USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=4 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 26 HIS : no HE2:sc= -7.89! C(o=-7.9!,f=-9!) 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 30 HIS :FLIP no HE2:sc= -0.559 F(o=-1.1,f=-0.56) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 26 HIS : no HE2:sc= -8.22! C(o=-8.2!,f=-9!) 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 30 HIS :FLIP no HE2:sc= -0.548 F(o=-1.1,f=-0.55) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 41.871 8.434 7.686 1.00 0.00 N ATOM 2 CA GLY A 1 40.677 8.457 6.795 1.00 0.00 C ATOM 3 C GLY A 1 40.609 7.150 6.002 1.00 0.00 C ATOM 4 O GLY A 1 40.600 7.149 4.787 1.00 0.00 O ATOM 0 H1 GLY A 1 41.919 9.322 8.226 1.00 0.00 H new ATOM 0 H2 GLY A 1 41.798 7.632 8.344 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.731 8.332 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 39.770 8.584 7.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.734 9.306 6.114 1.00 0.00 H new ATOM 10 N GLU A 2 40.563 6.036 6.680 1.00 0.00 N ATOM 11 CA GLU A 2 40.497 4.729 5.964 1.00 0.00 C ATOM 12 C GLU A 2 39.091 4.503 5.399 1.00 0.00 C ATOM 13 O GLU A 2 38.925 4.140 4.252 1.00 0.00 O ATOM 14 CB GLU A 2 40.827 3.681 7.027 1.00 0.00 C ATOM 15 CG GLU A 2 42.208 3.085 6.743 1.00 0.00 C ATOM 16 CD GLU A 2 43.278 4.160 6.946 1.00 0.00 C ATOM 17 OE1 GLU A 2 43.427 4.614 8.068 1.00 0.00 O ATOM 18 OE2 GLU A 2 43.930 4.509 5.976 1.00 0.00 O ATOM 0 H GLU A 2 40.568 5.974 7.698 1.00 0.00 H new ATOM 0 HA GLU A 2 41.185 4.684 5.120 1.00 0.00 H new ATOM 0 HB2 GLU A 2 40.812 4.135 8.018 1.00 0.00 H new ATOM 0 HB3 GLU A 2 40.072 2.895 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 2 42.395 2.241 7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 2 42.249 2.704 5.723 1.00 0.00 H new ATOM 25 N VAL A 3 38.079 4.715 6.196 1.00 0.00 N ATOM 26 CA VAL A 3 36.685 4.513 5.703 1.00 0.00 C ATOM 27 C VAL A 3 36.265 5.679 4.802 1.00 0.00 C ATOM 28 O VAL A 3 35.325 5.578 4.039 1.00 0.00 O ATOM 29 CB VAL A 3 35.822 4.473 6.964 1.00 0.00 C ATOM 30 CG1 VAL A 3 35.989 5.782 7.739 1.00 0.00 C ATOM 31 CG2 VAL A 3 34.353 4.297 6.573 1.00 0.00 C ATOM 0 H VAL A 3 38.156 5.019 7.167 1.00 0.00 H new ATOM 0 HA VAL A 3 36.585 3.604 5.110 1.00 0.00 H new ATOM 0 HB VAL A 3 36.134 3.637 7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 3 35.374 5.754 8.638 1.00 0.00 H new ATOM 0 HG12 VAL A 3 37.035 5.908 8.019 1.00 0.00 H new ATOM 0 HG13 VAL A 3 35.678 6.618 7.113 1.00 0.00 H new ATOM 0 HG21 VAL A 3 33.738 4.269 7.472 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.041 5.132 5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.232 3.365 6.021 1.00 0.00 H new ATOM 41 N GLU A 4 36.952 6.785 4.886 1.00 0.00 N ATOM 42 CA GLU A 4 36.590 7.957 4.038 1.00 0.00 C ATOM 43 C GLU A 4 36.893 7.668 2.565 1.00 0.00 C ATOM 44 O GLU A 4 36.388 8.327 1.680 1.00 0.00 O ATOM 45 CB GLU A 4 37.472 9.097 4.543 1.00 0.00 C ATOM 46 CG GLU A 4 36.591 10.241 5.048 1.00 0.00 C ATOM 47 CD GLU A 4 37.467 11.300 5.719 1.00 0.00 C ATOM 48 OE1 GLU A 4 38.013 11.010 6.771 1.00 0.00 O ATOM 49 OE2 GLU A 4 37.579 12.384 5.169 1.00 0.00 O ATOM 0 H GLU A 4 37.749 6.928 5.506 1.00 0.00 H new ATOM 0 HA GLU A 4 35.528 8.195 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 4 38.119 8.742 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 4 38.121 9.451 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 4 36.039 10.683 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 4 35.854 9.862 5.756 1.00 0.00 H new ATOM 56 N GLU A 5 37.717 6.694 2.295 1.00 0.00 N ATOM 57 CA GLU A 5 38.051 6.376 0.878 1.00 0.00 C ATOM 58 C GLU A 5 36.922 5.575 0.229 1.00 0.00 C ATOM 59 O GLU A 5 36.445 5.911 -0.836 1.00 0.00 O ATOM 60 CB GLU A 5 39.329 5.541 0.950 1.00 0.00 C ATOM 61 CG GLU A 5 40.500 6.352 0.393 1.00 0.00 C ATOM 62 CD GLU A 5 41.804 5.581 0.611 1.00 0.00 C ATOM 63 OE1 GLU A 5 41.972 4.550 -0.020 1.00 0.00 O ATOM 64 OE2 GLU A 5 42.612 6.034 1.404 1.00 0.00 O ATOM 0 H GLU A 5 38.173 6.105 2.992 1.00 0.00 H new ATOM 0 HA GLU A 5 38.184 7.275 0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 5 39.530 5.253 1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.207 4.620 0.380 1.00 0.00 H new ATOM 0 HG2 GLU A 5 40.351 6.543 -0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 5 40.552 7.322 0.887 1.00 0.00 H new ATOM 71 N LEU A 6 36.486 4.519 0.859 1.00 0.00 N ATOM 72 CA LEU A 6 35.385 3.709 0.265 1.00 0.00 C ATOM 73 C LEU A 6 34.083 4.530 0.287 1.00 0.00 C ATOM 74 O LEU A 6 33.212 4.363 -0.546 1.00 0.00 O ATOM 75 CB LEU A 6 35.337 2.418 1.127 1.00 0.00 C ATOM 76 CG LEU A 6 34.081 2.339 2.013 1.00 0.00 C ATOM 77 CD1 LEU A 6 32.896 1.861 1.178 1.00 0.00 C ATOM 78 CD2 LEU A 6 34.319 1.335 3.146 1.00 0.00 C ATOM 0 H LEU A 6 36.842 4.183 1.754 1.00 0.00 H new ATOM 0 HA LEU A 6 35.534 3.443 -0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 6 35.369 1.548 0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 6 36.225 2.375 1.758 1.00 0.00 H new ATOM 0 HG LEU A 6 33.871 3.326 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 6 32.007 1.805 1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 6 32.720 2.561 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 6 33.114 0.874 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 6 33.430 1.278 3.774 1.00 0.00 H new ATOM 0 HD22 LEU A 6 34.528 0.352 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 6 35.168 1.660 3.747 1.00 0.00 H new ATOM 90 N GLU A 7 33.962 5.433 1.222 1.00 0.00 N ATOM 91 CA GLU A 7 32.737 6.283 1.291 1.00 0.00 C ATOM 92 C GLU A 7 32.726 7.271 0.126 1.00 0.00 C ATOM 93 O GLU A 7 31.760 7.379 -0.608 1.00 0.00 O ATOM 94 CB GLU A 7 32.854 7.036 2.615 1.00 0.00 C ATOM 95 CG GLU A 7 31.512 7.689 2.952 1.00 0.00 C ATOM 96 CD GLU A 7 31.757 8.992 3.717 1.00 0.00 C ATOM 97 OE1 GLU A 7 32.829 9.554 3.564 1.00 0.00 O ATOM 98 OE2 GLU A 7 30.868 9.406 4.443 1.00 0.00 O ATOM 0 H GLU A 7 34.659 5.620 1.943 1.00 0.00 H new ATOM 0 HA GLU A 7 31.821 5.696 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 7 33.147 6.351 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 7 33.633 7.796 2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.954 7.891 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.906 7.011 3.552 1.00 0.00 H new ATOM 105 N LYS A 8 33.796 7.995 -0.044 1.00 0.00 N ATOM 106 CA LYS A 8 33.856 8.982 -1.157 1.00 0.00 C ATOM 107 C LYS A 8 33.619 8.283 -2.491 1.00 0.00 C ATOM 108 O LYS A 8 32.820 8.718 -3.288 1.00 0.00 O ATOM 109 CB LYS A 8 35.265 9.572 -1.097 1.00 0.00 C ATOM 110 CG LYS A 8 35.180 11.098 -1.039 1.00 0.00 C ATOM 111 CD LYS A 8 35.776 11.591 0.281 1.00 0.00 C ATOM 112 CE LYS A 8 37.252 11.940 0.075 1.00 0.00 C ATOM 113 NZ LYS A 8 37.264 13.409 -0.177 1.00 0.00 N ATOM 0 H LYS A 8 34.631 7.946 0.539 1.00 0.00 H new ATOM 0 HA LYS A 8 33.093 9.755 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 8 35.792 9.193 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 8 35.837 9.263 -1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 8 35.719 11.535 -1.880 1.00 0.00 H new ATOM 0 HG3 LYS A 8 34.142 11.419 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 8 35.230 12.466 0.635 1.00 0.00 H new ATOM 0 HD3 LYS A 8 35.676 10.822 1.047 1.00 0.00 H new ATOM 0 HE2 LYS A 8 37.845 11.684 0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 8 37.675 11.391 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 38.242 13.727 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 36.696 13.621 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 36.862 13.905 0.644 1.00 0.00 H new ATOM 127 N LYS A 9 34.291 7.198 -2.734 1.00 0.00 N ATOM 128 CA LYS A 9 34.076 6.470 -4.014 1.00 0.00 C ATOM 129 C LYS A 9 32.613 6.038 -4.099 1.00 0.00 C ATOM 130 O LYS A 9 32.054 5.883 -5.167 1.00 0.00 O ATOM 131 CB LYS A 9 34.998 5.253 -3.938 1.00 0.00 C ATOM 132 CG LYS A 9 36.348 5.594 -4.574 1.00 0.00 C ATOM 133 CD LYS A 9 36.174 5.757 -6.085 1.00 0.00 C ATOM 134 CE LYS A 9 36.818 7.070 -6.534 1.00 0.00 C ATOM 135 NZ LYS A 9 35.795 7.719 -7.403 1.00 0.00 N ATOM 0 H LYS A 9 34.978 6.783 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 9 34.292 7.077 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 9 35.139 4.954 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 9 34.544 4.407 -4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 9 36.744 6.513 -4.142 1.00 0.00 H new ATOM 0 HG3 LYS A 9 37.071 4.806 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 9 36.633 4.917 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 9 35.115 5.752 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 9 37.069 7.700 -5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 9 37.744 6.890 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 36.162 8.628 