USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 546 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 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+ 160:sc= 0 (180deg=-0.0195) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -8.77! C(o=-8.8!,f=-8.7!) USER MOD Single : A 27 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.0296) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS :FLIP no HD1:sc= -0.266 F(o=-1.1,f=-0.27) 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+ 162:sc= 0 (180deg=-0.0181) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HE2:sc= -8.6! C(o=-8.6!,f=-8.8!) USER MOD Single : B 27 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0303) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 HIS :FLIP no HD1:sc= -0.326 F(o=-1.2,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 41 N GLU A 4 37.226 0.364 7.643 1.00 0.00 N ATOM 42 CA GLU A 4 36.712 1.566 8.359 1.00 0.00 C ATOM 43 C GLU A 4 36.912 2.817 7.501 1.00 0.00 C ATOM 44 O GLU A 4 36.248 3.818 7.683 1.00 0.00 O ATOM 45 CB GLU A 4 37.549 1.655 9.635 1.00 0.00 C ATOM 46 CG GLU A 4 36.630 1.562 10.855 1.00 0.00 C ATOM 47 CD GLU A 4 37.441 1.829 12.125 1.00 0.00 C ATOM 48 OE1 GLU A 4 38.331 1.045 12.411 1.00 0.00 O ATOM 49 OE2 GLU A 4 37.157 2.811 12.790 1.00 0.00 O ATOM 0 HA GLU A 4 35.646 1.494 8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 4 38.284 0.850 9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 4 38.103 2.593 9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 4 35.819 2.286 10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 4 36.172 0.574 10.904 1.00 0.00 H new ATOM 56 N GLU A 5 37.822 2.768 6.567 1.00 0.00 N ATOM 57 CA GLU A 5 38.061 3.956 5.699 1.00 0.00 C ATOM 58 C GLU A 5 36.910 4.116 4.704 1.00 0.00 C ATOM 59 O GLU A 5 36.312 5.169 4.594 1.00 0.00 O ATOM 60 CB GLU A 5 39.367 3.654 4.964 1.00 0.00 C ATOM 61 CG GLU A 5 40.454 4.620 5.439 1.00 0.00 C ATOM 62 CD GLU A 5 41.488 4.809 4.328 1.00 0.00 C ATOM 63 OE1 GLU A 5 41.848 3.823 3.707 1.00 0.00 O ATOM 64 OE2 GLU A 5 41.904 5.937 4.118 1.00 0.00 O ATOM 0 H GLU A 5 38.409 1.958 6.368 1.00 0.00 H new ATOM 0 HA GLU A 5 38.122 4.882 6.270 1.00 0.00 H new ATOM 0 HB2 GLU A 5 39.673 2.625 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 5 39.223 3.753 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 5 40.011 5.580 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 5 40.935 4.230 6.336 1.00 0.00 H new ATOM 71 N LEU A 6 36.592 3.077 3.982 1.00 0.00 N ATOM 72 CA LEU A 6 35.477 3.170 2.999 1.00 0.00 C ATOM 73 C LEU A 6 34.151 3.388 3.750 1.00 0.00 C ATOM 74 O LEU A 6 33.204 3.934 3.217 1.00 0.00 O ATOM 75 CB LEU A 6 35.541 1.837 2.209 1.00 0.00 C ATOM 76 CG LEU A 6 34.400 0.875 2.578 1.00 0.00 C ATOM 77 CD1 LEU A 6 33.111 1.325 1.891 1.00 0.00 C ATOM 78 CD2 LEU A 6 34.754 -0.538 2.105 1.00 0.00 C ATOM 0 H LEU A 6 37.055 2.170 4.030 1.00 0.00 H new ATOM 0 HA LEU A 6 35.554 4.012 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 6 35.500 2.050 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 6 36.497 1.351 2.401 1.00 0.00 H new ATOM 0 HG LEU A 6 34.259 0.878 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 6 32.302 0.643 2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 6 32.856 2.333 2.219 1.00 0.00 H new ATOM 0 HD13 LEU A 6 33.254 1.321 0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 6 33.946 -1.222 2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 6 34.893 -0.536 1.024 1.00 0.00 H new ATOM 0 HD23 LEU A 6 35.675 -0.863 2.588 1.00 0.00 H new ATOM 90 N GLU A 7 34.091 2.983 4.991 1.00 0.00 N ATOM 91 CA GLU A 7 32.844 3.184 5.785 1.00 0.00 C ATOM 92 C GLU A 7 32.669 4.670 6.101 1.00 0.00 C ATOM 93 O GLU A 7 31.617 5.245 5.893 1.00 0.00 O ATOM 94 CB GLU A 7 33.064 2.389 7.072 1.00 0.00 C ATOM 95 CG GLU A 7 31.714 2.078 7.720 1.00 0.00 C ATOM 96 CD GLU A 7 31.694 2.632 9.146 1.00 0.00 C ATOM 97 OE1 GLU A 7 32.527 2.215 9.934 1.00 0.00 O ATOM 98 OE2 GLU A 7 30.845 3.462 9.426 1.00 0.00 O ATOM 0 H GLU A 7 34.852 2.522 5.489 1.00 0.00 H new ATOM 0 HA GLU A 7 31.951 2.857 5.252 1.00 0.00 H new ATOM 0 HB2 GLU A 7 33.596 1.463 6.853 1.00 0.00 H new ATOM 0 HB3 GLU A 7 33.687 2.959 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.907 2.520 7.135 1.00 0.00 H new ATOM 0 HG3 GLU A 7 31.545 1.001 7.734 1.00 0.00 H new ATOM 105 N LYS A 8 33.699 5.295 6.601 1.00 0.00 N ATOM 106 CA LYS A 8 33.601 6.745 6.927 1.00 0.00 C ATOM 107 C LYS A 8 33.253 7.532 5.669 1.00 0.00 C ATOM 108 O LYS A 8 32.377 8.366 5.677 1.00 0.00 O ATOM 109 CB LYS A 8 34.983 7.136 7.452 1.00 0.00 C ATOM 110 CG LYS A 8 34.882 7.508 8.932 1.00 0.00 C ATOM 111 CD LYS A 8 35.302 6.311 9.789 1.00 0.00 C ATOM 112 CE LYS A 8 35.621 6.786 11.208 1.00 0.00 C ATOM 113 NZ LYS A 8 35.000 5.767 12.100 1.00 0.00 N ATOM 0 H LYS A 8 34.603 4.865 6.798 1.00 0.00 H new ATOM 0 HA LYS A 8 32.824 6.956 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 8 35.680 6.309 7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 8 35.376 7.977 6.881 1.00 0.00 H new ATOM 0 HG2 LYS A 8 35.521 8.365 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 8 33.861 7.803 9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 8 34.503 5.570 9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 8 36.175 5.826 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 8 36.697 6.851 11.371 1.00 0.00 H new ATOM 0 HE3 LYS A 8 35.210 7.778 11.