 -2.288 1.00 0.00 C ATOM 1046 CG HIS B 26 25.873 4.014 -1.840 1.00 0.00 C ATOM 1047 ND1 HIS B 26 25.884 2.926 -0.981 1.00 0.00 N ATOM 1048 CD2 HIS B 26 24.556 4.245 -2.135 1.00 0.00 C ATOM 1049 CE1 HIS B 26 24.606 2.548 -0.791 1.00 0.00 C ATOM 1050 NE2 HIS B 26 23.756 3.320 -1.472 1.00 0.00 N ATOM 0 H HIS B 26 28.992 5.623 -3.512 1.00 0.00 H new ATOM 0 HA HIS B 26 28.140 2.890 -2.921 1.00 0.00 H new ATOM 0 HB2 HIS B 26 27.798 4.856 -1.438 1.00 0.00 H new ATOM 0 HB3 HIS B 26 26.900 5.684 -2.695 1.00 0.00 H new ATOM 0 HD1 HIS B 26 26.709 2.491 -0.568 1.00 0.00 H new ATOM 0 HD2 HIS B 26 24.193 5.028 -2.785 1.00 0.00 H new ATOM 0 HE1 HIS B 26 24.305 1.721 -0.164 1.00 0.00 H new ATOM 1058 N LYS B 27 26.811 4.412 -5.473 1.00 0.00 N ATOM 1059 CA LYS B 27 25.943 4.135 -6.649 1.00 0.00 C ATOM 1060 C LYS B 27 26.630 3.068 -7.501 1.00 0.00 C ATOM 1061 O LYS B 27 26.024 2.099 -7.917 1.00 0.00 O ATOM 1062 CB LYS B 27 25.842 5.460 -7.405 1.00 0.00 C ATOM 1063 CG LYS B 27 24.387 5.708 -7.806 1.00 0.00 C ATOM 1064 CD LYS B 27 23.739 6.667 -6.805 1.00 0.00 C ATOM 1065 CE LYS B 27 23.828 8.098 -7.339 1.00 0.00 C ATOM 1066 NZ LYS B 27 22.412 8.522 -7.533 1.00 0.00 N ATOM 0 H LYS B 27 27.307 5.303 -5.493 1.00 0.00 H new ATOM 0 HA LYS B 27 24.951 3.771 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS B 27 26.202 6.277 -6.779 1.00 0.00 H new ATOM 0 HB3 LYS B 27 26.476 5.434 -8.292 1.00 0.00 H new ATOM 0 HG2 LYS B 27 24.342 6.129 -8.811 1.00 0.00 H new ATOM 0 HG3 LYS B 27 23.839 4.766 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS B 27 22.697 6.392 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS B 27 24.240 6.596 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS B 27 24.343 8.751 -6.635 1.00 0.00 H new ATOM 0 HE3 LYS B 27 24.384 8.137 -8.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 22.388 9.495 -7.898 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 21.949 7.886 -8.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 21.910 8.481 -6.623 1.00 0.00 H new ATOM 1080 N LYS B 28 27.907 3.226 -7.733 1.00 0.00 N ATOM 1081 CA LYS B 28 28.651 2.206 -8.523 1.00 0.00 C ATOM 1082 C LYS B 28 28.663 0.883 -7.749 1.00 0.00 C ATOM 1083 O LYS B 28 28.857 -0.177 -8.309 1.00 0.00 O ATOM 1084 CB LYS B 28 30.068 2.764 -8.661 1.00 0.00 C ATOM 1085 CG LYS B 28 30.274 3.289 -10.083 1.00 0.00 C ATOM 1086 CD LYS B 28 29.943 4.782 -10.128 1.00 0.00 C ATOM 1087 CE LYS B 28 30.812 5.466 -11.186 1.00 0.00 C ATOM 1088 NZ LYS B 28 30.013 6.642 -11.635 1.00 0.00 N ATOM 0 H LYS B 28 28.464 4.017 -7.409 1.00 0.00 H new ATOM 0 