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 35.581 7.099 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 34.927 7.884 -6.854 1.00 0.00 H new ATOM 149 N PHE A 10 31.995 5.844 -2.968 1.00 0.00 N ATOM 150 CA PHE A 10 30.567 5.423 -2.946 1.00 0.00 C ATOM 151 C PHE A 10 29.672 6.479 -3.609 1.00 0.00 C ATOM 152 O PHE A 10 29.068 6.240 -4.638 1.00 0.00 O ATOM 153 CB PHE A 10 30.237 5.302 -1.454 1.00 0.00 C ATOM 154 CG PHE A 10 29.127 4.304 -1.244 1.00 0.00 C ATOM 155 CD1 PHE A 10 29.358 2.931 -1.475 1.00 0.00 C ATOM 156 CD2 PHE A 10 27.861 4.744 -0.795 1.00 0.00 C ATOM 157 CE1 PHE A 10 28.322 1.996 -1.262 1.00 0.00 C ATOM 158 CE2 PHE A 10 26.825 3.809 -0.578 1.00 0.00 C ATOM 159 CZ PHE A 10 27.057 2.434 -0.813 1.00 0.00 C ATOM 0 H PHE A 10 32.422 5.960 -2.049 1.00 0.00 H new ATOM 0 HA PHE A 10 30.400 4.496 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 10 31.124 4.991 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.941 6.274 -1.060 1.00 0.00 H new ATOM 0 HD1 PHE A 10 30.327 2.596 -1.815 1.00 0.00 H new ATOM 0 HD2 PHE A 10 27.686 5.795 -0.618 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.497 0.946 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 10 25.858 4.143 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 10 26.265 1.718 -0.649 1.00 0.00 H new ATOM 169 N LYS A 11 29.570 7.642 -3.023 1.00 0.00 N ATOM 170 CA LYS A 11 28.693 8.697 -3.615 1.00 0.00 C ATOM 171 C LYS A 11 29.195 9.120 -4.997 1.00 0.00 C ATOM 172 O LYS A 11 28.423 9.468 -5.871 1.00 0.00 O ATOM 173 CB LYS A 11 28.774 9.862 -2.633 1.00 0.00 C ATOM 174 CG LYS A 11 27.820 10.972 -3.076 1.00 0.00 C ATOM 175 CD LYS A 11 26.454 10.760 -2.420 1.00 0.00 C ATOM 176 CE LYS A 11 25.598 12.013 -2.608 1.00 0.00 C ATOM 177 NZ LYS A 11 25.089 12.335 -1.245 1.00 0.00 N ATOM 0 H LYS A 11 30.053 7.908 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 11 27.672 8.345 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.514 9.524 -1.630 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.795 10.242 -2.587 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.223 11.946 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 11 27.719 10.968 -4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.956 9.897 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 11 26.578 10.547 -1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 11 26.185 12.836 -3.015 1.00 0.00 H new ATOM 0 HE3 LYS A 11 24.779 11.831 -3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 24.491 13.185 -1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 24.528 11.536 -0.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.892 12.509 -0.607 1.00 0.00 H new ATOM 191 N GLU A 12 30.476 9.093 -5.201 1.00 0.00 N ATOM 192 CA GLU A 12 31.031 9.495 -6.523 1.00 0.00 C ATOM 193 C GLU A 12 30.727 8.425 -7.568 1.00 0.00 C ATOM 194 O GLU A 12 30.720 8.688 -8.755 1.00 0.00 O ATOM 195 CB GLU A 12 32.539 9.612 -6.303 1.00 0.00 C ATOM 196 CG GLU A 12 32.906 11.077 -6.062 1.00 0.00 C ATOM 197 CD GLU A 12 34.359 11.167 -5.590 1.00 0.00 C ATOM 198 OE1 GLU A 12 35.232 10.766 -6.342 1.00 0.00 O ATOM 199 OE2 GLU A 12 34.573 11.635 -4.484 1.00 0.00 O ATOM 0 H GLU A 12 31.169 8.809 -4.508 1.00 0.00 H new ATOM 0 HA GLU A 12 30.599 10.428 -6.885 1.00 0.00 H new ATOM 0 HB2 GLU A 12 32.841 9.005 -5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 12 33.075 9.230 -7.172 1.00 0.00 H new ATOM 0 HG2 GLU A 12 32.774 11.652 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 12 32.242 11.511 -5.315 1.00 0.00 H new ATOM 206 N LEU A 13 30.474 7.220 -7.142 1.00 0.00 N ATOM 207 CA LEU A 13 30.171 6.145 -8.122 1.00 0.00 C ATOM 208 C LEU A 13 28.713 6.247 -8.573 1.00 0.00 C ATOM 209 O LEU A 13 28.397 6.035 -9.727 1.00 0.00 O ATOM 210 CB LEU A 13 30.433 4.840 -7.374 1.00 0.00 C ATOM 211 CG LEU A 13 31.823 4.325 -7.753 1.00 0.00 C ATOM 212 CD1 LEU A 13 32.233 3.198 -6.805 1.00 0.00 C ATOM 213 CD2 LEU A 13 31.794 3.799 -9.189 1.00 0.00 C ATOM 0 H LEU A 13 30.464 6.935 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 13 30.780 6.213 -9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 13 30.371 5.003 -6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 13 29.674 4.100 -7.628 1.00 0.00 H new ATOM 0 HG LEU A 13 32.544 5.139 -7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 13 33.223 2.834 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 13 32.254 3.573 -5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 13 31.514 2.382 -6.878 1.00 0.00 H new ATOM 0 HD21 LEU A 13 32.783 3.431 -9.462 1.00 0.00 H new ATOM 0 HD22 LEU A 13 31.071 2.986 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 13 31.507 4.604 -9.866 1.00 0.00 H new ATOM 225 N TRP A 14 27.823 6.587 -7.681 1.00 0.00 N ATOM 226 CA TRP A 14 26.390 6.717 -8.082 1.00 0.00 C ATOM 227 C TRP A 14 26.234 7.882 -9.053 1.00 0.00 C ATOM 228 O TRP A 14 25.603 7.768 -10.085 1.00 0.00 O ATOM 229 CB TRP A 14 25.632 7.016 -6.792 1.00 0.00 C ATOM 230 CG TRP A 14 24.864 5.809 -6.384 1.00 0.00 C ATOM 231 CD1 TRP A 14 23.683 5.398 -6.913 1.00 0.00 C ATOM 232 CD2 TRP A 14 25.210 4.848 -5.367 1.00 0.00 C ATOM 233 NE1 TRP A 14 23.289 4.240 -6.276 1.00 0.00 N ATOM 234 CE2 TRP A 14 24.196 3.859 -5.317 1.00 0.00 C ATOM 235 CE3 TRP A 14 26.305 4.735 -4.482 1.00 0.00 C ATOM 236 CZ2 TRP A 14 24.266 2.794 -4.417 1.00 0.00 C ATOM 237 CZ3 TRP A 14 26.385 3.666 -3.575 1.00 0.00 C ATOM 238 CH2 TRP A 14 25.369 2.693 -3.541 1.00 0.00 C ATOM 0 H TRP A 14 28.022 6.779 -6.699 1.00 0.00 H new ATOM 0 HA TRP A 14 26.019 5.818 -8.573 1.00 0.00 H new ATOM 0 HB2 TRP A 14 26.329 7.301 -6.004 1.00 0.00 H new ATOM 0 HB3 TRP A 14 24.956 7.858 -6.940 1.00 0.00 H new ATOM 0 HD1 TRP A 14 23.141 5.896 -7.703 1.00 0.00 H new ATOM 0 HE1 TRP A 14 22.432 3.730 -6.490 1.00 0.00 H new ATOM 0 HE3 TRP A 14 27.088 5.478 -4.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 23.482 2.052 -4.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 27.227 3.591 -2.903 1.00 0.00 H new ATOM 0 HH2 TRP A 14 25.433 1.869 -2.845 1.00 0.00 H new ATOM 249 N LYS A 15 26.804 9.005 -8.723 1.00 0.00 N ATOM 250 CA LYS A 15 26.691 10.185 -9.617 1.00 0.00 C ATOM 251 C LYS A 15 27.987 10.361 -10.410 1.00 0.00 C ATOM 252 O LYS A 15 28.845 11.148 -10.061 1.00 0.00 O ATOM 253 CB LYS A 15 26.454 11.357 -8.669 1.00 0.00 C ATOM 254 CG LYS A 15 26.427 12.663 -9.465 1.00 0.00 C ATOM 255 CD LYS A 15 25.175 12.697 -10.345 1.00 0.00 C ATOM 256 CE LYS A 15 24.582 14.107 -10.337 1.00 0.00 C ATOM 257 NZ LYS A 15 24.207 14.373 -11.755 1.00 0.00 N ATOM 0 H LYS A 15 27.344 9.156 -7.871 1.00 0.00 H new ATOM 0 HA LYS A 15 25.891 10.093 -10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 15 25.512 11.223 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 15 27.242 11.394 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 15 26.431 13.516 -8.786 1.00 0.00 H new ATOM 0 HG3 LYS A 15 27.321 12.744 -10.083 1.00 0.00 H new ATOM 0 HD2 LYS A 15 25.426 12.403 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 15 24.440 11.980 -9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.714 14.167 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 15 25.305 14.838 -9.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.792 15.324 -11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 25.055 14.316 -12.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.512 13.666 -12.069 1.00 0.00 H new ATOM 271 N GLY A 16 28.134 9.618 -11.472 1.00 0.00 N ATOM 272 CA GLY A 16 29.370 9.714 -12.297 1.00 0.00 C ATOM 273 C GLY A 16 29.459 8.475 -13.195 1.00 0.00 C ATOM 274 O GLY A 16 28.921 8.460 -14.284 1.00 0.00 O ATOM 0 H GLY A 16 27.445 8.944 -11.806 1.00 0.00 H new ATOM 0 HA2 GLY A 16 29.350 10.620 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 16 30.249 9.779 -11.655 1.00 0.00 H new ATOM 278 N PRO A 17 30.132 7.467 -12.700 1.00 0.00 N ATOM 279 CA PRO A 17 30.282 6.207 -13.464 1.00 0.00 C ATOM 280 C PRO A 17 28.977 5.403 -13.395 1.00 0.00 C ATOM 281 O PRO A 17 27.925 5.944 -13.120 1.00 0.00 O ATOM 282 CB PRO A 17 31.415 5.484 -12.739 1.00 0.00 C ATOM 283 CG PRO A 17 31.394 6.022 -11.342 1.00 0.00 C ATOM 284 CD PRO A 17 30.811 7.412 -11.400 1.00 0.00 C ATOM 0 HA PRO A 17 30.496 6.357 -14.522 1.00 0.00 H new ATOM 0 HB2 PRO A 17 31.262 4.405 -12.748 1.00 0.00 H new ATOM 0 HB3 PRO A 17 32.375 5.674 -13.220 1.00 0.00 H new ATOM 0 HG2 PRO A 17 30.795 5.382 -10.694 1.00 0.00 H new ATOM 0 HG3 PRO A 17 32.401 6.046 -10.925 1.00 0.00 H new ATOM 0 HD2 PRO A 17 30.114 7.586 -10.580 1.00 0.00 H new ATOM 0 HD3 PRO A 17 31.588 8.173 -11.325 1.00 0.00 H new ATOM 292 N ARG A 18 29.032 4.119 -13.641 1.00 0.00 N ATOM 293 CA ARG A 18 27.788 3.293 -13.583 1.00 0.00 C ATOM 294 C ARG A 18 27.026 3.566 -12.276 1.00 0.00 C ATOM 295 O ARG A 18 27.491 4.288 -11.417 1.00 0.00 O ATOM 296 CB ARG A 18 28.271 1.829 -13.668 1.00 