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 35.175 6.022 13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 33.975 5.732 11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 35.416 4.834 11.904 1.00 0.00 H new ATOM 127 N LYS A 9 33.915 7.258 4.583 1.00 0.00 N ATOM 128 CA LYS A 9 33.589 7.979 3.322 1.00 0.00 C ATOM 129 C LYS A 9 32.149 7.649 2.925 1.00 0.00 C ATOM 130 O LYS A 9 31.486 8.403 2.241 1.00 0.00 O ATOM 131 CB LYS A 9 34.577 7.437 2.290 1.00 0.00 C ATOM 132 CG LYS A 9 35.950 8.077 2.511 1.00 0.00 C ATOM 133 CD LYS A 9 36.096 9.300 1.603 1.00 0.00 C ATOM 134 CE LYS A 9 37.565 9.472 1.210 1.00 0.00 C ATOM 135 NZ LYS A 9 38.073 10.559 2.095 1.00 0.00 N ATOM 0 H LYS A 9 34.664 6.570 4.512 1.00 0.00 H new ATOM 0 HA LYS A 9 33.667 9.062 3.412 1.00 0.00 H new ATOM 0 HB2 LYS A 9 34.651 6.353 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 9 34.222 7.653 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 9 36.062 8.370 3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 9 36.738 7.355 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 9 35.482 9.179 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 9 35.739 10.192 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 9 38.124 8.548 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 9 37.664 9.740 0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 39.076 10.736 1.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 37.526 11.427 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 37.972 10.273 3.090 1.00 0.00 H new ATOM 149 N PHE A 10 31.668 6.518 3.365 1.00 0.00 N ATOM 150 CA PHE A 10 30.275 6.102 3.044 1.00 0.00 C ATOM 151 C PHE A 10 29.263 7.100 3.621 1.00 0.00 C ATOM 152 O PHE A 10 28.559 7.779 2.895 1.00 0.00 O ATOM 153 CB PHE A 10 30.131 4.742 3.731 1.00 0.00 C ATOM 154 CG PHE A 10 29.157 3.870 2.983 1.00 0.00 C ATOM 155 CD1 PHE A 10 29.559 3.218 1.796 1.00 0.00 C ATOM 156 CD2 PHE A 10 27.848 3.687 3.483 1.00 0.00 C ATOM 157 CE1 PHE A 10 28.652 2.383 1.109 1.00 0.00 C ATOM 158 CE2 PHE A 10 26.940 2.854 2.794 1.00 0.00 C ATOM 159 CZ PHE A 10 27.344 2.201 1.607 1.00 0.00 C ATOM 0 H PHE A 10 32.189 5.857 3.941 1.00 0.00 H new ATOM 0 HA PHE A 10 30.088 6.059 1.971 1.00 0.00 H new ATOM 0 HB2 PHE A 10 31.102 4.250 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 10 29.789 4.881 4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 10 30.560 3.358 1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 10 27.542 4.184 4.392 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.959 1.883 0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 10 25.938 2.716 3.173 1.00 0.00 H new ATOM 0 HZ PHE A 10 26.651 1.562 1.080 1.00 0.00 H new ATOM 169 N LYS A 11 29.178 7.192 4.921 1.00 0.00 N ATOM 170 CA LYS A 11 28.199 8.136 5.535 1.00 0.00 C ATOM 171 C LYS A 11 28.541 9.578 5.163 1.00 0.00 C ATOM 172 O LYS A 11 27.672 10.399 4.945 1.00 0.00 O ATOM 173 CB LYS A 11 28.335 7.914 7.039 1.00 0.00 C ATOM 174 CG LYS A 11 27.353 8.823 7.778 1.00 0.00 C ATOM 175 CD LYS A 11 25.927 8.314 7.555 1.00 0.00 C ATOM 176 CE LYS A 11 25.249 8.087 8.908 1.00 0.00 C ATOM 177 NZ LYS A 11 23.816 7.842 8.579 1.00 0.00 N ATOM 0 H LYS A 11 29.741 6.657 5.582 1.00 0.00 H new ATOM 0 HA LYS A 11 27.181 7.962 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.136 6.871 7.283 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.355 8.127 7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.584 8.837 8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 11 27.446 9.848 7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 11 25.359 9.036 6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 11 25.946 7.385 6.985 1.00 0.00 H new ATOM 0 HE2 LYS A 11 25.686 7.237 9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 11 25.363 8.954 9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 23.356 7.355 9.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 23.339 8.750 8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 23.752 7.250 7.726 1.00 0.00 H new ATOM 191 N GLU A 12 29.799 9.887 5.078 1.00 0.00 N ATOM 192 CA GLU A 12 30.209 11.269 4.707 1.00 0.00 C ATOM 193 C GLU A 12 29.823 11.545 3.254 1.00 0.00 C ATOM 194 O GLU A 12 29.692 12.679 2.838 1.00 0.00 O ATOM 195 CB GLU A 12 31.729 11.288 4.870 1.00 0.00 C ATOM 196 CG GLU A 12 32.086 11.738 6.288 1.00 0.00 C ATOM 197 CD GLU A 12 33.596 11.966 6.385 1.00 0.00 C ATOM 198 OE1 GLU A 12 34.323 10.987 6.416 1.00 0.00 O ATOM 199 OE2 GLU A 12 34.000 13.117 6.427 1.00 0.00 O ATOM 0 H GLU A 12 30.568 9.240 5.250 1.00 0.00 H new ATOM 0 HA GLU A 12 29.727 12.029 5.322 1.00 0.00 H new ATOM 0 HB2 GLU A 12 32.138 10.296 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 12 32.175 11.963 4.140 1.00 0.00 H new ATOM 0 HG2 GLU A 12 31.552 12.656 6.535 1.00 0.00 H new ATOM 0 HG3 GLU A 12 31.774 10.983 7.010 1.00 0.00 H new ATOM 206 N LEU A 13 29.640 10.511 2.479 1.00 0.00 N ATOM 207 CA LEU A 13 29.263 10.705 1.054 1.00 0.00 C ATOM 208 C LEU A 13 27.775 11.043 0.950 1.00 0.00 C ATOM 209 O LEU A 13 27.370 11.866 0.153 1.00 0.00 O ATOM 210 CB LEU A 13 29.570 