HA LYS B 28 28.203 2.013 -9.498 1.00 0.00 H new ATOM 0 HB2 LYS B 28 30.226 3.566 -7.940 1.00 0.00 H new ATOM 0 HB3 LYS B 28 30.799 1.987 -8.439 1.00 0.00 H new ATOM 0 HG2 LYS B 28 31.305 3.124 -10.397 1.00 0.00 H new ATOM 0 HG3 LYS B 28 29.637 2.743 -10.779 1.00 0.00 H new ATOM 0 HD2 LYS B 28 28.888 4.925 -10.361 1.00 0.00 H new ATOM 0 HD3 LYS B 28 30.117 5.234 -9.151 1.00 0.00 H new ATOM 0 HE2 LYS B 28 31.771 5.775 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS B 28 31.027 4.793 -12.017 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 30.542 7.164 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 29.109 6.316 -12.032 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 29.830 7.267 -10.824 1.00 0.00 H new ATOM 1102 N PHE B 29 28.436 0.943 -6.461 1.00 0.00 N ATOM 1103 CA PHE B 29 28.407 -0.297 -5.636 1.00 0.00 C ATOM 1104 C PHE B 29 27.125 -1.064 -5.942 1.00 0.00 C ATOM 1105 O PHE B 29 27.141 -2.251 -6.202 1.00 0.00 O ATOM 1106 CB PHE B 29 28.405 0.198 -4.184 1.00 0.00 C ATOM 1107 CG PHE B 29 29.804 0.587 -3.719 1.00 0.00 C ATOM 1108 CD1 PHE B 29 30.929 0.483 -4.582 1.00 0.00 C ATOM 1109 CD2 PHE B 29 29.981 1.054 -2.397 1.00 0.00 C ATOM 1110 CE1 PHE B 29 32.212 0.845 -4.119 1.00 0.00 C ATOM 1111 CE2 PHE B 29 31.267 1.414 -1.937 1.00 0.00 C ATOM 1112 CZ PHE B 29 32.382 1.309 -2.797 1.00 0.00 C ATOM 0 H PHE B 29 28.269 1.806 -5.944 1.00 0.00 H new ATOM 0 HA PHE B 29 29.247 -0.963 -5.832 1.00 0.00 H new ATOM 0 HB2 PHE B 29 27.739 1.056 -4.093 1.00 0.00 H new ATOM 0 HB3 PHE B 29 28.009 -0.582 -3.534 1.00 0.00 H new ATOM 0 HD1 PHE B 29 30.802 0.126 -5.593 1.00 0.00 H new ATOM 0 HD2 PHE B 29 29.130 1.136 -1.736 1.00 0.00 H new ATOM 0 HE1 PHE B 29 33.065 0.767 -4.777 1.00 0.00 H new ATOM 0 HE2 PHE B 29 31.398 1.770 -0.926 1.00 0.00 H new ATOM 0 HZ PHE B 29 33.365 1.584 -2.443 1.00 0.00 H new ATOM 1122 N HIS B 30 26.016 -0.381 -5.922 1.00 0.00 N ATOM 1123 CA HIS B 30 24.717 -1.043 -6.218 1.00 0.00 C ATOM 1124 C HIS B 30 24.697 -1.540 -7.665 1.00 0.00 C ATOM 1125 O HIS B 30 23.966 -2.448 -8.010 1.00 0.00 O ATOM 1126 CB HIS B 30 23.672 0.057 -6.014 1.00 0.00 C ATOM 1127 CG HIS B 30 22.332 -0.567 -5.738 1.00 0.00 C ATOM 1128 ND1 HIS B 30 21.554 -0.197 -4.651 1.00 0.00 N ATOM 1129 CD2 HIS B 30 21.617 -1.535 -6.398 1.00 0.00 C ATOM 1130 CE1 HIS B 30 20.428 -0.933 -4.689 1.00 0.00 C ATOM 1131 NE2 HIS B 30 20.415 -1.765 -5.734 1.00 0.00 N ATOM 0 H HIS B 30 25.954 0.615 -5.712 1.00 0.00 H new ATOM 0 HA HIS B 30 24.533 -1.910 -5.584 1.00 0.00 H new ATOM 0 HB2 HIS B 30 23.963 0.700 -5.183 1.00 0.00 H new ATOM 