0.00 C ATOM 297 CG ARG A 18 28.733 1.308 -12.295 1.00 0.00 C ATOM 298 CD ARG A 18 29.990 2.056 -11.847 1.00 0.00 C ATOM 299 NE ARG A 18 30.998 1.806 -12.920 1.00 0.00 N ATOM 300 CZ ARG A 18 31.403 0.589 -13.166 1.00 0.00 C ATOM 301 NH1 ARG A 18 31.839 -0.162 -12.193 1.00 0.00 N ATOM 302 NH2 ARG A 18 31.369 0.123 -14.384 1.00 0.00 N ATOM 0 H ARG A 18 29.882 3.608 -13.879 1.00 0.00 H new ATOM 0 HA ARG A 18 27.094 3.526 -14.391 1.00 0.00 H new ATOM 0 HB2 ARG A 18 27.465 1.200 -14.045 1.00 0.00 H new ATOM 0 HB3 ARG A 18 29.092 1.756 -14.381 1.00 0.00 H new ATOM 0 HG2 ARG A 18 27.939 1.442 -11.560 1.00 0.00 H new ATOM 0 HG3 ARG A 18 28.937 0.239 -12.353 1.00 0.00 H new ATOM 0 HD2 ARG A 18 29.794 3.122 -11.732 1.00 0.00 H new ATOM 0 HD3 ARG A 18 30.343 1.691 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 18 31.370 2.586 -13.461 1.00 0.00 H new ATOM 0 HH11 ARG A 18 31.864 0.201 -11.240 1.00 0.00 H new ATOM 0 HH12 ARG A 18 32.155 -1.113 -12.385 1.00 0.00 H new ATOM 0 HH21 ARG A 18 31.026 0.709 -15.145 1.00 0.00 H new ATOM 0 HH22 ARG A 18 31.685 -0.828 -14.575 1.00 0.00 H new ATOM 316 N ARG A 19 25.868 2.991 -12.118 1.00 0.00 N ATOM 317 CA ARG A 19 25.097 3.225 -10.864 1.00 0.00 C ATOM 318 C ARG A 19 24.426 1.930 -10.393 1.00 0.00 C ATOM 319 O ARG A 19 24.380 1.638 -9.215 1.00 0.00 O ATOM 320 CB ARG A 19 24.044 4.269 -11.235 1.00 0.00 C ATOM 321 CG ARG A 19 23.306 4.720 -9.973 1.00 0.00 C ATOM 322 CD ARG A 19 22.100 5.577 -10.366 1.00 0.00 C ATOM 323 NE ARG A 19 20.921 4.855 -9.808 1.00 0.00 N ATOM 324 CZ ARG A 19 19.714 5.231 -10.130 1.00 0.00 C ATOM 325 NH1 ARG A 19 19.473 6.481 -10.415 1.00 0.00 N ATOM 326 NH2 ARG A 19 18.746 4.356 -10.166 1.00 0.00 N ATOM 0 H ARG A 19 25.423 2.373 -12.797 1.00 0.00 H new ATOM 0 HA ARG A 19 25.737 3.560 -10.048 1.00 0.00 H new ATOM 0 HB2 ARG A 19 24.518 5.124 -11.717 1.00 0.00 H new ATOM 0 HB3 ARG A 19 23.338 3.850 -11.952 1.00 0.00 H new ATOM 0 HG2 ARG A 19 22.978 3.852 -9.401 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.977 5.290 -9.331 1.00 0.00 H new ATOM 0 HD2 ARG A 19 22.179 6.583 -9.954 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.024 5.681 -11.448 1.00 0.00 H new ATOM 0 HE ARG A 19 21.058 4.067 -9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 19 20.229 7.165 -10.386 1.00 0.00 H new ATOM 0 HH12 ARG A 19 18.529 6.774 -10.667 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.933 3.379 -9.942 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.802 4.650 -10.418 1.00 0.00 H new ATOM 340 N GLY A 20 23.900 1.155 -11.301 1.00 0.00 N ATOM 341 CA GLY A 20 23.228 -0.114 -10.899 1.00 0.00 C ATOM 342 C GLY A 20 24.247 -1.063 -10.265 1.00 0.00 C ATOM 343 O GLY A 20 23.945 -1.776 -9.328 1.00 0.00 O ATOM 0 H GLY A 20 23.906 1.345 -12.303 1.00 0.00 H new ATOM 0 HA2 GLY A 20 22.425 0.097 -10.192 1.00 0.00 H new ATOM 0 HA3 GLY A 20 22.771 -0.585 -11.769 1.00 0.00 H new ATOM 347 N GLU A 21 25.451 -1.085 -10.769 1.00 0.00 N ATOM 348 CA GLU A 21 26.483 -1.996 -10.194 1.00 0.00 C ATOM 349 C GLU A 21 26.922 -1.507 -8.810 1.00 0.00 C ATOM 350 O GLU A 21 27.316 -2.286 -7.965 1.00 0.00 O ATOM 351 CB GLU A 21 27.651 -1.943 -11.178 1.00 0.00 C ATOM 352 CG GLU A 21 27.847 -3.323 -11.809 1.00 0.00 C ATOM 353 CD GLU A 21 29.272 -3.437 -12.355 1.00 0.00 C ATOM 354 OE1 GLU A 21 30.197 -3.263 -11.579 1.00 0.00 O ATOM 355 OE2 GLU A 21 29.413 -3.697 -13.538 1.00 0.00 O ATOM 0 H GLU A 21 25.765 -0.513 -11.553 1.00 0.00 H new ATOM 0 HA GLU A 21 26.106 -3.010 -10.062 1.00 0.00 H new ATOM 0 HB2 GLU A 21 27.455 -1.201 -11.952 1.00 0.00 H new ATOM 0 HB3 GLU A 21 28.561 -1.634 -10.663 1.00 0.00 H new ATOM 0 HG2 GLU A 21 27.667 -4.102 -11.068 1.00 0.00 H new ATOM 0 HG3 GLU A 21 27.125 -3.473 -12.612 1.00 0.00 H new ATOM 362 N ILE A 22 26.858 -0.226 -8.571 1.00 0.00 N ATOM 363 CA ILE A 22 27.273 0.305 -7.239 1.00 0.00 C ATOM 364 C ILE A 22 26.225 -0.048 -6.184 1.00 0.00 C ATOM 365 O ILE A 22 26.532 -0.609 -5.149 1.00 0.00 O ATOM 366 CB ILE A 22 27.364 1.816 -7.425 1.00 0.00 C ATOM 367 CG1 ILE A 22 28.346 2.131 -8.555 1.00 0.00 C ATOM 368 CG2 ILE A 22 27.845 2.457 -6.123 1.00 0.00 C ATOM 369 CD1 ILE A 22 29.746 1.639 -8.177 1.00 0.00 C ATOM 0 H ILE A 22 26.537 0.476 -9.238 1.00 0.00 H new ATOM 0 HA ILE A 22 28.219 -0.118 -6.900 1.00 0.00 H new ATOM 0 HB ILE A 22 26.383 2.216 -7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.019 1.652 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 22 28.366 3.204 -8.743 1.00 0.00 H new ATOM 0 HG21 ILE A 22 27.911 3.537 -6.252 1.00 0.00 H new ATOM 0 HG22 ILE A 22 27.140 2.230 -5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 22 28.827 2.062 -5.864 1.00 0.00 H new ATOM 0 HD11 ILE A 22 30.442 1.866 -8.985 1.00 0.00 H new ATOM 0 HD12 ILE A 22 30.073 2.139 -7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 22 29.721 0.562 -8.011 1.00 0.00 H new ATOM 381 N GLU A 23 24.987 0.263 -6.437 1.00 0.00 N ATOM 382 CA GLU A 23 23.933 -0.075 -5.453 1.00 0.00 C ATOM 383 C GLU A 23 23.882 -1.593 -5.295 1.00 0.00 C ATOM 384 O GLU A 23 23.529 -2.111 -4.251 1.00 0.00 O ATOM 385 CB GLU A 23 22.649 0.507 -6.052 1.00 0.00 C ATOM 386 CG GLU A 23 21.477 0.266 -5.110 1.00 0.00 C ATOM 387 CD GLU A 23 20.456 -0.654 -5.785 1.00 0.00 C ATOM 388 OE1 GLU A 23 20.041 -0.337 -6.887 1.00 0.00 O ATOM 389 OE2 GLU A 23 20.108 -1.659 -5.187 1.00 0.00 O ATOM 0 H GLU A 23 24.663 0.735 -7.281 1.00 0.00 H new ATOM 0 HA GLU A 23 24.101 0.330 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.772 1.576 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 23 22.449 0.047 -7.020 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.830 -0.184 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 23 21.009 1.214 -4.846 1.00 0.00 H new ATOM 396 N GLU A 24 24.292 -2.315 -6.303 1.00 0.00 N ATOM 397 CA GLU A 24 24.325 -3.793 -6.176 1.00 0.00 C ATOM 398 C GLU A 24 25.434 -4.141 -5.187 1.00 0.00 C ATOM 399 O GLU A 24 25.328 -5.059 -4.398 1.00 0.00 O ATOM 400 CB GLU A 24 24.654 -4.319 -7.574 1.00 0.00 C ATOM 401 CG GLU A 24 24.517 -5.842 -7.588 1.00 0.00 C ATOM 402 CD GLU A 24 24.415 -6.333 -9.034 1.00 0.00 C ATOM 403 OE1 GLU A 24 23.409 -6.052 -9.664 1.00 0.00 O ATOM 404 OE2 GLU A 24 25.345 -6.980 -9.486 1.00 0.00 O ATOM 0 H GLU A 24 24.603 -1.945 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 24 23.390 -4.224 -5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 24 23.982 -3.876 -8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.667 -4.031 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 24 25.376 -6.299 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 24 23.632 -6.143 -7.027 1.00 0.00 H new ATOM 411 N LEU A 25 26.493 -3.375 -5.217 1.00 0.00 N ATOM 412 CA LEU A 25 27.623 -3.605 -4.274 1.00 0.00 C ATOM 413 C LEU A 25 27.137 -3.384 -2.844 1.00 0.00 C ATOM 414 O LEU A 25 27.637 -3.974 -1.913 1.00 0.00 O ATOM 415 CB LEU A 25 28.676 -2.556 -4.633 1.00 0.00 C ATOM 416 CG LEU A 25 29.960 -2.838 -3.849 1.00 0.00 C ATOM 417 CD1 LEU A 25 30.671 -4.055 -4.442 1.00 0.00 C ATOM 418 CD2 LEU A 25 30.883 -1.621 -3.923 1.00 0.00 C ATOM 0 H LEU A 25 26.623 -2.594 -5.860 1.00 0.00 H new ATOM 0 HA LEU A 25 28.022 -4.617 -4.345 1.00 0.00 H new ATOM 0 HB2 LEU A 25 28.878 -2.579 -5.704 1.00 0.00 H new ATOM 0 HB3 LEU A 25 28.306 -1.558 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 25 29.708 -3.040 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 25 31.584 -4.252 -3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 25 30.015 -4.924 -4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 25 30.921 -3.858 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 25 31.797 -1.823 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 25 31.132 -1.416 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 25 30.379 -0.755 -3.493 1.00 0.00 H new ATOM 430 N HIS A 26 26.162 -2.530 -2.668 1.00 0.00 N ATOM 431 CA HIS A 26 25.638 -2.273 -1.296 1.00 0.00 C ATOM 432 C HIS A 26 24.814 -3.475 -0.822 1.00 0.00 C ATOM 433 O HIS A 26 24.874 -3.866 0.326 1.00 0.00 O ATOM 434 CB HIS A 26 24.764 -1.025 -1.421 1.00 0.00 C ATOM 435 CG HIS A 26 24.082 -0.770 -0.105 1.00 0.00 C ATOM 436 ND1 HIS A 26 24.769 -0.346 1.021 1.00 0.00 N ATOM 437 CD2 HIS A 26 22.776 -0.899 0.279 1.00 0.00 C ATOM 438 CE1 HIS A 26 23.875 -0.238 2.023 1.00 0.00 C ATOM 439 NE2 HIS A 26 22.645 -0.565 1.622 1.00 0.00 N ATOM 0 H HIS A 26 25.708 -2.002 -3.413 1.00 0.00 H new ATOM 0 HA HIS A 26 26.435 -2.125 -0.567 1.00 0.00 H new ATOM 0 HB2 HIS A 26 25.373 -0.166 -1.702 1.00 0.00 H new ATOM 0 HB3 HIS A 26 24.023 -1.162 -2.209 1.00 0.00 H new ATOM 0 HD1 HIS A 26 25.768 -0.151 1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 26 21.968 -1.213 -0.365 1.00 0.00 H new ATOM 0 HE1 HIS A 26 24.123 0.075 3.027 1.00 0.00 H new ATOM 447 N LYS A 27 24.053 -4.074 -1.694 1.00 0.00 N ATOM 448 