9.366 0.388 1.00 0.00 C ATOM 211 CG LEU A 13 30.930 9.454 -0.306 1.00 0.00 C ATOM 212 CD1 LEU A 13 31.471 8.048 -0.556 1.00 0.00 C ATOM 213 CD2 LEU A 13 30.774 10.182 -1.640 1.00 0.00 C ATOM 0 H LEU A 13 29.736 9.539 2.774 1.00 0.00 H new ATOM 0 HA LEU A 13 29.803 11.525 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 13 29.578 8.569 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 13 28.793 9.119 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 13 31.625 10.002 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 13 32.440 8.114 -1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 13 31.583 7.527 0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 13 30.776 7.498 -1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 13 31.743 10.245 -2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 13 30.077 9.634 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 13 30.391 11.187 -1.463 1.00 0.00 H new ATOM 225 N TRP A 14 26.955 10.424 1.753 1.00 0.00 N ATOM 226 CA TRP A 14 25.496 10.734 1.694 1.00 0.00 C ATOM 227 C TRP A 14 25.258 12.170 2.145 1.00 0.00 C ATOM 228 O TRP A 14 24.544 12.924 1.515 1.00 0.00 O ATOM 229 CB TRP A 14 24.836 9.758 2.664 1.00 0.00 C ATOM 230 CG TRP A 14 24.131 8.712 1.878 1.00 0.00 C ATOM 231 CD1 TRP A 14 22.899 8.828 1.325 1.00 0.00 C ATOM 232 CD2 TRP A 14 24.609 7.397 1.536 1.00 0.00 C ATOM 233 NE1 TRP A 14 22.596 7.658 0.660 1.00 0.00 N ATOM 234 CE2 TRP A 14 23.620 6.744 0.760 1.00 0.00 C ATOM 235 CE3 TRP A 14 25.806 6.707 1.823 1.00 0.00 C ATOM 236 CZ2 TRP A 14 23.814 5.446 0.284 1.00 0.00 C ATOM 237 CZ3 TRP A 14 26.011 5.401 1.348 1.00 0.00 C ATOM 238 CH2 TRP A 14 25.018 4.768 0.577 1.00 0.00 C ATOM 0 H TRP A 14 27.227 9.723 2.442 1.00 0.00 H new ATOM 0 HA TRP A 14 25.093 10.635 0.686 1.00 0.00 H new ATOM 0 HB2 TRP A 14 25.586 9.303 3.312 1.00 0.00 H new ATOM 0 HB3 TRP A 14 24.133 10.284 3.310 1.00 0.00 H new ATOM 0 HD1 TRP A 14 22.259 9.695 1.394 1.00 0.00 H new ATOM 0 HE1 TRP A 14 21.724 7.491 0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 14 26.572 7.188 2.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 23.048 4.963 -0.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 26.931 4.882 1.574 1.00 0.00 H new ATOM 0 HH2 TRP A 14 25.177 3.765 0.210 1.00 0.00 H new ATOM 249 N LYS A 15 25.856 12.548 3.233 1.00 0.00 N ATOM 250 CA LYS A 15 25.679 13.932 3.739 1.00 0.00 C ATOM 251 C LYS A 15 26.927 14.757 3.416 1.00 0.00 C ATOM 252 O LYS A 15 27.617 15.239 4.292 1.00 0.00 O ATOM 253 CB LYS A 15 25.496 13.759 5.244 1.00 0.00 C ATOM 254 CG LYS A 15 25.318 15.128 5.905 1.00 0.00 C ATOM 255 CD LYS A 15 23.827 15.455 6.003 1.00 0.00 C ATOM 256 CE LYS A 15 23.514 15.992 7.401 1.00 0.00 C ATOM 257 NZ LYS A 15 22.198 15.389 7.754 1.00 0.00 N ATOM 0 H LYS A 15 26.464 11.955 3.798 1.00 0.00 H new ATOM 0 HA LYS A 15 24.836 14.457 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 15 24.627 13.132 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 15 26.361 13.250 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 15 25.767 15.126 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 15 25.832 15.894 5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 15 23.555 16.194 5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.234 14.562 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 15 24.285 15.706 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 15 23.464 17.081 7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 21.912 15.709 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.483 15.684 7.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 22.279 14.352 7.749 1.00 0.00 H new ATOM 271 N GLY A 16 27.223 14.912 2.153 1.00 0.00 N ATOM 272 CA GLY A 16 28.425 15.693 1.750 1.00 0.00 C ATOM 273 C GLY A 16 28.361 15.982 0.245 1.00 0.00 C ATOM 274 O GLY A 16 27.782 16.966 -0.172 1.00 0.00 O ATOM 0 H GLY A 16 26.679 14.528 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 16 28.470 16.627 2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 16 29.331 15.135 1.987 1.00 0.00 H new ATOM 278 N PRO A 17 28.964 15.110 -0.524 1.00 0.00 N ATOM 279 CA PRO A 17 28.977 15.278 -1.997 1.00 0.00 C ATOM 280 C PRO A 17 27.607 14.938 -2.600 1.00 0.00 C ATOM 281 O PRO A 17 26.755 15.795 -2.728 1.00 0.00 O ATOM 282 CB PRO A 17 30.059 14.305 -2.460 1.00 0.00 C ATOM 283 CG PRO A 17 30.148 13.265 -1.383 1.00 0.00 C ATOM 284 CD PRO A 17 29.685 13.905 -0.096 1.00 0.00 C ATOM 0 HA PRO A 17 29.180 16.302 -2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 17 29.799 13.856 -3.419 1.00 0.00 H new ATOM 0 HB3 PRO A 17 31.013 14.814 -2.594 1.00 0.00 H new ATOM 0 HG2 PRO A 17 29.526 12.404 -1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 17 31.171 12.902 -1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 17 29.038 13.235 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 17 30.528 14.155 0.549 1.00 0.00 H new ATOM 292 N ARG A 18 27.380 13.708 -2.975 1.00 0.00 N ATOM 293 CA ARG A 18 26.052 13.351 -3.568 1.00 0.00 C ATOM 294 C ARG A 18 25.382 12.256 -2.739 1.00 0.00 C ATOM 295 O ARG A 18 25.990 11.647 -1.882 1.00 0.00 O ATOM 296 CB ARG A 18 26.288 12.855 -5.019 1.00 0.00 C ATOM 297 CG ARG A 18 27.771 12.581 -5.314 1.00 0.00 C ATOM 298 CD ARG A 18 28.220 11.318 -4.584 