0 HB3 HIS B 30 23.615 0.688 -6.901 1.00 0.00 H new ATOM 0 HD1 HIS B 30 21.792 0.505 -3.950 1.00 0.00 H new ATOM 0 HD2 HIS B 30 21.938 -2.041 -7.296 1.00 0.00 H new ATOM 0 HE1 HIS B 30 19.632 -0.860 -3.963 1.00 0.00 H new ATOM 1139 N GLU B 31 25.488 -0.947 -8.516 1.00 0.00 N ATOM 1140 CA GLU B 31 25.508 -1.379 -9.943 1.00 0.00 C ATOM 1141 C GLU B 31 26.462 -2.563 -10.145 1.00 0.00 C ATOM 1142 O GLU B 31 26.250 -3.396 -11.003 1.00 0.00 O ATOM 1143 CB GLU B 31 26.002 -0.158 -10.717 1.00 0.00 C ATOM 1144 CG GLU B 31 24.833 0.799 -10.961 1.00 0.00 C ATOM 1145 CD GLU B 31 25.337 2.243 -10.913 1.00 0.00 C ATOM 1146 OE1 GLU B 31 26.496 2.456 -11.230 1.00 0.00 O ATOM 1147 OE2 GLU B 31 24.556 3.111 -10.560 1.00 0.00 O ATOM 0 H GLU B 31 26.122 -0.182 -8.285 1.00 0.00 H new ATOM 0 HA GLU B 31 24.526 -1.713 -10.279 1.00 0.00 H new ATOM 0 HB2 GLU B 31 26.789 0.347 -10.157 1.00 0.00 H new ATOM 0 HB3 GLU B 31 26.437 -0.468 -11.667 1.00 0.00 H new ATOM 0 HG2 GLU B 31 24.377 0.594 -11.930 1.00 0.00 H new ATOM 0 HG3 GLU B 31 24.061 0.647 -10.207 1.00 0.00 H new ATOM 1154 N LEU B 32 27.514 -2.644 -9.374 1.00 0.00 N ATOM 1155 CA LEU B 32 28.470 -3.773 -9.549 1.00 0.00 C ATOM 1156 C LEU B 32 28.012 -5.006 -8.748 1.00 0.00 C ATOM 1157 O LEU B 32 28.523 -6.094 -8.929 1.00 0.00 O ATOM 1158 CB LEU B 32 29.830 -3.223 -9.066 1.00 0.00 C ATOM 1159 CG LEU B 32 30.010 -3.408 -7.551 1.00 0.00 C ATOM 1160 CD1 LEU B 32 30.711 -4.742 -7.282 1.00 0.00 C ATOM 1161 CD2 LEU B 32 30.869 -2.273 -6.990 1.00 0.00 C ATOM 0 H LEU B 32 27.751 -1.981 -8.636 1.00 0.00 H new ATOM 0 HA LEU B 32 28.534 -4.114 -10.582 1.00 0.00 H new ATOM 0 HB2 LEU B 32 30.637 -3.732 -9.594 1.00 0.00 H new ATOM 0 HB3 LEU B 32 29.904 -2.164 -9.315 1.00 0.00 H new ATOM 0 HG LEU B 32 29.032 -3.398 -7.070 1.00 0.00 H new ATOM 0 HD11 LEU B 32 30.840 -4.875 -6.208 1.00 0.00 H new ATOM 0 HD12 LEU B 32 30.106 -5.557 -7.679 1.00 0.00 H new ATOM 0 HD13 LEU B 32 31.687 -4.745 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU B 32 30.994 -2.408 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU B 32 31.846 -2.283 -7.473 1.00 0.00 H new ATOM 0 HD23 LEU B 32 30.380 -1.318 -7.181 1.00 0.00 H new ATOM 1173 N ILE B 33 27.056 -4.850 -7.869 1.00 0.00 N ATOM 1174 CA ILE B 33 26.583 -6.025 -7.072 1.00 0.00 C ATOM 1175 C ILE B 33 25.163 -6.420 -7.494 1.00 0.00 C ATOM 1176 O ILE B 33 24.743 -7.546 -7.313 1.00 0.00 O ATOM 1177 CB ILE B 33 26.618 -5.567 -5.607 1.00 0.00 C ATOM 1178 CG1 ILE B 33 25.533 -4.503 -5.364 1.00 0.00 C ATOM 1179 CG2 ILE B 33 28.010 -4.996 -5.302 1.00 0.00 C ATOM 1180 