CA LYS A 27 23.252 -5.259 -1.271 1.00 0.00 C ATOM 449 C LYS A 27 24.205 -6.360 -0.799 1.00 0.00 C ATOM 450 O LYS A 27 24.046 -6.928 0.268 1.00 0.00 O ATOM 451 CB LYS A 27 22.490 -5.697 -2.521 1.00 0.00 C ATOM 452 CG LYS A 27 21.583 -4.557 -2.986 1.00 0.00 C ATOM 453 CD LYS A 27 20.170 -5.092 -3.225 1.00 0.00 C ATOM 454 CE LYS A 27 19.910 -5.184 -4.729 1.00 0.00 C ATOM 455 NZ LYS A 27 19.080 -6.410 -4.898 1.00 0.00 N ATOM 0 H LYS A 27 23.950 -3.800 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 27 22.568 -5.040 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 27 23.190 -5.966 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 27 21.896 -6.585 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 27 21.562 -3.766 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 27 21.976 -4.116 -3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.058 -6.074 -2.765 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.437 -4.435 -2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.388 -4.300 -5.095 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.843 -5.258 -5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.859 -6.543 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 19.605 -7.236 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.196 -6.308 -4.360 1.00 0.00 H new ATOM 469 N LYS A 28 25.210 -6.651 -1.579 1.00 0.00 N ATOM 470 CA LYS A 28 26.186 -7.694 -1.169 1.00 0.00 C ATOM 471 C LYS A 28 26.879 -7.252 0.119 1.00 0.00 C ATOM 472 O LYS A 28 27.126 -8.045 1.001 1.00 0.00 O ATOM 473 CB LYS A 28 27.187 -7.782 -2.321 1.00 0.00 C ATOM 474 CG LYS A 28 26.871 -9.009 -3.178 1.00 0.00 C ATOM 475 CD LYS A 28 25.690 -8.697 -4.099 1.00 0.00 C ATOM 476 CE LYS A 28 24.387 -9.134 -3.425 1.00 0.00 C ATOM 477 NZ LYS A 28 23.367 -9.102 -4.511 1.00 0.00 N ATOM 0 H LYS A 28 25.395 -6.211 -2.480 1.00 0.00 H new ATOM 0 HA LYS A 28 25.719 -8.660 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 28 27.139 -6.878 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 28 28.202 -7.850 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 28 27.743 -9.287 -3.769 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.633 -9.860 -2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.658 -7.630 -4.318 1.00 0.00 H new ATOM 0 HD3 LYS A 28 25.811 -9.214 -5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 28 24.478 -10.133 -2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.118 -8.462 -2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 22.444 -9.390 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.298 -8.138 -4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 23.647 -9.756 -5.269 1.00 0.00 H new ATOM 491 N PHE A 29 27.171 -5.981 0.236 1.00 0.00 N ATOM 492 CA PHE A 29 27.829 -5.465 1.474 1.00 0.00 C ATOM 493 C PHE A 29 27.006 -5.883 2.689 1.00 0.00 C ATOM 494 O PHE A 29 27.536 -6.228 3.726 1.00 0.00 O ATOM 495 CB PHE A 29 27.829 -3.939 1.321 1.00 0.00 C ATOM 496 CG PHE A 29 29.047 -3.463 0.548 1.00 0.00 C ATOM 497 CD1 PHE A 29 29.830 -4.366 -0.215 1.00 0.00 C ATOM 498 CD2 PHE A 29 29.397 -2.095 0.591 1.00 0.00 C ATOM 499 CE1 PHE A 29 30.956 -3.897 -0.928 1.00 0.00 C ATOM 500 CE2 PHE A 29 30.521 -1.629 -0.122 1.00 0.00 C ATOM 501 CZ PHE A 29 31.301 -2.528 -0.881 1.00 0.00 C ATOM 0 H PHE A 29 26.981 -5.276 -0.476 1.00 0.00 H new ATOM 0 HA PHE A 29 28.839 -5.852 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.922 -3.623 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 29 27.815 -3.472 2.306 1.00 0.00 H new ATOM 0 HD1 PHE A 29 29.566 -5.413 -0.251 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.803 -1.405 1.171 1.00 0.00 H new ATOM 0 HE1 PHE A 29 31.553 -4.585 -1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 29 30.785 -0.582 -0.087 1.00 0.00 H new ATOM 0 HZ PHE A 29 32.162 -2.169 -1.426 1.00 0.00 H new ATOM 511 N HIS A 30 25.708 -5.876 2.555 1.00 0.00 N ATOM 512 CA HIS A 30 24.843 -6.296 3.688 1.00 0.00 C ATOM 513 C HIS A 30 25.096 -7.775 3.968 1.00 0.00 C ATOM 514 O HIS A 30 25.305 -8.179 5.094 1.00 0.00 O ATOM 515 CB HIS A 30 23.412 -6.058 3.202 1.00 0.00 C ATOM 516 CG HIS A 30 22.445 -6.359 4.314 1.00 0.00 C ATOM 517 ND1 HIS A 30 22.623 -6.891 5.567 1.00 0.00 N flip ATOM 518 CD2 HIS A 30 21.087 -6.106 4.200 1.00 0.00 C flip ATOM 519 CE1 HIS A 30 21.397 -6.968 6.222 1.00 0.00 C flip ATOM 520 NE2 HIS A 30 20.506 -6.483 5.354 1.00 0.00 N flip ATOM 0 H HIS A 30 25.211 -5.597 1.709 1.00 0.00 H new ATOM 0 HA HIS A 30 25.036 -5.750 4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 30 23.295 -5.025 2.875 1.00 0.00 H new ATOM 0 HB3 HIS A 30 23.200 -6.691 2.340 1.00 0.00 H new ATOM 0 HD1 HIS A 30 23.518 -7.185 5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 30 20.586 -5.683 3.342 1.00 0.00 H new ATOM 0 HE1 HIS A 30 21.207 -7.340 7.218 1.00 0.00 H new ATOM 528 N GLU A 31 25.117 -8.581 2.942 1.00 0.00 N ATOM 529 CA GLU A 31 25.399 -10.032 3.143 1.00 0.00 C ATOM 530 C GLU A 31 26.910 -10.245 3.342 1.00 0.00 C ATOM 531 O GLU A 31 27.371 -11.351 3.539 1.00 0.00 O ATOM 532 CB GLU A 31 24.925 -10.709 1.857 1.00 0.00 C ATOM 533 CG GLU A 31 23.849 -11.744 2.192 1.00 0.00 C ATOM 534 CD GLU A 31 23.786 -12.790 1.077 1.00 0.00 C ATOM 535 OE1 GLU A 31 24.814 -13.046 0.473 1.00 0.00 O ATOM 536 OE2 GLU A 31 22.710 -13.317 0.847 1.00 0.00 O ATOM 0 H GLU A 31 24.952 -8.299 1.976 1.00 0.00 H new ATOM 0 HA GLU A 31 24.898 -10.438 4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 31 24.527 -9.965 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 31 25.765 -11.191 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 31 24.075 -12.224 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.881 -11.256 2.303 1.00 0.00 H new ATOM 543 N LEU A 32 27.680 -9.185 3.293 1.00 0.00 N ATOM 544 CA LEU A 32 29.155 -9.295 3.476 1.00 0.00 C ATOM 545 C LEU A 32 29.506 -9.154 4.956 1.00 0.00 C ATOM 546 O LEU A 32 30.440 -9.753 5.449 1.00 0.00 O ATOM 547 CB LEU A 32 29.713 -8.095 2.700 1.00 0.00 C ATOM 548 CG LEU A 32 31.156 -8.346 2.253 1.00 0.00 C ATOM 549 CD1 LEU A 32 31.593 -7.200 1.339 1.00 0.00 C ATOM 550 CD2 LEU A 32 32.085 -8.390 3.468 1.00 0.00 C ATOM 0 H LEU A 32 27.341 -8.237 3.132 1.00 0.00 H new ATOM 0 HA LEU A 32 29.554 -10.250 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 32 29.088 -7.900 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 32 29.673 -7.204 3.326 1.00 0.00 H new ATOM 0 HG LEU A 32 31.209 -9.299 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.620 -7.366 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 32 30.938 -7.159 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 31.533 -6.257 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.108 -8.569 3.137 1.00 0.00 H new ATOM 0 HD22 LEU A 32 32.036 -7.439 3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 32 31.773 -9.194 4.135 1.00 0.00 H new ATOM 562 N ILE A 33 28.779 -8.331 5.660 1.00 0.00 N ATOM 563 CA ILE A 33 29.092 -8.108 7.100 1.00 0.00 C ATOM 564 C ILE A 33 27.904 -8.490 7.995 1.00 0.00 C ATOM 565 O ILE A 33 27.929 -8.284 9.193 1.00 0.00 O ATOM 566 CB ILE A 33 29.390 -6.607 7.190 1.00 0.00 C ATOM 567 CG1 ILE A 33 28.103 -5.816 6.917 1.00 0.00 C ATOM 568 CG2 ILE A 33 30.463 -6.241 6.151 1.00 0.00 C ATOM 569 CD1 ILE A 33 28.373 -4.316 7.020 1.00 0.00 C ATOM 0 H ILE A 33 27.983 -7.804 5.301 1.00 0.00 H new ATOM 0 HA ILE A 33 29.925 -8.721 7.443 1.00 0.00 H new ATOM 0 HB ILE A 33 29.756 -6.360 8.187 1.00 0.00 H new ATOM 0 HG12 ILE A 33 27.723 -6.057 5.924 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.332 -6.104 7.632 1.00 0.00 H new ATOM 0 HG21 ILE A 33 30.679 -5.174 6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.373 -6.807 6.352 1.00 0.00 H new ATOM 0 HG23 ILE A 33 30.099 -6.482 5.152 1.00 0.00 H new ATOM 0 HD11 ILE A 33 27.452 -3.766 6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.731 -4.079 8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 33 29.128 -4.031 6.288 1.00 0.00 H new ATOM 581 N LYS A 34 26.864 -9.042 7.429 1.00 0.00 N ATOM 582 CA LYS A 34 25.680 -9.431 8.253 1.00 0.00 C ATOM 583 C LYS A 34 26.122 -10.240 9.478 1.00 0.00 C ATOM 584 O LYS A 34 25.900 -9.847 10.606 1.00 0.00 O ATOM 585 CB LYS A 34 24.817 -10.290 7.328 1.00 0.00 C ATOM 586 CG LYS A 34 23.523 -10.675 8.048 1.00 0.00 C ATOM 587 CD LYS A 34 22.335 -10.483 7.101 1.00 0.00 C ATOM 588 CE LYS A 34 21.113 -11.211 7.664 1.00 0.00 C ATOM 589 NZ LYS A 34 19.948 -10.605 6.959 1.00 0.00 N ATOM 0 H LYS A 34 26.782 -9.241 6.432 1.00 0.00 H new ATOM 0 HA LYS A 34 25.139 -8.562 8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 34 24.588 -9.742 6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 34 25.362 -11.187 7.033 1.00 0.00 H new ATOM 0 HG2 LYS A 34 23.574 -11.712 8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 34 23.394 -10.061 8.940 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.117 -9.421 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.578 -10.870 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 34 21.172 -12.284 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.035 -11.077 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.070 -11.052 7.