1.00 0.00 C ATOM 299 NE ARG A 18 29.671 11.531 -4.324 1.00 0.00 N ATOM 300 CZ ARG A 18 30.514 11.566 -5.320 1.00 0.00 C ATOM 301 NH1 ARG A 18 30.466 10.651 -6.249 1.00 0.00 N ATOM 302 NH2 ARG A 18 31.405 12.518 -5.386 1.00 0.00 N ATOM 0 H ARG A 18 28.047 12.940 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 18 25.397 14.222 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG A 18 25.713 11.944 -5.186 1.00 0.00 H new ATOM 0 HB3 ARG A 18 25.913 13.601 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 18 27.922 12.465 -6.387 1.00 0.00 H new ATOM 0 HG3 ARG A 18 28.377 13.430 -4.997 1.00 0.00 H new ATOM 0 HD2 ARG A 18 27.667 11.179 -3.655 1.00 0.00 H new ATOM 0 HD3 ARG A 18 28.052 10.428 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 18 30.006 11.649 -3.368 1.00 0.00 H new ATOM 0 HH11 ARG A 18 29.769 9.908 -6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 18 31.125 10.679 -7.027 1.00 0.00 H new ATOM 0 HH21 ARG A 18 31.442 13.233 -4.660 1.00 0.00 H new ATOM 0 HH22 ARG A 18 32.064 12.546 -6.164 1.00 0.00 H new ATOM 316 N ARG A 19 24.125 12.013 -2.984 1.00 0.00 N ATOM 317 CA ARG A 19 23.398 10.967 -2.208 1.00 0.00 C ATOM 318 C ARG A 19 22.744 9.949 -3.149 1.00 0.00 C ATOM 319 O ARG A 19 22.648 8.778 -2.840 1.00 0.00 O ATOM 320 CB ARG A 19 22.332 11.740 -1.429 1.00 0.00 C ATOM 321 CG ARG A 19 21.459 10.765 -0.640 1.00 0.00 C ATOM 322 CD ARG A 19 20.048 10.746 -1.232 1.00 0.00 C ATOM 323 NE ARG A 19 19.142 10.933 -0.063 1.00 0.00 N ATOM 324 CZ ARG A 19 17.857 10.754 -0.197 1.00 0.00 C ATOM 325 NH1 ARG A 19 17.381 9.551 -0.371 1.00 0.00 N ATOM 326 NH2 ARG A 19 17.047 11.777 -0.157 1.00 0.00 N ATOM 0 H ARG A 19 23.567 12.494 -3.690 1.00 0.00 H new ATOM 0 HA ARG A 19 24.062 10.401 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 19 22.807 12.449 -0.750 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.716 12.320 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.892 9.765 -0.673 1.00 0.00 H new ATOM 0 HG3 ARG A 19 21.421 11.062 0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 19 19.916 11.541 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 19 19.846 9.804 -1.743 1.00 0.00 H new ATOM 0 HE ARG A 19 19.527 11.201 0.843 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.014 8.752 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.376 9.410 -0.476 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.419 12.717 -0.021 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.042 11.636 -0.262 1.00 0.00 H new ATOM 340 N GLY A 20 22.286 10.385 -4.290 1.00 0.00 N ATOM 341 CA GLY A 20 21.634 9.440 -5.240 1.00 0.00 C ATOM 342 C GLY A 20 22.689 8.540 -5.888 1.00 0.00 C ATOM 343 O GLY A 20 22.533 7.337 -5.955 1.00 0.00 O ATOM 0 H GLY A 20 22.335 11.354 -4.605 1.00 0.00 H new ATOM 0 HA2 GLY A 20 20.898 8.832 -4.714 1.00 0.00 H new ATOM 0 HA3 GLY A 20 21.097 9.996 -6.008 1.00 0.00 H new ATOM 347 N GLU A 21 23.757 9.111 -6.373 1.00 0.00 N ATOM 348 CA GLU A 21 24.813 8.282 -7.023 1.00 0.00 C ATOM 349 C GLU A 21 25.518 7.399 -5.989 1.00 0.00 C ATOM 350 O GLU A 21 25.909 6.284 -6.277 1.00 0.00 O ATOM 351 CB GLU A 21 25.793 9.290 -7.625 1.00 0.00 C ATOM 352 CG GLU A 21 25.879 9.073 -9.137 1.00 0.00 C ATOM 353 CD GLU A 21 27.132 8.258 -9.465 1.00 0.00 C ATOM 354 OE1 GLU A 21 27.410 7.318 -8.739 1.00 0.00 O ATOM 355 OE2 GLU A 21 27.792 8.588 -10.437 1.00 0.00 O ATOM 0 H GLU A 21 23.945 10.113 -6.348 1.00 0.00 H new ATOM 0 HA GLU A 21 24.400 7.611 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.464 10.307 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 21 26.778 9.172 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 21 24.990 8.551 -9.491 1.00 0.00 H new ATOM 0 HG3 GLU A 21 25.912 10.033 -9.652 1.00 0.00 H new ATOM 362 N ILE A 22 25.688 7.884 -4.790 1.00 0.00 N ATOM 363 CA ILE A 22 26.371 7.063 -3.752 1.00 0.00 C ATOM 364 C ILE A 22 25.492 5.859 -3.381 1.00 0.00 C ATOM 365 O ILE A 22 25.947 4.732 -3.368 1.00 0.00 O ATOM 366 CB ILE A 22 26.592 8.038 -2.577 1.00 0.00 C ATOM 367 CG1 ILE A 22 27.970 8.689 -2.745 1.00 0.00 C ATOM 368 CG2 ILE A 22 26.523 7.320 -1.217 1.00 0.00 C ATOM 369 CD1 ILE A 22 29.079 7.663 -2.480 1.00 0.00 C ATOM 0 H ILE A 22 25.385 8.809 -4.485 1.00 0.00 H new ATOM 0 HA ILE A 22 27.319 6.636 -4.079 1.00 0.00 H new ATOM 0 HB ILE A 22 25.801 8.788 -2.591 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.070 9.090 -3.754 1.00 0.00 H new ATOM 0 HG13 ILE A 22 28.070 9.528 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.684 8.042 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.543 6.859 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 22 27.294 6.551 -1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 22 30.052 8.139 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 22 28.987 7.282 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 22 28.987 6.838 -3.186 1.00 0.00 H new ATOM 381 N GLU A 23 24.242 6.082 -3.089 1.00 0.00 N ATOM 382 CA GLU A 23 23.358 4.946 -2.734 1.00 0.00 C ATOM 383 C GLU A 23 23.262 3.981 -3.915 1.00 0.00 C ATOM 384 O GLU A 23 23.189 2.780 -3.736 1.00 0.00 O ATOM 385 CB GLU A 23 22.014 5.592 -2.396 1.00 0.00 C ATOM 386 CG GLU A 23 20.985 4.515 -2.079 1.00 0.00 C ATOM 387 CD GLU A 23 19.882 4.530 -3.139 1.00 0.00 C ATOM 388 OE1 