CD1 ILE B 33 25.723 -3.864 -3.985 1.00 0.00 C ATOM 0 H ILE B 33 26.585 -3.968 -7.668 1.00 0.00 H new ATOM 0 HA ILE B 33 27.208 -6.904 -7.228 1.00 0.00 H new ATOM 0 HB ILE B 33 26.420 -6.412 -4.947 1.00 0.00 H new ATOM 0 HG12 ILE B 33 25.583 -3.737 -6.138 1.00 0.00 H new ATOM 0 HG13 ILE B 33 24.545 -4.958 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE B 33 28.049 -4.667 -4.264 1.00 0.00 H new ATOM 0 HG22 ILE B 33 28.763 -5.766 -5.467 1.00 0.00 H new ATOM 0 HG23 ILE B 33 28.208 -4.149 -5.959 1.00 0.00 H new ATOM 0 HD11 ILE B 33 24.950 -3.112 -3.823 1.00 0.00 H new ATOM 0 HD12 ILE B 33 25.650 -4.632 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE B 33 26.704 -3.392 -3.935 1.00 0.00 H new ATOM 1192 N LYS B 34 24.423 -5.503 -8.055 1.00 0.00 N ATOM 1193 CA LYS B 34 23.034 -5.830 -8.487 1.00 0.00 C ATOM 1194 C LYS B 34 23.055 -6.512 -9.858 1.00 0.00 C ATOM 1195 O LYS B 34 23.546 -5.966 -10.827 1.00 0.00 O ATOM 1196 CB LYS B 34 22.318 -4.481 -8.569 1.00 0.00 C ATOM 1197 CG LYS B 34 20.875 -4.697 -9.029 1.00 0.00 C ATOM 1198 CD LYS B 34 19.952 -4.737 -7.810 1.00 0.00 C ATOM 1199 CE LYS B 34 18.764 -3.801 -8.038 1.00 0.00 C ATOM 1200 NZ LYS B 34 17.570 -4.693 -8.035 1.00 0.00 N ATOM 0 H LYS B 34 24.719 -4.543 -8.233 1.00 0.00 H new ATOM 0 HA LYS B 34 22.536 -6.514 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS B 34 22.331 -3.990 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS B 34 22.838 -3.823 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS B 34 20.572 -3.894 -9.701 1.00 0.00 H new ATOM 0 HG3 LYS B 34 20.796 -5.629 -9.589 1.00 0.00 H new ATOM 0 HD2 LYS B 34 19.600 -5.754 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS B 34 20.499 -4.436 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS B 34 18.697 -3.048 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS B 34 18.857 -3.267 -8.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 16.712 -4.125 -8.186 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 17.659 -5.395 -8.797 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 17.505 -5.182 -7.120 1.00 0.00 H new ATOM 1214 N GLY B 35 22.525 -7.702 -9.948 1.00 0.00 N ATOM 1215 CA GLY B 35 22.516 -8.416 -11.256 1.00 0.00 C ATOM 1216 C GLY B 35 21.191 -9.165 -11.419 1.00 0.00 C ATOM 1217 O GLY B 35 20.724 -9.266 -12.541 1.00 0.00 O ATOM 1218 OXT GLY B 35 20.667 -9.624 -10.418 1.00 0.00 O ATOM 0 H GLY B 35 22.098 -8.210 -9.173 1.00 0.00 H new ATOM 0 HA2 GLY B 35 22.647 -7.705 -12.072 1.00 0.00 H new ATOM 0 HA3 GLY B 35 23.350 -9.116 -11.306 1.00 0.00 H new TER 1222 GLY B 35