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 19.914 -9.585 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.046 -10.754 5.934 1.00 0.00 H new ATOM 603 N GLY A 35 26.745 -11.367 9.264 1.00 0.00 N ATOM 604 CA GLY A 35 27.199 -12.196 10.415 1.00 0.00 C ATOM 605 C GLY A 35 26.151 -13.269 10.717 1.00 0.00 C ATOM 606 O GLY A 35 25.581 -13.794 9.774 1.00 0.00 O ATOM 607 OXT GLY A 35 25.936 -13.547 11.885 1.00 0.00 O ATOM 0 H GLY A 35 26.959 -11.749 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 35 28.157 -12.663 10.185 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.353 -11.567 11.291 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 37.109 -0.837 -13.559 1.00 0.00 N ATOM 613 CA GLY B 1 36.990 -1.343 -12.163 1.00 0.00 C ATOM 614 C GLY B 1 36.678 -0.177 -11.223 1.00 0.00 C ATOM 615 O GLY B 1 37.404 0.090 -10.286 1.00 0.00 O ATOM 0 H1 GLY B 1 37.321 -1.629 -14.199 1.00 0.00 H new ATOM 0 H2 GLY B 1 36.213 -0.392 -13.844 1.00 0.00 H new ATOM 0 H3 GLY B 1 37.876 -0.136 -13.610 1.00 0.00 H new ATOM 0 HA2 GLY B 1 36.202 -2.094 -12.103 1.00 0.00 H new ATOM 0 HA3 GLY B 1 37.917 -1.830 -11.861 1.00 0.00 H new ATOM 621 N GLU B 2 35.603 0.521 -11.467 1.00 0.00 N ATOM 622 CA GLU B 2 35.244 1.671 -10.589 1.00 0.00 C ATOM 623 C GLU B 2 34.670 1.166 -9.262 1.00 0.00 C ATOM 624 O GLU B 2 35.055 1.610 -8.199 1.00 0.00 O ATOM 625 CB GLU B 2 34.187 2.450 -11.371 1.00 0.00 C ATOM 626 CG GLU B 2 34.781 3.776 -11.851 1.00 0.00 C ATOM 627 CD GLU B 2 35.874 3.501 -12.885 1.00 0.00 C ATOM 628 OE1 GLU B 2 35.546 2.981 -13.939 1.00 0.00 O ATOM 629 OE2 GLU B 2 37.019 3.814 -12.606 1.00 0.00 O ATOM 0 H GLU B 2 34.957 0.345 -12.237 1.00 0.00 H new ATOM 0 HA GLU B 2 36.107 2.290 -10.344 1.00 0.00 H new ATOM 0 HB2 GLU B 2 33.844 1.863 -12.223 1.00 0.00 H new ATOM 0 HB3 GLU B 2 33.317 2.636 -10.741 1.00 0.00 H new ATOM 0 HG2 GLU B 2 34.001 4.399 -12.288 1.00 0.00 H new ATOM 0 HG3 GLU B 2 35.195 4.328 -11.007 1.00 0.00 H new ATOM 636 N VAL B 3 33.752 0.239 -9.315 1.00 0.00 N ATOM 637 CA VAL B 3 33.156 -0.294 -8.056 1.00 0.00 C ATOM 638 C VAL B 3 34.134 -1.253 -7.369 1.00 0.00 C ATOM 639 O VAL B 3 34.012 -1.543 -6.195 1.00 0.00 O ATOM 640 CB VAL B 3 31.896 -1.039 -8.499 1.00 0.00 C ATOM 641 CG1 VAL B 3 32.278 -2.144 -9.486 1.00 0.00 C ATOM 642 CG2 VAL B 3 31.214 -1.659 -7.278 1.00 0.00 C ATOM 0 H VAL B 3 33.389 -0.172 -10.175 1.00 0.00 H new ATOM 0 HA VAL B 3 32.932 0.496 -7.339 1.00 0.00 H new ATOM 0 HB VAL B 3 31.212 -0.341 -8.982 1.00 0.00 H new ATOM 0 HG11 VAL B 3 31.381 -2.676 -9.802 1.00 0.00 H new ATOM 0 HG12 VAL B 3 32.764 -1.703 -10.356 1.00 0.00 H new ATOM 0 HG13 VAL B 3 32.962 -2.842 -9.004 1.00 0.00 H new ATOM 0 HG21 VAL B 3 30.316 -2.190 -7.593 1.00 0.00 H new ATOM 0 HG22 VAL B 3 31.898 -2.357 -6.795 1.00 0.00 H new ATOM 0 HG23 VAL B 3 30.942 -0.872 -6.575 1.00 0.00 H new ATOM 652 N GLU B 4 35.101 -1.748 -8.091 1.00 0.00 N ATOM 653 CA GLU B 4 36.084 -2.688 -7.481 1.00 0.00 C ATOM 654 C GLU B 4 36.967 -1.958 -6.465 1.00 0.00 C ATOM 655 O GLU B 4 37.595 -2.570 -5.626 1.00 0.00 O ATOM 656 CB GLU B 4 36.930 -3.188 -8.650 1.00 0.00 C ATOM 657 CG GLU B 4 36.796 -4.707 -8.766 1.00 0.00 C ATOM 658 CD GLU B 4 37.492 -5.185 -10.042 1.00 0.00 C ATOM 659 OE1 GLU B 4 36.997 -4.877 -11.114 1.00 0.00 O ATOM 660 OE2 GLU B 4 38.509 -5.849 -9.926 1.00 0.00 O ATOM 0 H GLU B 4 35.253 -1.542 -9.078 1.00 0.00 H new ATOM 0 HA GLU B 4 35.592 -3.502 -6.948 1.00 0.00 H new ATOM 0 HB2 GLU B 4 36.607 -2.712 -9.576 1.00 0.00 H new ATOM 0 HB3 GLU B 4 37.974 -2.915 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU B 4 37.239 -5.189 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU B 4 35.743 -4.989 -8.786 1.00 0.00 H new ATOM 667 N GLU B 5 37.027 -0.657 -6.537 1.00 0.00 N ATOM 668 CA GLU B 5 37.879 0.100 -5.576 1.00 0.00 C ATOM 669 C GLU B 5 37.179 0.224 -4.222 1.00 0.00 C ATOM 670 O GLU B 5 37.747 -0.076 -3.192 1.00 0.00 O ATOM 671 CB GLU B 5 38.066 1.478 -6.211 1.00 0.00 C ATOM 672 CG GLU B 5 39.518 1.636 -6.668 1.00 0.00 C ATOM 673 CD GLU B 5 39.668 2.944 -7.447 1.00 0.00 C ATOM 674 OE1 GLU B 5 39.553 3.993 -6.834 1.00 0.00 O ATOM 675 OE2 GLU B 5 39.897 2.876 -8.643 1.00 0.00 O ATOM 0 H GLU B 5 36.525 -0.086 -7.217 1.00 0.00 H new ATOM 0 HA GLU B 5 38.831 -0.398 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU B 5 37.392 1.594 -7.060 1.00 0.00 H new ATOM 0 HB3 GLU B 5 37.812 2.258 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU B 5 40.184 1.636 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU B 5 39.807 0.792 -7.294 1.00 0.00 H new ATOM 682 N LEU B 6 35.952 0.664 -4.211 1.00 0.00 N ATOM 683 CA LEU B 6 35.231 0.800 -2.915 1.00 0.00 C ATOM 684 C LEU B 6 34.965 -0.600 -2.332 1.00 0.00 C ATOM 685 O LEU B 6 34.886 -0.784 -1.132 1.00 0.00 O ATOM 686 CB LEU B 6 33.944 1.598 -3.262 1.00 0.00 C ATOM 687 CG LEU B 6 32.669 0.741 -3.175 1.00 0.00 C ATOM 688 CD1 LEU B 6 32.236 0.620 -1.716 1.00 0.00 C ATOM 689 CD2 LEU B 6 31.544 1.416 -3.966 1.00 0.00 C ATOM 0 H LEU B 6 35.420 0.934 -5.038 1.00 0.00 H new ATOM 0 HA LEU B 6 35.790 1.327 -2.142 1.00 0.00 H new ATOM 0 HB2 LEU B 6 33.853 2.446 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU B 6 34.035 2.005 -4.269 1.00 0.00 H new ATOM 0 HG LEU B 6 32.873 -0.247 -3.587 1.00 0.00 H new ATOM 0 HD11 LEU B 6 31.333 0.013 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU B 6 33.031 0.148 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.035 1.612 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU B 6 30.641 0.809 -3.904 1.00 0.00 H new ATOM 0 HD22 LEU B 6 31.347 2.403 -3.548 1.00 0.00 H new ATOM 0 HD23 LEU B 6 31.843 1.517 -5.009 1.00 0.00 H new ATOM 701 N GLU B 7 34.856 -1.587 -3.179 1.00 0.00 N ATOM 702 CA GLU B 7 34.622 -2.975 -2.685 1.00 0.00 C ATOM 703 C GLU B 7 35.883 -3.503 -2.002 1.00 0.00 C ATOM 704 O GLU B 7 35.849 -3.981 -0.883 1.00 0.00 O ATOM 705 CB GLU B 7 34.324 -3.793 -3.940 1.00 0.00 C ATOM 706 CG GLU B 7 33.751 -5.154 -3.538 1.00 0.00 C ATOM 707 CD GLU B 7 34.185 -6.213 -4.555 1.00 0.00 C ATOM 708 OE1 GLU B 7 35.199 -6.006 -5.200 1.00 0.00 O ATOM 709 OE2 GLU B 7 33.495 -7.212 -4.670 1.00 0.00 O ATOM 0 H GLU B 7 34.919 -1.493 -4.193 1.00 0.00 H new ATOM 0 HA GLU B 7 33.811 -3.026 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU B 7 33.615 -3.261 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU B 7 35.235 -3.928 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU B 7 34.099 -5.427 -2.542 1.00 0.00 H new ATOM 0 HG3 GLU B 7 32.663 -5.103 -3.492 1.00 0.00 H new ATOM 716 N LYS B 8 36.998 -3.421 -2.675 1.00 0.00 N ATOM 717 CA LYS B 8 38.267 -3.918 -2.075 1.00 0.00 C ATOM 718 C LYS B 8 38.533 -3.209 -0.751 1.00 0.00 C ATOM 719 O LYS B 8 38.813 -3.834 0.246 1.00 0.00 O ATOM 720 CB LYS B 8 39.354 -3.586 -3.098 1.00 0.00 C ATOM 721 CG LYS B 8 40.149 -4.850 -3.430 1.00 0.00 C ATOM 722 CD LYS B 8 39.976 -5.187 -4.913 1.00 0.00 C ATOM 723 CE LYS B 8 41.123 -4.566 -5.714 1.00 0.00 C ATOM 724 NZ LYS B 8 42.124 -5.661 -5.856 1.00 0.00 N ATOM 0 H LYS B 8 37.084 -3.031 -3.614 1.00 0.00 H new ATOM 0 HA LYS B 8 38.232 -4.986 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS B 8 38.904 -3.179 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS B 8 40.019 -2.819 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS B 8 41.204 -4.700 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS B 8 39.805 -5.681 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS B 8 39.964 -6.268 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS B 8 39.020 -4.809 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS B 8 40.781 -4.214 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS B 8 41.548 -3.706 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 42.943 -5.315 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 42.436 -5.971 -4.