GLU A 23 20.215 4.603 -4.310 1.00 0.00 O ATOM 389 OE2 GLU A 23 18.724 4.470 -2.761 1.00 0.00 O ATOM 0 H GLU A 23 23.798 7.000 -3.082 1.00 0.00 H new ATOM 0 HA GLU A 23 23.725 4.355 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 23 22.127 6.261 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 23 21.671 6.199 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.464 3.536 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 23 20.557 4.687 -1.092 1.00 0.00 H new ATOM 396 N GLU A 24 23.311 4.480 -5.121 1.00 0.00 N ATOM 397 CA GLU A 24 23.276 3.555 -6.288 1.00 0.00 C ATOM 398 C GLU A 24 24.504 2.653 -6.189 1.00 0.00 C ATOM 399 O GLU A 24 24.473 1.478 -6.511 1.00 0.00 O ATOM 400 CB GLU A 24 23.352 4.451 -7.525 1.00 0.00 C ATOM 401 CG GLU A 24 23.199 3.595 -8.784 1.00 0.00 C ATOM 402 CD GLU A 24 23.387 4.472 -10.023 1.00 0.00 C ATOM 403 OE1 GLU A 24 22.936 5.605 -9.997 1.00 0.00 O ATOM 404 OE2 GLU A 24 23.979 3.995 -10.978 1.00 0.00 O ATOM 0 H GLU A 24 23.373 5.473 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 24 22.385 2.929 -6.328 1.00 0.00 H new ATOM 0 HB2 GLU A 24 22.568 5.207 -7.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 24.304 4.981 -7.546 1.00 0.00 H new ATOM 0 HG2 GLU A 24 23.934 2.790 -8.781 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.214 3.128 -8.802 1.00 0.00 H new ATOM 411 N LEU A 25 25.580 3.208 -5.704 1.00 0.00 N ATOM 412 CA LEU A 25 26.824 2.416 -5.527 1.00 0.00 C ATOM 413 C LEU A 25 26.536 1.246 -4.591 1.00 0.00 C ATOM 414 O LEU A 25 26.849 0.114 -4.885 1.00 0.00 O ATOM 415 CB LEU A 25 27.816 3.380 -4.877 1.00 0.00 C ATOM 416 CG LEU A 25 29.204 3.180 -5.487 1.00 0.00 C ATOM 417 CD1 LEU A 25 29.670 1.747 -5.236 1.00 0.00 C ATOM 418 CD2 LEU A 25 29.142 3.435 -6.991 1.00 0.00 C ATOM 0 H LEU A 25 25.649 4.186 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 25 27.208 2.012 -6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 25 27.488 4.409 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 25 27.853 3.209 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 25 29.905 3.877 -5.027 1.00 0.00 H new ATOM 0 HD11 LEU A 25 30.659 1.605 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 25 29.715 1.562 -4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 25 28.968 1.051 -5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 25 30.132 3.292 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU A 25 28.441 2.738 -7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 25 28.810 4.457 -7.173 1.00 0.00 H new ATOM 430 N HIS A 26 25.927 1.517 -3.465 1.00 0.00 N ATOM 431 CA HIS A 26 25.602 0.422 -2.505 1.00 0.00 C ATOM 432 C HIS A 26 24.879 -0.711 -3.235 1.00 0.00 C ATOM 433 O HIS A 26 25.200 -1.871 -3.069 1.00 0.00 O ATOM 434 CB HIS A 26 24.688 1.061 -1.462 1.00 0.00 C ATOM 435 CG HIS A 26 24.229 0.006 -0.492 1.00 0.00 C ATOM 436 ND1 HIS A 26 25.072 -0.552 0.457 1.00 0.00 N ATOM 437 CD2 HIS A 26 23.017 -0.607 -0.322 1.00 0.00 C ATOM 438 CE1 HIS A 26 24.355 -1.457 1.152 1.00 0.00 C ATOM 439 NE2 HIS A 26 23.096 -1.530 0.715 1.00 0.00 N ATOM 0 H HIS A 26 25.641 2.450 -3.170 1.00 0.00 H new ATOM 0 HA HIS A 26 26.493 -0.008 -2.048 1.00 0.00 H new ATOM 0 HB2 HIS A 26 25.218 1.852 -0.933 1.00 0.00 H new ATOM 0 HB3 HIS A 26 23.829 1.523 -1.948 1.00 0.00 H new ATOM 0 HD1 HIS A 26 26.055 -0.320 0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 26 22.132 -0.404 -0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 26 24.751 -2.050 1.963 1.00 0.00 H new ATOM 447 N LYS A 27 23.915 -0.386 -4.055 1.00 0.00 N ATOM 448 CA LYS A 27 23.191 -1.454 -4.805 1.00 0.00 C ATOM 449 C LYS A 27 24.208 -2.337 -5.530 1.00 0.00 C ATOM 450 O LYS A 27 24.126 -3.550 -5.510 1.00 0.00 O ATOM 451 CB LYS A 27 22.306 -0.711 -5.807 1.00 0.00 C ATOM 452 CG LYS A 27 20.890 -1.288 -5.763 1.00 0.00 C ATOM 453 CD LYS A 27 20.238 -0.937 -4.423 1.00 0.00 C ATOM 454 CE LYS A 27 19.531 0.415 -4.538 1.00 0.00 C ATOM 455 NZ LYS A 27 18.201 0.102 -5.133 1.00 0.00 N ATOM 0 H LYS A 27 23.599 0.567 -4.237 1.00 0.00 H new ATOM 0 HA LYS A 27 22.599 -2.100 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 27 22.284 0.353 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 27 22.718 -0.805 -6.812 1.00 0.00 H new ATOM 0 HG2 LYS A 27 20.297 -0.887 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 27 20.922 -2.370 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.523 -1.710 -4.141 1.00 0.00 H new ATOM 0 HD3 LYS A 27 20.993 -0.899 -3.638 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.426 0.890 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.094 1.103 -5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.835 0.941 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.299 -0.682 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.539 -0.172 -4.379 1.00 0.00 H new ATOM 469 N LYS A 28 25.183 -1.734 -6.156 1.00 0.00 N ATOM 470 CA LYS A 28 26.217 -2.541 -6.860 1.00 0.00 C ATOM 471 C LYS A 28 26.913 -3.462 -5.852 1.00 0.00 C ATOM 472 O LYS A 28 27.030 -4.650 -6.065 1.00 0.00 O ATOM 473 CB LYS A 28 27.202 -1.520 -7.430 1.00 0.00 C ATOM 474 CG LYS A 28 27.041 -1.450 -8.950 1.00 0.00 C ATOM 475 CD LYS A 28 26.064 -0.329 -9.309 1.00 0.00 C ATOM 476 CE LYS A 28 24.867 -0.917 -10.058 1.00 0.00 C ATOM 477 NZ LYS A 28 24.265 0.238 -10.783 1.00 0.00 N ATOM 0 H LYS A 28 25.307 -0.723 -6.209 1.00 0.00 H new ATOM 0 HA LYS A 28 25.799 -3.172 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 28 27.022 -0.540 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 28 28.223 -1.802 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 28 28.007 -1.269 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 28 26.674 -2.403 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.727 0.178 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.562 0.418 -9.927 1.00 0.00 H new ATOM 0 HE2 LYS A 28 25.179 -1.699 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 28 24.152 -1.368 -9.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.436 -0.084 -11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 23.972 0.963 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 24.967 0.642 -11.436 1.00 0.00 H new ATOM 491 N PHE A 29 27.360 -2.916 -4.749 1.00 0.00 N ATOM 492 CA PHE A 29 28.037 -3.743 -3.706 1.00 0.00 C ATOM 493 C PHE A 29 27.195 -4.976 -3.378 1.00 0.00 C ATOM 494 O PHE A 29 27.716 -6.048 -3.144 1.00 0.00 O ATOM 495 CB PHE A 29 28.147 -2.821 -2.487 1.00 0.00 C ATOM 496 CG PHE A 29 29.167 -1.713 -2.721 1.00 0.00 C ATOM 497 CD1 PHE A 29 30.108 -1.784 -3.784 1.00 0.00 C ATOM 498 CD2 PHE A 29 29.182 -0.600 -1.851 1.00 0.00 C ATOM 499 CE1 PHE A 29 31.049 -0.749 -3.967 1.00 0.00 C ATOM 500 CE2 PHE A 29 30.125 0.435 -2.038 1.00 0.00 C ATOM 501 CZ PHE A 29 31.057 0.359 -3.095 1.00 0.00 C ATOM 0 H PHE A 29 27.284 -1.924 -4.525 1.00 0.00 H new ATOM 0 HA PHE A 29 29.011 -4.108 -4.032 1.00 0.00 H new ATOM 0 HB2 PHE A 29 27.173 -2.382 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 29 28.435 -3.404 -1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 29 30.103 -2.632 -4.453 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.471 -0.540 -1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 29 31.763 -0.805 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 29 30.133 1.285 -1.372 1.00 0.00 H new ATOM 0 HZ PHE A 29 31.778 1.151 -3.236 1.00 0.00 H new ATOM 511 N HIS A 30 25.897 -4.842 -3.374 1.00 0.00 N ATOM 512 CA HIS A 30 25.037 -6.021 -3.078 1.00 0.00 C ATOM 513 C HIS A 30 25.240 -7.067 -4.174 1.00 0.00 C ATOM 514 O HIS A 30 25.479 -8.227 -3.903 1.00 0.00 O ATOM 515 CB HIS A 30 23.605 -5.482 -3.079 1.00 0.00 C ATOM 516 CG HIS A 30 22.636 -6.625 -2.942 1.00 0.00 C ATOM 517 ND1 HIS A 30 22.284 -7.637 -3.801 1.00 0.00 N flip ATOM 518 CD2 HIS A 30 21.887 -6.827 -1.794 1.00 0.00 C flip ATOM 519 CE1 HIS A 30 21.333 -8.454 -3.198 1.00 0.00 C flip ATOM 520 NE2 HIS A 30 21.130 -7.921 -1.991 1.00 0.00 N flip ATOM 0 H HIS A 30 25.398 -3.973 -3.562 1.00 0.00 H new ATOM 0 HA HIS A 30 25.271 -6.498 -2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 30 23.470 -4.777 -2.258 1.00 0.00 H new ATOM 0 HB3 HIS A 30 23.412 -4.937 -4.003 1.00 0.00 H new ATOM 0 HD2 HIS A 30 21.907 -6.217 -0.903 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.861 -9.331 -3.616 1.00 0.00 H new ATOM 0 HE2 HIS A 30 20.480 -8.298 -1.302 1.00 0.00 H new ATOM 528 N GLU A 31 25.180 -6.657 -5.412 1.00 0.00 N ATOM 529 CA GLU A 31 25.409 -7.623 -6.524 1.00 0.00 C ATOM 530 C GLU A 31 26.919 -7.846 -6.710 1.00 0.00 C ATOM 531 O GLU A 31 27.347 -8.589 -7.571 1.00 0.00 O ATOM 532 CB GLU A 31 24.807 -6.955 -7.761 1.00 0.00 C ATOM 533 CG GLU A 31 24.319 -8.030 -8.733 1.00 0.00 C ATOM 534 CD GLU A 31 22.825 -7.835 -9.000 1.00 0.00 C ATOM 535 OE1 GLU A 31 22.057 -7.937 -8.058 1.00 0.00 O ATOM 536 OE2 GLU A 31 22.475 -7.587 -10.143 1.00 0.00 O ATOM 0 H GLU A 31 24.983 -5.699 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 31 24.958 -8.597 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 31 23.979 -6.308 -7.472 1.00 0.00 H new ATOM 0 HB3 GLU A 31 25.551 -6.323 -8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 31 24.877 -7.971 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 31 24.499 -9.021 -8.316 1.00 0.00 H new ATOM 543 N LEU A 32 27.726 -7.203 -5.902 1.00 0.00 N ATOM 544 CA LEU A 32 29.203 -7.359 -6.009 1.00 0.00 C ATOM 545 C LEU A 32 29.671 -8.493 -5.098 1.00 0.00 C ATOM 546 O LEU A 32 30.622 -9.189 -5.390 1.00 0.00 O ATOM 547 CB LEU A 32 29.754 -6.021 -5.497 1.00 0.00 C ATOM 548 CG LEU A 32 31.157 -5.752 -6.052 1.00 0.00 C ATOM 549 CD1 LEU A 32 31.608 -4.363 -5.598 1.00 0.00 C ATOM 550 CD2 LEU A 32 32.146 -6.787 -5.518 1.00 0.00 C ATOM 0 H LEU A 32 27.416 -6.570 -5.165 1.00 0.00 H new ATOM 0 HA LEU A 32 29.533 -7.596 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 29.083 -5.213 -5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 32 29.786 -6.031 -4.408 1.00 0.00 H new ATOM 0 HG LEU A 32 31.128 -5.812 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.606 -4.159 -5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 32 30.912 -3.613 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 32 31.628 -4.325 -4.509 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.138 -6.584 -5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 32 32.178 -6.732 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 32 31.829 -7.784 -5.822 1.00 0.00 H new ATOM 562 N ILE A 33 29.026 -8.664 -3.975 1.00 0.00 N ATOM 563 CA ILE A 33 29.465 -9.729 -3.027 1.00 0.00 C