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 41.693 -6.463 -6.359 1.00 0.00 H new ATOM 738 N LYS B 9 38.432 -1.913 -0.727 1.00 0.00 N ATOM 739 CA LYS B 9 38.662 -1.180 0.549 1.00 0.00 C ATOM 740 C LYS B 9 37.650 -1.662 1.586 1.00 0.00 C ATOM 741 O LYS B 9 37.890 -1.627 2.777 1.00 0.00 O ATOM 742 CB LYS B 9 38.428 0.291 0.207 1.00 0.00 C ATOM 743 CG LYS B 9 39.754 0.941 -0.189 1.00 0.00 C ATOM 744 CD LYS B 9 40.659 1.047 1.040 1.00 0.00 C ATOM 745 CE LYS B 9 42.042 0.485 0.706 1.00 0.00 C ATOM 746 NZ LYS B 9 42.371 -0.421 1.843 1.00 0.00 N ATOM 0 H LYS B 9 38.201 -1.329 -1.531 1.00 0.00 H new ATOM 0 HA LYS B 9 39.658 -1.339 0.961 1.00 0.00 H new ATOM 0 HB2 LYS B 9 37.711 0.376 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS B 9 37.998 0.810 1.063 1.00 0.00 H new ATOM 0 HG2 LYS B 9 40.243 0.351 -0.964 1.00 0.00 H new ATOM 0 HG3 LYS B 9 39.575 1.931 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS B 9 40.744 2.087 1.354 1.00 0.00 H new ATOM 0 HD3 LYS B 9 40.223 0.497 1.874 1.00 0.00 H new ATOM 0 HE2 LYS B 9 42.031 -0.056 -0.240 1.00 0.00 H new ATOM 0 HE3 LYS B 9 42.780 1.282 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 43.307 -0.847 1.688 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 42.380 0.123 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 41.655 -1.173 1.906 1.00 0.00 H new ATOM 760 N PHE B 10 36.516 -2.115 1.130 1.00 0.00 N ATOM 761 CA PHE B 10 35.466 -2.610 2.062 1.00 0.00 C ATOM 762 C PHE B 10 35.973 -3.807 2.876 1.00 0.00 C ATOM 763 O PHE B 10 36.116 -3.735 4.082 1.00 0.00 O ATOM 764 CB PHE B 10 34.320 -3.038 1.140 1.00 0.00 C ATOM 765 CG PHE B 10 33.001 -2.937 1.864 1.00 0.00 C ATOM 766 CD1 PHE B 10 32.479 -1.670 2.206 1.00 0.00 C ATOM 767 CD2 PHE B 10 32.280 -4.110 2.184 1.00 0.00 C ATOM 768 CE1 PHE B 10 31.237 -1.575 2.871 1.00 0.00 C ATOM 769 CE2 PHE B 10 31.036 -4.015 2.845 1.00 0.00 C ATOM 770 CZ PHE B 10 30.515 -2.747 3.189 1.00 0.00 C ATOM 0 H PHE B 10 36.270 -2.164 0.141 1.00 0.00 H new ATOM 0 HA PHE B 10 35.167 -1.853 2.787 1.00 0.00 H new ATOM 0 HB2 PHE B 10 34.304 -2.407 0.251 1.00 0.00 H new ATOM 0 HB3 PHE B 10 34.479 -4.062 0.801 1.00 0.00 H new ATOM 0 HD1 PHE B 10 33.030 -0.774 1.959 1.00 0.00 H new ATOM 0 HD2 PHE B 10 32.681 -5.078 1.923 1.00 0.00 H new ATOM 0 HE1 PHE B 10 30.839 -0.607 3.136 1.00 0.00 H new ATOM 0 HE2 PHE B 10 30.483 -4.910 3.088 1.00 0.00 H new ATOM 0 HZ PHE B 10 29.564 -2.674 3.695 1.00 0.00 H new ATOM 780 N LYS B 11 36.236 -4.912 2.231 1.00 0.00 N ATOM 781 CA LYS B 11 36.710 -6.115 2.979 1.00 0.00 C ATOM 782 C LYS B 11 38.061 -5.853 3.648 1.00 0.00 C ATOM 783 O LYS B 11 38.355 -6.377 4.705 1.00 0.00 O ATOM 784 CB LYS B 11 36.836 -7.205 1.919 1.00 0.00 C ATOM 785 CG LYS B 11 37.208 -8.529 2.587 1.00 0.00 C ATOM 786 CD LYS B 11 35.932 -9.293 2.946 1.00 0.00 C ATOM 787 CE LYS B 11 36.289 -10.731 3.327 1.00 0.00 C ATOM 788 NZ LYS B 11 35.373 -11.580 2.514 1.00 0.00 N ATOM 0 H LYS B 11 36.144 -5.035 1.223 1.00 0.00 H new ATOM 0 HA LYS B 11 36.025 -6.392 3.780 1.00 0.00 H new ATOM 0 HB2 LYS B 11 35.896 -7.311 1.378 1.00 0.00 H new ATOM 0 HB3 LYS B 11 37.596 -6.929 1.188 1.00 0.00 H new ATOM 0 HG2 LYS B 11 37.826 -9.126 1.917 1.00 0.00 H new ATOM 0 HG3 LYS B 11 37.798 -8.343 3.484 1.00 0.00 H new ATOM 0 HD2 LYS B 11 35.422 -8.802 3.775 1.00 0.00 H new ATOM 0 HD3 LYS B 11 35.243 -9.290 2.101 1.00 0.00 H new ATOM 0 HE2 LYS B 11 37.333 -10.951 3.105 1.00 0.00 H new ATOM 0 HE3 LYS B 11 36.146 -10.904 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 35.556 -12.583 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 34.386 -11.352 2.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 35.536 -11.398 1.503 1.00 0.00 H new ATOM 802 N GLU B 12 38.880 -5.050 3.041 1.00 0.00 N ATOM 803 CA GLU B 12 40.214 -4.753 3.634 1.00 0.00 C ATOM 804 C GLU B 12 40.056 -3.853 4.857 1.00 0.00 C ATOM 805 O GLU B 12 40.914 -3.800 5.714 1.00 0.00 O ATOM 806 CB GLU B 12 40.986 -4.028 2.533 1.00 0.00 C ATOM 807 CG GLU B 12 41.888 -5.023 1.801 1.00 0.00 C ATOM 808 CD GLU B 12 42.465 -4.361 0.548 1.00 0.00 C ATOM 809 OE1 GLU B 12 43.170 -3.375 0.695 1.00 0.00 O ATOM 810 OE2 GLU B 12 42.193 -4.850 -0.535 1.00 0.00 O ATOM 0 H GLU B 12 38.686 -4.582 2.156 1.00 0.00 H new ATOM 0 HA GLU B 12 40.729 -5.655 3.965 1.00 0.00 H new ATOM 0 HB2 GLU B 12 40.292 -3.566 1.831 1.00 0.00 H new ATOM 0 HB3 GLU B 12 41.586 -3.226 2.963 1.00 0.00 H new ATOM 0 HG2 GLU B 12 42.695 -5.350 2.457 1.00 0.00 H new ATOM 0 HG3 GLU B 12 41.320 -5.912 1.527 1.00 0.00 H new ATOM 817 N LEU B 13 38.966 -3.144 4.947 1.00 0.00 N ATOM 818 CA LEU B 13 38.766 -2.255 6.120 1.00 0.00 C ATOM 819 C LEU B 13 38.287 -3.075 7.319 1.00 0.00 C ATOM 820 O LEU B 13 38.683 -2.837 8.442 1.00 0.00 O ATOM 821 CB LEU B 13 37.713 -1.242 5.678 1.00 0.00 C ATOM 822 CG LEU B 13 38.417 0.047 5.249 1.00 0.00 C ATOM 823 CD1 LEU B 13 37.429 0.960 4.523 1.00 0.00 C ATOM 824 CD2 LEU B 13 38.960 0.766 6.485 1.00 0.00 C ATOM 0 H LEU B 13 38.210 -3.142 4.262 1.00 0.00 H new ATOM 0 HA LEU B 13 39.684 -1.757 6.432 1.00 0.00 H new ATOM 0 HB2 LEU B 13 37.126 -1.644 4.852 1.00 0.00 H new ATOM 0 HB3 LEU B 13 37.019 -1.039 6.494 1.00 0.00 H new ATOM 0 HG LEU B 13 39.239 -0.199 4.577 1.00 0.00 H new ATOM 0 HD11 LEU B 13 37.936 1.876 4.220 1.00 0.00 H new ATOM 0 HD12 LEU B 13 37.043 0.450 3.641 1.00 0.00 H new ATOM 0 HD13 LEU B 13 36.603 1.206 5.190 1.00 0.00 H new ATOM 0 HD21 LEU B 13 39.462 1.684 6.181 1.00 0.00 H new ATOM 0 HD22 LEU B 13 38.136 1.008 7.156 1.00 0.00 H new ATOM 0 HD23 LEU B 13 39.670 0.119 7.000 1.00 0.00 H new ATOM 836 N TRP B 14 37.449 -4.052 7.091 1.00 0.00 N ATOM 837 CA TRP B 14 36.969 -4.891 8.230 1.00 0.00 C ATOM 838 C TRP B 14 38.134 -5.683 8.813 1.00 0.00 C ATOM 839 O TRP B 14 38.336 -5.728 10.010 1.00 0.00 O ATOM 840 CB TRP B 14 35.946 -5.848 7.627 1.00 0.00 C ATOM 841 CG TRP B 14 34.579 -5.431 8.043 1.00 0.00 C ATOM 842 CD1 TRP B 14 34.005 -5.668 9.250 1.00 0.00 C ATOM 843 CD2 TRP B 14 33.608 -4.700 7.267 1.00 0.00 C ATOM 844 NE1 TRP B 14 32.737 -5.125 9.254 1.00 0.00 N ATOM 845 CE2 TRP B 14 32.446 -4.516 8.057 1.00 0.00 C ATOM 846 CE3 TRP B 14 33.620 -4.179 5.955 1.00 0.00 C ATOM 847 CZ2 TRP B 14 31.333 -3.837 7.560 1.00 0.00 C ATOM 848 CZ3 TRP B 14 32.506 -3.492 5.447 1.00 0.00 C ATOM 849 CH2 TRP B 14 31.361 -3.318 6.247 1.00 0.00 C ATOM 0 H TRP B 14 37.079 -4.304 6.175 1.00 0.00 H new ATOM 0 HA TRP B 14 36.541 -4.287 9.030 1.00 0.00 H new ATOM 0 HB2 TRP B 14 36.025 -5.845 6.540 1.00 0.00 H new ATOM 0 HB3 TRP B 14 36.145 -6.867 7.958 1.00 0.00 H new ATOM 0 HD1 TRP B 14 34.466 -6.195 10.072 1.00 0.00 H new ATOM 0 HE1 TRP B 14 32.096 -5.170 10.046 1.00 0.00 H new ATOM 0 HE3 TRP B 14 34.495 -4.310 5.336 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 30.455 -3.709 8.176 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 32.528 -3.097 4.442 1.00 0.00 H new ATOM 0 HH2 TRP B 14 30.505 -2.788 5.857 1.00 0.00 H new ATOM 860 N LYS B 15 38.900 -6.311 7.969 1.00 0.00 N ATOM 861 CA LYS B 15 40.053 -7.108 8.462 1.00 0.00 C ATOM 862 C LYS B 15 41.350 -6.325 8.254 1.00 0.00 C ATOM 863 O LYS B 15 42.070 -6.530 7.297 1.00 0.00 O ATOM 864 CB LYS B 15 40.025 -8.376 7.616 1.00 0.00 C ATOM 865 CG LYS B 15 41.240 -9.243 7.954 1.00 0.00 C ATOM 866 CD LYS B 15 41.092 -9.793 9.374 1.00 0.00 C ATOM 867 CE LYS B 15 41.570 -11.246 9.410 1.00 0.00 C ATOM 868 NZ LYS B 15 42.362 -11.357 10.668 1.00 0.00 N ATOM 0 H LYS B 15 38.777 -6.306 6.956 1.00 0.00 H new ATOM 0 HA LYS B 15 39.997 -7.334 9.527 1.00 0.00 H new ATOM 0 HB2 LYS B 15 39.106 -8.931 7.804 1.00 0.00 H new ATOM 0 HB3 LYS B 15 40.032 -8.119 6.557 1.00 0.00 H new ATOM 0 HG2 LYS B 15 41.325 -10.063 7.241 1.00 0.00 H new ATOM 0 HG3 LYS B 15 42.154 -8.655 7.873 1.00 0.00 H new ATOM 0 HD2 LYS B 15 41.674 -9.190 10.071 1.00 0.00 H new ATOM 0 HD3 LYS B 15 40.051 -9.733 9.692 1.00 0.00 H new ATOM 0 HE2 LYS B 15 40.729 -11.939 9.410 1.00 0.00 H new ATOM 0 HE3 LYS B 15 42.179 -11.484 8.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 42.725 -12.327 10.765 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 43.160 -10.690 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 41.755 -11.132 11.482 1.00 0.00 H new ATOM 882 N GLY B 16 41.641 -5.419 9.147 1.00 0.00 N ATOM 883 CA GLY B 16 42.878 -4.601 9.018 1.00 0.00 C ATOM 884 C GLY B 16 42.754 -3.374 9.929 1.00 0.00 C ATOM 885 O GLY B 16 43.100 -3.431 11.093 1.00 0.00 O ATOM 0 H GLY B 16 41.070 -5.210 9.966 1.00 0.00 H new ATOM 0 HA2 GLY B 16 43.752 -5.191 9.296 1.00 0.00 H new ATOM 0 HA3 GLY B 16 43.019 -4.290 7.983 1.00 0.00 H new ATOM 889 N PRO B 17 42.252 -2.304 9.369 1.00 0.00 N ATOM 890 CA PRO B 17 42.069 -1.056 10.147 1.00 0.00 C ATOM 891 C PRO B 17 40.841 -1.188 11.056 1.00 0.00 C ATOM 892 O PRO B 17 40.403 -2.280 11.358 1.00 0.00 O ATOM 893 CB PRO B 17 41.847 0.005 9.070 1.00 0.00 C ATOM 894 CG PRO B 17 41.308 -0.740 7.889 1.00 0.00 C ATOM 895 CD PRO B 17 41.817 -2.158 7.976 1.00 0.00 C ATOM 0 HA PRO B 17 42.910 -0.817 10.798 1.00 0.00 H new ATOM 0 HB2 PRO B 17 41.146 0.768 9.408 1.00 0.00 H new ATOM 0 HB3 PRO B 17 42.778 0.515 8.822 1.00 0.00 H new ATOM 0 HG2 PRO B 17 40.218 -0.723 7.890 1.00 0.00 H new ATOM 0 HG3 PRO B 17 41.633 -0.272 6.960 1.00 0.00 H new ATOM 0 HD2 PRO B 17 41.036 -2.877 7.726 1.00 0.00 H new ATOM 0 HD3 PRO B 17 42.641 -2.328 7.283 1.00 0.00 H new ATOM 903 N ARG B 18 40.279 -0.091 11.494 1.00 0.00 N ATOM 904 CA ARG B 18 39.079 -0.168 12.379 1.00 0.00 C ATOM 905 C ARG B 18 38.028 -1.111 11.771 1.00 0.00 C ATOM 906 O ARG B 18 38.187 -1.605 10.673 1.00 0.00 O ATOM 907 CB ARG B 18 38.557 1.282 12.479 1.00 0.00 C ATOM 908 CG ARG B 18 37.689 1.652 11.262 1.00 0.00 C ATOM 909 CD ARG B 18 38.549 1.688 9.996 1.00 0.00 C ATOM 910 NE ARG B 18 39.610 2.702 10.272 1.00 0.00 N ATOM 911 CZ ARG B 18 39.283 3.949 10.488 1.00 0.00 C ATOM 912 NH1 ARG B 18 38.508 4.574 9.645 1.00 0.00 N ATOM 913 NH2 ARG B 18 39.729 4.568 11.547 1.00 0.00 N ATOM 0 H ARG B 18 40.599 0.853 11.277 1.00 0.00 H new ATOM 0 HA ARG B 18 39.312 -0.571 13.365 1.00 0.00 H new ATOM 0 HB2 ARG B 18 37.974 1.398 13.393 1.00 0.00 H new ATOM 0 HB3 ARG B 18 39.400 1.970 12.549 1.00 0.00 H new ATOM 0 HG2 ARG B 18 36.885 0.926 11.144 1.00 0.00 H new ATOM 0 HG3 ARG B 18 37.221 2.623 11.421 1.00 0.00 H new ATOM 0 HD2 ARG B 18 38.983 0.710 9.787 1.00 0.00 H new ATOM 0 HD3 ARG B 18 37.956 1.966 9.125 1.00 0.00 H new ATOM 0 HE ARG B 18 40.590 2.421 10.292 1.00 0.00 H new ATOM 0 HH11 ARG B 18 38.158 4.090 8.818 1.00 0.00 H new ATOM 0 HH12 ARG B 18 38.252 5.547 9.812 1.00 0.00 H new ATOM 0 HH21 ARG B 18 40.333 4.079 12.207 1.00 0.00 H new ATOM 0 HH22 ARG B 18 39.473 5.541 11.715 1.00 0.00 H new ATOM 927 N ARG B 19 36.957 -1.359 12.472 1.00 0.00 N ATOM 928 CA ARG B 19 35.911 -2.264 11.919 1.00 0.00 C ATOM 929 C ARG B 19 34.512 -1.735 12.247 1.00 0.00 C ATOM 930 O ARG B 19 33.612 -1.790 11.433 1.00 0.00 O ATOM 931 CB ARG B 19 36.150 -3.609 12.606 1.00 0.00 C ATOM 932 CG ARG B 19 35.246 -4.670 11.976 1.00 0.00 C ATOM 933 CD ARG B 19 35.301 -5.949 12.815 1.00 0.00 C ATOM 934 NE ARG B 19 33.896 -6.180 13.254 1.00 0.00 N ATOM 935 CZ ARG B 19 33.633 -7.102 14.140 1.00 0.00 C ATOM 936 NH1 ARG B 19 34.393 -8.159 14.229 1.00 0.00 N ATOM 937 NH2 ARG B 19 32.609 -6.967 14.938 1.00 0.00 N ATOM 0 H ARG B 19 36.761 -0.977 13.397 1.00 0.00 H new ATOM 0 HA ARG B 19 35.969 -2.341 10.833 1.00 0.00 H new ATOM 0 HB2 ARG B 19 37.196 -3.900 12.506 1.00 0.00 H new ATOM 0 HB3 ARG B 19 35.943 -3.526 13.673 1.00 0.00 H new ATOM 0 HG2 ARG B 19 34.221 -4.303 11.919 1.00 0.00 H new ATOM 0 HG3 ARG B 19 35.567 -4.878 10.955 1.00 0.00 H new ATOM 0 HD2 ARG B 19 35.675 -6.789 12.230 1.00 0.00 H new ATOM 0 HD3 ARG B 19 35.968 -5.833 13.669 1.00 0.00 H new ATOM 0 HE ARG B 19 33.140 -5.618 12.862 1.00 0.00 H new ATOM 0 HH11 ARG B 19 35.194 -8.265 13.606 1.00 0.00 H new ATOM 0 HH12 ARG B 19 34.187 -8.879 14.922 1.00 0.00 H new ATOM 0 HH21 ARG B 19 32.014 -6.141 14.869 1.00 0.00 H new ATOM 0 HH22 ARG B 19 32.403 -7.687 15.630 1.00 0.00 H new ATOM 951 N GLY B 20 34.319 -1.227 13.433 1.00 0.00 N ATOM 952 CA GLY B 20 32.976 -0.703 13.810 1.00 0.00 C ATOM 953 C GLY B 20 32.616 0.490 12.920 1.00 0.00 C ATOM 954 O GLY B 20 31.476 0.667 12.537 1.00 0.00 O ATOM 0 H GLY B 20 35.033 -1.152 14.157 1.00 0.00 H new ATOM 0 HA2 GLY B 20 32.227 -1.487 13.703 1.00 0.00 H new ATOM 0 HA3 GLY B 20 32.974 -0.401 14.857 1.00 0.00 H new ATOM 958 N GLU B 21 33.574 1.312 12.591 1.00 0.00 N ATOM 959 CA GLU B 21 33.279 2.496 11.730 1.00 0.00 C ATOM 960 C GLU B 21 32.973 2.054 10.295 1.00 0.00 C ATOM 961 O GLU B 21 32.235 2.705 9.582 1.00 0.00 O ATOM 962 CB GLU B 21 34.549 3.344 11.773 1.00 0.00 C ATOM 963 CG GLU B 21 34.245 4.683 12.450 1.00 0.00 C ATOM 964 CD GLU B 21 35.297 5.715 12.039 1.00 0.00 C ATOM 965 OE1 GLU B 21 35.445 5.938 10.849 1.00 0.00 O ATOM 966 OE2 GLU B 21 35.936 6.263 12.921 1.00 0.00 O ATOM 0 H GLU B 21 34.548 1.217 12.880 1.00 0.00 H new ATOM 0 HA GLU B 21 32.407 3.049 12.079 1.00 0.00 H new ATOM 0 HB2 GLU B 21 35.332 2.818 12.319 1.00 0.00 H new ATOM 0 HB3 GLU B 21 34.922 3.511 10.763 1.00 0.00 H new ATOM 0 HG2 GLU B 21 33.251 5.029 12.166 1.00 0.00 H new ATOM 0 HG3 GLU B 21 34.243 4.562 13.533 1.00 0.00 H new ATOM 973 N ILE B 22 33.532 0.956 9.865 1.00 0.00 N ATOM 974 CA ILE B 22 33.268 0.481 8.474 1.00 0.00 C ATOM 975 C ILE B 22 31.848 -0.079 8.372 1.00 0.00 C ATOM 976 O ILE B 22 31.074 0.309 7.517 1.00 0.00 O ATOM 977 CB ILE B 22 34.299 -0.617 8.227 1.00 0.00 C ATOM 978 CG1 ILE B 22 35.705 -0.051 8.435 1.00 0.00 C ATOM 979 CG2 ILE B 22 34.152 -1.133 6.795 1.00 0.00 C ATOM 980 CD1 ILE B 22 35.971 1.061 7.416 1.00 0.00 C ATOM 0 H ILE B 22 34.159 0.368 10.414 1.00 0.00 H new ATOM 0 HA ILE B 22 33.347 1.283 7.740 1.00 0.00 H new ATOM 0 HB ILE B 22 34.138 -1.439 8.925 1.00 0.00 H new ATOM 0 HG12 ILE B 22 35.804 0.340 9.448 1.00 0.00 H new ATOM 0 HG13 ILE B 22 36.446 -0.843 8.325 1.00 0.00 H new ATOM 0 HG21 ILE B 22 34.887 -1.918 6.614 1.00 0.00 H new ATOM 0 HG22 ILE B 22 33.149 -1.536 6.654 1.00 0.00 H new ATOM 0 HG23 ILE B 22 34.316 -0.314 6.095 1.00 0.00 H new ATOM 0 HD11 ILE B 22 36.973 1.461 7.568 1.00 0.00 H new ATOM 0 HD12 ILE B 22 35.891 0.657 6.407 1.00 0.00 H new ATOM 0 HD13 ILE B 22 35.239 1.858 7.547 1.00 0.00 H new ATOM 992 N GLU B 23 31.491 -0.981 9.240 1.00 0.00 N ATOM 993 CA GLU B 23 30.120 -1.539 9.192 1.00 0.00 C ATOM 994 C GLU B 23 29.123 -0.408 9.434 1.00 0.00 C ATOM 995 O GLU B 23 28.005 -0.434 8.953 1.00 0.00 O ATOM 996 CB GLU B 23 30.101 -2.601 10.295 1.00 0.00 C ATOM 997 CG GLU B 23 28.746 -3.295 10.328 1.00 0.00 C ATOM 998 CD GLU B 23 28.055 -3.010 11.663 1.00 0.00 C ATOM 999 OE1 GLU B 23 28.671 -3.249 12.689 1.00 0.00 O ATOM 1000 OE2 GLU B 23 26.922 -2.558 11.636 1.00 0.00 O ATOM 0 H GLU B 23 32.089 -1.353 9.977 1.00 0.00 H new ATOM 0 HA GLU B 23 29.847 -1.984 8.235 1.00 0.00 H new ATOM 0 HB2 GLU B 23 30.889 -3.333 10.120 1.00 0.00 H new ATOM 0 HB3 GLU B 23 30.305 -2.138 11.260 1.00 0.00 H new ATOM 0 HG2 GLU B 23 28.126 -2.943 9.504 1.00 0.00 H new ATOM 0 HG3 GLU B 23 28.873 -4.369 10.195 1.00 0.00 H new ATOM 1007 N GLU B 24 29.538 0.618 10.126 1.00 0.00 N ATOM 1008 CA GLU B 24 28.629 1.774 10.334 1.00 0.00 C ATOM 1009 C GLU B 24 28.456 2.468 8.985 1.00 0.00 C ATOM 1010 O GLU B 24 27.398 2.961 8.648 1.00 0.00 O ATOM 1011 CB GLU B 24 29.347 2.685 11.331 1.00 0.00 C ATOM 1012 CG GLU B 24 28.403 3.810 11.762 1.00 0.00 C ATOM 1013 CD GLU B 24 28.935 4.461 13.041 1.00 0.00 C ATOM 1014 OE1 GLU B 24 28.917 3.803 14.068 1.00 0.00 O ATOM 1015 OE2 GLU B 24 29.350 5.606 12.971 1.00 0.00 O ATOM 0 H GLU B 24 30.461 0.703 10.552 1.00 0.00 H new ATOM 0 HA GLU B 24 27.645 1.498 10.712 1.00 0.00 H new ATOM 0 HB2 GLU B 24 29.667 2.111 12.200 1.00 0.00 H new ATOM 0 HB3 GLU B 24 30.245 3.103 10.877 1.00 0.00 H new ATOM 0 HG2 GLU B 24 28.321 4.554 10.970 1.00 0.00 H new ATOM 0 HG3 GLU B 24 27.402 3.414 11.932 1.00 0.00 H new ATOM 1022 N LEU B 25 29.502 2.477 8.203 1.00 0.00 N ATOM 1023 CA LEU B 25 29.433 3.099 6.851 1.00 0.00 C ATOM 1024 C LEU B 25 28.433 2.329 5.994 1.00 0.00 C ATOM 1025 O LEU B 25 27.816 2.875 5.106 1.00 0.00 O ATOM 1026 CB LEU B 25 30.838 2.959 6.263 1.00 0.00 C ATOM 1027 CG LEU B 25 30.919 3.744 4.952 1.00 0.00 C ATOM 1028 CD1 LEU B 25 30.971 5.244 5.250 1.00 0.00 C ATOM 1029 CD2 LEU B 25 32.178 3.331 4.187 1.00 0.00 C ATOM 0 H LEU B 25 30.408 2.077 8.446 1.00 0.00 H new ATOM 0 HA LEU B 25 29.115 4.141 6.891 1.00 0.00 H new ATOM 0 HB2 LEU B 25 31.579 3.332 6.970 1.00 0.00 H new ATOM 0 HB3 LEU B 25 31.067 1.908 6.086 1.00 0.00 H new ATOM 0 HG LEU B 25 30.038 3.528 4.348 1.00 0.00 H new ATOM 0 HD11 LEU B 25 31.029 5.799 4.314 1.00 0.00 H new ATOM 0 HD12 LEU B 25 30.072 5.539 5.792 1.00 0.00 H new ATOM 0 HD13 LEU B 25 31.849 5.464 5.857 1.00 0.00 H new ATOM 0 HD21 LEU B 25 32.236 3.890 3.253 1.00 0.00 H new ATOM 0 HD22 LEU B 25 33.058 3.545 4.793 1.00 0.00 H new ATOM 0 HD23 LEU B 25 32.138 2.264 3.969 1.00 0.00 H new ATOM 1041 N HIS B 26 28.274 1.058 6.256 1.00 0.00 N ATOM 1042 CA HIS B 26 27.307 0.249 5.459 1.00 0.00 C ATOM 1043 C HIS B 26 25.873 0.617 5.855 1.00 0.00 C ATOM 1044 O HIS B 26 24.992 0.703 5.024 1.00 0.00 O ATOM 1045 CB HIS B 26 27.614 -1.208 5.802 1.00 0.00 C ATOM 1046 CG HIS B 26 26.594 -2.093 5.142 1.00 0.00 C ATOM 1047 ND1 HIS B 26 26.545 -2.279 3.769 1.00 0.00 N ATOM 1048 CD2 HIS B 26 25.563 -2.829 5.656 1.00 0.00 C ATOM 1049 CE1 HIS B 26 25.510 -3.101 3.509 1.00 0.00 C ATOM 1050 NE2 HIS B 26 24.877 -3.464 4.627 1.00 0.00 N ATOM 0 H HIS B 26 28.771 0.547 6.986 1.00 0.00 H new ATOM 0 HA HIS B 26 27.398 0.429 4.388 1.00 0.00 H new ATOM 0 HB2 HIS B 26 28.616 -1.471 5.463 1.00 0.00 H new ATOM 0 HB3 HIS B 26 27.595 -1.352 6.882 1.00 0.00 H new ATOM 0 HD1 HIS B 26 27.177 -1.869 3.082 1.00 0.00 H new ATOM 0 HD2 HIS B 26 25.318 -2.906 6.705 1.00 0.00 H new ATOM 0 HE1 HIS B 26 25.227 -3.426 2.519 1.00 0.00 H new ATOM 1058 N LYS B 27 25.629 0.847 7.116 1.00 0.00 N ATOM 1059 CA LYS B 27 24.249 1.226 7.534 1.00 0.00 C ATOM 1060 C LYS B 27 23.862 2.536 6.843 1.00 0.00 C ATOM 1061 O LYS B 27 22.807 2.655 6.246 1.00 0.00 O ATOM 1062 CB LYS B 27 24.325 1.410 9.049 1.00 0.00 C ATOM 1063 CG LYS B 27 24.758 0.094 9.698 1.00 0.00 C ATOM 1064 CD LYS B 27 23.807 -0.246 10.847 1.00 0.00 C ATOM 1065 CE LYS B 27 24.510 0.008 12.182 1.00 0.00 C ATOM 1066 NZ LYS B 27 23.444 0.537 13.079 1.00 0.00 N ATOM 0 H LYS B 27 26.316 0.790 7.868 1.00 0.00 H new ATOM 0 HA LYS B 27 23.502 0.479 7.265 1.00 0.00 H new ATOM 0 HB2 LYS B 27 25.034 2.201 9.296 1.00 0.00 H new ATOM 0 HB3 LYS B 27 23.355 1.719 9.438 1.00 0.00 H new ATOM 0 HG2 LYS B 27 24.753 -0.707 8.959 1.00 0.00 H new ATOM 0 HG3 LYS B 27 25.779 0.178 10.070 1.00 0.00 H new ATOM 0 HD2 LYS B 27 22.904 0.361 10.778 1.00 0.00 H new ATOM 0 HD3 LYS B 27 23.496 -1.289 10.780 1.00 0.00 H new ATOM 0 HE2 LYS B 27 24.944 -0.909 12.581 1.00 0.00 H new ATOM 0 HE3 LYS B 27 25.324 0.724 12.