ATOM 564 C ILE A 33 28.326 -10.722 -2.743 1.00 0.00 C ATOM 565 O ILE A 33 28.492 -11.670 -2.002 1.00 0.00 O ATOM 566 CB ILE A 33 29.868 -8.972 -1.752 1.00 0.00 C ATOM 567 CG1 ILE A 33 28.618 -8.385 -1.083 1.00 0.00 C ATOM 568 CG2 ILE A 33 30.843 -7.839 -2.112 1.00 0.00 C ATOM 569 CD1 ILE A 33 29.002 -7.671 0.212 1.00 0.00 C ATOM 0 H ILE A 33 28.220 -8.117 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 33 30.285 -10.324 -3.429 1.00 0.00 H new ATOM 0 HB ILE A 33 30.355 -9.661 -1.062 1.00 0.00 H new ATOM 0 HG12 ILE A 33 28.127 -7.687 -1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.902 -9.179 -0.871 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.128 -7.303 -1.207 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.733 -8.260 -2.580 1.00 0.00 H new ATOM 0 HG23 ILE A 33 30.360 -7.150 -2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 33 28.108 -7.258 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 33 29.472 -8.380 0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 33 29.700 -6.864 -0.011 1.00 0.00 H new ATOM 652 N GLU B 4 33.718 6.769 -6.277 1.00 0.00 N ATOM 653 CA GLU B 4 34.609 5.802 -6.980 1.00 0.00 C ATOM 654 C GLU B 4 35.777 5.404 -6.072 1.00 0.00 C ATOM 655 O GLU B 4 36.396 4.375 -6.257 1.00 0.00 O ATOM 656 CB GLU B 4 35.121 6.555 -8.208 1.00 0.00 C ATOM 657 CG GLU B 4 34.697 5.810 -9.475 1.00 0.00 C ATOM 658 CD GLU B 4 35.356 6.461 -10.693 1.00 0.00 C ATOM 659 OE1 GLU B 4 35.059 7.615 -10.956 1.00 0.00 O ATOM 660 OE2 GLU B 4 36.147 5.795 -11.341 1.00 0.00 O ATOM 0 HA GLU B 4 34.088 4.884 -7.252 1.00 0.00 H new ATOM 0 HB2 GLU B 4 34.722 7.569 -8.219 1.00 0.00 H new ATOM 0 HB3 GLU B 4 36.207 6.640 -8.169 1.00 0.00 H new ATOM 0 HG2 GLU B 4 34.987 4.762 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU B 4 33.612 5.834 -9.578 1.00 0.00 H new ATOM 667 N GLU B 5 36.082 6.212 -5.094 1.00 0.00 N ATOM 668 CA GLU B 5 37.208 5.878 -4.176 1.00 0.00 C ATOM 669 C GLU B 5 36.797 4.744 -3.236 1.00 0.00 C ATOM 670 O GLU B 5 37.475 3.741 -3.121 1.00 0.00 O ATOM 671 CB GLU B 5 37.471 7.161 -3.387 1.00 0.00 C ATOM 672 CG GLU B 5 38.839 7.726 -3.775 1.00 0.00 C ATOM 673 CD GLU B 5 39.407 8.535 -2.608 1.00 0.00 C ATOM 674 OE1 GLU B 5 38.648 9.272 -1.999 1.00 0.00 O ATOM 675 OE2 GLU B 5 40.590 8.405 -2.342 1.00 0.00 O ATOM 0 H GLU B 5 35.601 7.088 -4.891 1.00 0.00 H new ATOM 0 HA GLU B 5 38.096 5.543 -4.712 1.00 0.00 H new ATOM 0 HB2 GLU B 5 36.691 7.894 -3.593 1.00 0.00 H new ATOM 0 HB3 GLU B 5 37.441 6.955 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU B 5 39.519 6.915 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU B 5 38.746 8.358 -4.658 1.00 0.00 H new ATOM 682 N LEU B 6 35.688 4.892 -2.566 1.00 0.00 N ATOM 683 CA LEU B 6 35.233 3.819 -1.639 1.00 0.00 C ATOM 684 C LEU B 6 34.888 2.557 -2.449 1.00 0.00 C ATOM 685 O LEU B 6 34.936 1.450 -1.948 1.00 0.00 O ATOM 686 CB LEU B 6 34.024 4.438 -0.890 1.00 0.00 C ATOM 687 CG LEU B 6 32.681 3.849 -1.348 1.00 0.00 C ATOM 688 CD1 LEU B 6 32.486 2.472 -0.713 1.00 0.00 C ATOM 689 CD2 LEU B 6 31.543 4.772 -0.902 1.00 0.00 C ATOM 0 H LEU B 6 35.078 5.708 -2.620 1.00 0.00 H new ATOM 0 HA LEU B 6 35.986 3.496 -0.920 1.00 0.00 H new ATOM 0 HB2 LEU B 6 34.142 4.274 0.181 1.00 0.00 H new ATOM 0 HB3 LEU B 6 34.017 5.516 -1.048 1.00 0.00 H new ATOM 0 HG LEU B 6 32.677 3.757 -2.434 1.00 0.00 H new ATOM 0 HD11 LEU B 6 31.533 2.053 -1.037 1.00 0.00 H new ATOM 0 HD12 LEU B 6 33.296 1.811 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU B 6 32.489 2.568 0.373 1.00 0.00 H new ATOM 0 HD21 LEU B 6 30.589 4.356 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU B 6 31.550 4.860 0.184 1.00 0.00 H new ATOM 0 HD23 LEU B 6 31.679 5.758 -1.347 1.00 0.00 H new ATOM 701 N GLU B 7 34.562 2.721 -3.704 1.00 0.00 N ATOM 702 CA GLU B 7 34.236 1.539 -4.555 1.00 0.00 C ATOM 703 C GLU B 7 35.509 0.738 -4.831 1.00 0.00 C ATOM 704 O GLU B 7 35.553 -0.466 -4.659 1.00 0.00 O ATOM 705 CB GLU B 7 33.688 2.127 -5.854 1.00 0.00 C ATOM 706 CG GLU B 7 32.850 1.073 -6.580 1.00 0.00 C ATOM 707 CD GLU B 7 33.410 0.856 -7.987 1.00 0.00 C ATOM 708 OE1 GLU B 7 33.436 1.811 -8.747 1.00 0.00 O ATOM 709 OE2 GLU B 7 33.804 -0.261 -8.282 1.00 0.00 O ATOM 0 H GLU B 7 34.507 3.623 -4.177 1.00 0.00 H new ATOM 0 HA GLU B 7 33.522 0.866 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU B 7 33.080 3.006 -5.639 1.00 0.00 H new ATOM 0 HB3 GLU B 7 34.509 2.456 -6.491 1.00 0.00 H new ATOM 0 HG2 GLU B 7 32.863 0.136 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU B 7 31.810 1.395 -6.637 1.00 0.00 H new ATOM 716 N LYS B 8 36.547 1.403 -5.257 1.00 0.00 N ATOM 717 CA LYS B 8 37.822 0.687 -5.541 1.00 0.00 C ATOM 718 C LYS B 8 38.311 -0.011 -4.277 1.00 0.00 C ATOM 719 O LYS B 8 38.676 -1.165 -4.302 1.00 0.00 O ATOM 720 CB LYS B 8 38.806 1.772 -5.981 1.00 0.00 C ATOM 721 CG LYS B 8 39.171 1.564 -7.453 1.00 0.00 C ATOM 722 CD LYS B 8 38.325 2.495 -8.324 1.00 0.00 C ATOM 723 CE LYS B 8 38.964 2.617 -9.708 1.00 0.00 C ATOM 724 NZ LYS B 8 37.823 2.537 -10.663 1.00 0.00 N ATOM 0 H LYS B 8 36.568 2.410 -5.420 1.00 0.00 H new ATOM 0 HA LYS B 8 37.709 -0.080 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS B 8 38.363 2.758 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS B 8 39.704 1.735 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS B 8 40.231 1.766 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS B 8 39.000 0.526 -7.738 1.00 0.00 H new ATOM 0 HD2 LYS B 8 37.311 2.106 -8.413 1.00 0.00 H new ATOM 0 HD3 LYS B 8 38.250 3.478 -7.858 1.00 0.00 H new ATOM 0 HE2 LYS B 8 39.503 3.559 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS B 8 39.683 1.817 -9.