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 23.847 0.737 14.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 23.054 1.413 12.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 22.686 -0.169 13.171 1.00 0.00 H new ATOM 1080 N LYS B 28 24.723 3.515 6.902 1.00 0.00 N ATOM 1081 CA LYS B 28 24.419 4.807 6.232 1.00 0.00 C ATOM 1082 C LYS B 28 24.287 4.572 4.728 1.00 0.00 C ATOM 1083 O LYS B 28 23.441 5.145 4.075 1.00 0.00 O ATOM 1084 CB LYS B 28 25.615 5.710 6.537 1.00 0.00 C ATOM 1085 CG LYS B 28 25.245 6.682 7.659 1.00 0.00 C ATOM 1086 CD LYS B 28 25.323 5.960 9.005 1.00 0.00 C ATOM 1087 CE LYS B 28 23.943 5.407 9.368 1.00 0.00 C ATOM 1088 NZ LYS B 28 24.047 5.036 10.807 1.00 0.00 N ATOM 0 H LYS B 28 25.621 3.475 7.384 1.00 0.00 H new ATOM 0 HA LYS B 28 23.487 5.255 6.578 1.00 0.00 H new ATOM 0 HB2 LYS B 28 26.474 5.107 6.832 1.00 0.00 H new ATOM 0 HB3 LYS B 28 25.905 6.262 5.643 1.00 0.00 H new ATOM 0 HG2 LYS B 28 25.922 7.536 7.653 1.00 0.00 H new ATOM 0 HG3 LYS B 28 24.239 7.071 7.501 1.00 0.00 H new ATOM 0 HD2 LYS B 28 26.049 5.149 8.953 1.00 0.00 H new ATOM 0 HD3 LYS B 28 25.666 6.647 9.779 1.00 0.00 H new ATOM 0 HE2 LYS B 28 23.164 6.152 9.207 1.00 0.00 H new ATOM 0 HE3 LYS B 28 23.689 4.543 8.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 23.139 4.648 11.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 24.792 4.321 10.928 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 24.283 5.880 11.367 1.00 0.00 H new ATOM 1102 N PHE B 29 25.108 3.711 4.181 1.00 0.00 N ATOM 1103 CA PHE B 29 25.030 3.409 2.721 1.00 0.00 C ATOM 1104 C PHE B 29 23.602 2.996 2.372 1.00 0.00 C ATOM 1105 O PHE B 29 23.078 3.339 1.332 1.00 0.00 O ATOM 1106 CB PHE B 29 25.999 2.242 2.501 1.00 0.00 C ATOM 1107 CG PHE B 29 27.414 2.740 2.259 1.00 0.00 C ATOM 1108 CD1 PHE B 29 27.788 4.071 2.578 1.00 0.00 C ATOM 1109 CD2 PHE B 29 28.370 1.856 1.711 1.00 0.00 C ATOM 1110 CE1 PHE B 29 29.111 4.508 2.346 1.00 0.00 C ATOM 1111 CE2 PHE B 29 29.691 2.294 1.481 1.00 0.00 C ATOM 1112 CZ PHE B 29 30.062 3.618 1.797 1.00 0.00 C ATOM 0 H PHE B 29 25.833 3.202 4.687 1.00 0.00 H new ATOM 0 HA PHE B 29 25.288 4.264 2.096 1.00 0.00 H new ATOM 0 HB2 PHE B 29 25.986 1.586 3.371 1.00 0.00 H new ATOM 0 HB3 PHE B 29 25.669 1.648 1.649 1.00 0.00 H new ATOM 0 HD1 PHE B 29 27.061 4.750 2.998 1.00 0.00 H new ATOM 0 HD2 PHE B 29 28.089 0.842 1.467 1.00 0.00 H new ATOM 0 HE1 PHE B 29 29.396 5.521 2.588 1.00 0.00 H new ATOM 0 HE2 PHE B 29 30.419 1.615 1.063 1.00 0.00 H new ATOM 0 HZ PHE B 29 31.074 3.952 1.619 1.00 0.00 H new ATOM 1122 N HIS B 30 22.964 2.274 3.253 1.00 0.00 N ATOM 1123 CA HIS B 30 21.561 1.856 2.994 1.00 0.00 C ATOM 1124 C HIS B 30 20.683 3.104 2.954 1.00 0.00 C ATOM 1125 O HIS B 30 19.893 3.294 2.052 1.00 0.00 O ATOM 1126 CB HIS B 30 21.193 0.956 4.174 1.00 0.00 C ATOM 1127 CG HIS B 30 19.814 0.390 3.967 1.00 0.00 C ATOM 1128 ND1 HIS B 30 18.854 0.634 3.015 1.00 0.00 N flip ATOM 1129 CD2 HIS B 30 19.275 -0.567 4.812 1.00 0.00 C flip ATOM 1130 CE1 HIS B 30 17.737 -0.157 3.264 1.00 0.00 C flip ATOM 1131 NE2 HIS B 30 18.043 -0.861 4.357 1.00 0.00 N flip ATOM 0 H HIS B 30 23.355 1.957 4.140 1.00 0.00 H new ATOM 0 HA HIS B 30 21.429 1.331 2.048 1.00 0.00 H new ATOM 0 HB2 HIS B 30 21.918 0.148 4.268 1.00 0.00 H new ATOM 0 HB3 HIS B 30 21.228 1.525 5.103 1.00 0.00 H new ATOM 0 HD1 HIS B 30 18.946 1.294 2.243 1.00 0.00 H new ATOM 0 HD2 HIS B 30 19.756 -0.998 5.678 1.00 0.00 H new ATOM 0 HE1 HIS B 30 16.819 -0.194 2.696 1.00 0.00 H new ATOM 1139 N GLU B 31 20.846 3.978 3.911 1.00 0.00 N ATOM 1140 CA GLU B 31 20.049 5.238 3.909 1.00 0.00 C ATOM 1141 C GLU B 31 20.650 6.231 2.898 1.00 0.00 C ATOM 1142 O GLU B 31 20.156 7.326 2.719 1.00 0.00 O ATOM 1143 CB GLU B 31 20.166 5.784 5.332 1.00 0.00 C ATOM 1144 CG GLU B 31 18.772 5.906 5.950 1.00 0.00 C ATOM 1145 CD GLU B 31 18.805 6.940 7.077 1.00 0.00 C ATOM 1146 OE1 GLU B 31 19.590 7.868 6.980 1.00 0.00 O ATOM 1147 OE2 GLU B 31 18.045 6.785 8.019 1.00 0.00 O ATOM 0 H GLU B 31 21.494 3.874 4.691 1.00 0.00 H new ATOM 0 HA GLU B 31 19.010 5.075 3.623 1.00 0.00 H new ATOM 0 HB2 GLU B 31 20.786 5.122 5.937 1.00 0.00 H new ATOM 0 HB3 GLU B 31 20.656 6.758 5.320 1.00 0.00 H new ATOM 0 HG2 GLU B 31 18.050 6.203 5.190 1.00 0.00 H new ATOM 0 HG3 GLU B 31 18.448 4.940 6.337 1.00 0.00 H new ATOM 1154 N LEU B 32 21.717 5.848 2.237 1.00 0.00 N ATOM 1155 CA LEU B 32 22.365 6.745 1.237 1.00 0.00 C ATOM 1156 C LEU B 32 21.753 6.508 -0.142 1.00 0.00 C ATOM 1157 O LEU B 32 21.632 7.408 -0.949 1.00 0.00 O ATOM 1158 CB LEU B 32 23.832 6.293 1.232 1.00 0.00 C ATOM 1159 CG LEU B 32 24.757 7.420 0.762 1.00 0.00 C ATOM 1160 CD1 LEU B 32 26.208 6.971 0.945 1.00 0.00 C ATOM 1161 CD2 LEU B 32 24.517 7.718 -0.718 1.00 0.00 C ATOM 0 H LEU B 32 22.169 4.941 2.352 1.00 0.00 H new ATOM 0 HA LEU B 32 22.244 7.802 1.474 1.00 0.00 H new ATOM 0 HB2 LEU B 32 24.121 5.976 2.234 1.00 0.00 H new ATOM 0 HB3 LEU B 32 23.947 5.428 0.578 1.00 0.00 H new ATOM 0 HG LEU B 32 24.555 8.318 1.345 1.00 0.00 H new ATOM 0 HD11 LEU B 32 26.879 7.764 0.614 1.00 0.00 H new ATOM 0 HD12 LEU B 32 26.392 6.755 1.997 1.00 0.00 H new ATOM 0 HD13 LEU B 32 26.388 6.073 0.354 1.00 0.00 H new ATOM 0 HD21 LEU B 32 25.180 8.521 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU B 32 24.718 6.823 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU B 32 23.481 8.023 -0.864 1.00 0.00 H new ATOM 1173 N ILE B 33 21.399 5.286 -0.430 1.00 0.00 N ATOM 1174 CA ILE B 33 20.837 4.971 -1.775 1.00 0.00 C ATOM 1175 C ILE B 33 19.420 4.390 -1.664 1.00 0.00 C ATOM 1176 O ILE B 33 18.835 3.973 -2.644 1.00 0.00 O ATOM 1177 CB ILE B 33 21.811 3.940 -2.355 1.00 0.00 C ATOM 1178 CG1 ILE B 33 21.712 2.636 -1.551 1.00 0.00 C ATOM 1179 CG2 ILE B 33 23.242 4.498 -2.280 1.00 0.00 C ATOM 1180 CD1 ILE B 33 22.665 1.587 -2.123 1.00 0.00 C ATOM 0 H ILE B 33 21.474 4.492 0.206 1.00 0.00 H new ATOM 0 HA ILE B 33 20.742 5.857 -2.403 1.00 0.00 H new ATOM 0 HB ILE B 33 21.559 3.736 -3.396 1.00 0.00 H new ATOM 0 HG12 ILE B 33 21.955 2.826 -0.505 1.00 0.00 H new ATOM 0 HG13 ILE B 33 20.689 2.261 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE B 33 23.939 3.768 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE B 33 23.303 5.422 -2.855 1.00 0.00 H new ATOM 0 HG23 ILE B 33 23.500 4.700 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE B 33 22.584 0.668 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE B 33 22.403 1.385 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE B 33 23.688 1.959 -2.073 1.00 0.00 H new ATOM 1192 N LYS B 34 18.863 4.354 -0.482 1.00 0.00 N ATOM 1193 CA LYS B 34 17.487 3.795 -0.320 1.00 0.00 C ATOM 1194 C LYS B 34 16.532 4.413 -1.347 1.00 0.00 C ATOM 1195 O LYS B 34 15.958 3.725 -2.167 1.00 0.00 O ATOM 1196 CB LYS B 34 17.066 4.177 1.099 1.00 0.00 C ATOM 1197 CG LYS B 34 15.694 3.571 1.404 1.00 0.00 C ATOM 1198 CD LYS B 34 15.711 2.950 2.802 1.00 0.00 C ATOM 1199 CE LYS B 34 14.276 2.698 3.267 1.00 0.00 C ATOM 1200 NZ LYS B 34 14.402 1.708 4.374 1.00 0.00 N ATOM 0 H LYS B 34 19.300 4.687 0.377 1.00 0.00 H new ATOM 0 HA LYS B 34 17.463 2.717 -0.477 1.00 0.00 H new ATOM 0 HB2 LYS B 34 17.802 3.817 1.818 1.00 0.00 H new ATOM 0 HB3 LYS B 34 17.027 5.262 1.199 1.00 0.00 H new ATOM 0 HG2 LYS B 34 14.924 4.340 1.345 1.00 0.00 H new ATOM 0 HG3 LYS B 34 15.446 2.813 0.661 1.00 0.00 H new ATOM 0 HD2 LYS B 34 16.270 2.014 2.789 1.00 0.00 H new ATOM 0 HD3 LYS B 34 16.219 3.615 3.500 1.00 0.00 H new ATOM 0 HE2 LYS B 34 13.805 3.618 3.611 1.00 0.00 H new ATOM 0 HE3 LYS B 34 13.660 2.308 2.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 13.458 1.483 4.747 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 14.848 0.840 4.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 14.988 2.109 5.134 1.00 0.00 H new ATOM 1214 N GLY B 35 16.357 5.705 -1.308 1.00 0.00 N ATOM 1215 CA GLY B 35 15.440 6.363 -2.281 1.00 0.00 C ATOM 1216 C GLY B 35 14.059 6.533 -1.646 1.00 0.00 C ATOM 1217 O GLY B 35 14.005 6.824 -0.462 1.00 0.00 O ATOM 1218 OXT GLY B 35 13.079 6.370 -2.354 1.00 0.00 O ATOM 0 H GLY B 35 16.809 6.334 -0.644 1.00 0.00 H new ATOM 0 HA2 GLY B 35 15.839 7.334 -2.574 1.00 0.00 H new ATOM 0 HA3 GLY B 35 15.364 5.763 -3.188 1.00 0.00 H new TER 1222 GLY B 35