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 38.180 2.613 -11.637 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 37.334 1.627 -10.544 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 37.158 3.315 -10.476 1.00 0.00 H new ATOM 738 N LYS B 9 38.300 0.668 -3.168 1.00 0.00 N ATOM 739 CA LYS B 9 38.739 0.019 -1.903 1.00 0.00 C ATOM 740 C LYS B 9 37.792 -1.141 -1.590 1.00 0.00 C ATOM 741 O LYS B 9 38.143 -2.089 -0.916 1.00 0.00 O ATOM 742 CB LYS B 9 38.631 1.112 -0.841 1.00 0.00 C ATOM 743 CG LYS B 9 39.817 2.070 -0.970 1.00 0.00 C ATOM 744 CD LYS B 9 40.932 1.634 -0.018 1.00 0.00 C ATOM 745 CE LYS B 9 41.711 2.863 0.454 1.00 0.00 C ATOM 746 NZ LYS B 9 42.953 2.868 -0.369 1.00 0.00 N ATOM 0 H LYS B 9 38.007 1.641 -3.081 1.00 0.00 H new ATOM 0 HA LYS B 9 39.750 -0.385 -1.954 1.00 0.00 H new ATOM 0 HB2 LYS B 9 37.695 1.658 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS B 9 38.616 0.667 0.154 1.00 0.00 H new ATOM 0 HG2 LYS B 9 40.183 2.076 -1.997 1.00 0.00 H new ATOM 0 HG3 LYS B 9 39.503 3.088 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS B 9 40.509 1.108 0.838 1.00 0.00 H new ATOM 0 HD3 LYS B 9 41.602 0.937 -0.521 1.00 0.00 H new ATOM 0 HE2 LYS B 9 41.135 3.777 0.306 1.00 0.00 H new ATOM 0 HE3 LYS B 9 41.942 2.800 1.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 43.542 3.683 -0.104 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 43.483 1.989 -0.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 42.702 2.935 -1.376 1.00 0.00 H new ATOM 760 N PHE B 10 36.589 -1.062 -2.091 1.00 0.00 N ATOM 761 CA PHE B 10 35.588 -2.139 -1.854 1.00 0.00 C ATOM 762 C PHE B 10 36.070 -3.468 -2.450 1.00 0.00 C ATOM 763 O PHE B 10 36.334 -4.421 -1.740 1.00 0.00 O ATOM 764 CB PHE B 10 34.340 -1.648 -2.592 1.00 0.00 C ATOM 765 CG PHE B 10 33.092 -2.162 -1.923 1.00 0.00 C ATOM 766 CD1 PHE B 10 32.623 -1.552 -0.739 1.00 0.00 C ATOM 767 CD2 PHE B 10 32.380 -3.241 -2.495 1.00 0.00 C ATOM 768 CE1 PHE B 10 31.441 -2.020 -0.127 1.00 0.00 C ATOM 769 CE2 PHE B 10 31.200 -3.711 -1.880 1.00 0.00 C ATOM 770 CZ PHE B 10 30.730 -3.099 -0.697 1.00 0.00 C ATOM 0 H PHE B 10 36.254 -0.286 -2.662 1.00 0.00 H new ATOM 0 HA PHE B 10 35.412 -2.322 -0.794 1.00 0.00 H new ATOM 0 HB2 PHE B 10 34.327 -0.558 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE B 10 34.368 -1.984 -3.629 1.00 0.00 H new ATOM 0 HD1 PHE B 10 33.168 -0.728 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE B 10 32.739 -3.705 -3.402 1.00 0.00 H new ATOM 0 HE1 PHE B 10 31.080 -1.553 0.777 1.00 0.00 H new ATOM 0 HE2 PHE B 10 30.657 -4.538 -2.313 1.00 0.00 H new ATOM 0 HZ PHE B 10 29.826 -3.457 -0.228 1.00 0.00 H new ATOM 780 N LYS B 11 36.182 -3.542 -3.750 1.00 0.00 N ATOM 781 CA LYS B 11 36.633 -4.817 -4.382 1.00 0.00 C ATOM 782 C LYS B 11 38.059 -5.156 -3.946 1.00 0.00 C ATOM 783 O LYS B 11 38.403 -6.305 -3.746 1.00 0.00 O ATOM 784 CB LYS B 11 36.571 -4.550 -5.883 1.00 0.00 C ATOM 785 CG LYS B 11 36.997 -5.807 -6.642 1.00 0.00 C ATOM 786 CD LYS B 11 35.907 -6.873 -6.508 1.00 0.00 C ATOM 787 CE LYS B 11 35.474 -7.335 -7.901 1.00 0.00 C ATOM 788 NZ LYS B 11 34.609 -8.524 -7.656 1.00 0.00 N ATOM 0 H LYS B 11 35.982 -2.780 -4.398 1.00 0.00 H new ATOM 0 HA LYS B 11 36.013 -5.666 -4.093 1.00 0.00 H new ATOM 0 HB2 LYS B 11 35.559 -4.264 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS B 11 37.224 -3.717 -6.142 1.00 0.00 H new ATOM 0 HG2 LYS B 11 37.164 -5.572 -7.693 1.00 0.00 H new ATOM 0 HG3 LYS B 11 37.940 -6.183 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS B 11 36.280 -7.720 -5.932 1.00 0.00 H new ATOM 0 HD3 LYS B 11 35.053 -6.469 -5.965 1.00 0.00 H new ATOM 0 HE2 LYS B 11 34.929 -6.551 -8.426 1.00 0.00 H new ATOM 0 HE3 LYS B 11 36.335 -7.593 -8.518 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 34.035 -8.716 -8.502 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 35.205 -9.350 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 33.983 -8.337 -6.847 1.00 0.00 H new ATOM 802 N GLU B 12 38.882 -4.165 -3.787 1.00 0.00 N ATOM 803 CA GLU B 12 40.283 -4.418 -3.352 1.00 0.00 C ATOM 804 C GLU B 12 40.287 -4.931 -1.912 1.00 0.00 C ATOM 805 O GLU B 12 41.227 -5.560 -1.467 1.00 0.00 O ATOM 806 CB GLU B 12 40.975 -3.058 -3.437 1.00 0.00 C ATOM 807 CG GLU B 12 41.608 -2.890 -4.820 1.00 0.00 C ATOM 808 CD GLU B 12 42.479 -1.632 -4.832 1.00 0.00 C ATOM 809 OE1 GLU B 12 41.920 -0.548 -4.856 1.00 0.00 O ATOM 810 OE2 GLU B 12 43.691 -1.774 -4.818 1.00 0.00 O ATOM 0 H GLU B 12 38.647 -3.184 -3.940 1.00 0.00 H new ATOM 0 HA GLU B 12 40.785 -5.166 -3.966 1.00 0.00 H new ATOM 0 HB2 GLU B 12 40.255 -2.260 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU B 12 41.739 -2.979 -2.664 1.00 0.00 H new ATOM 0 HG2 GLU B 12 42.210 -3.765 -5.065 1.00 0.00 H new ATOM 0 HG3 GLU B 12 40.831 -2.815 -5.581 1.00 0.00 H new ATOM 817 N LEU B 13 39.239 -4.665 -1.181 1.00 0.00 N ATOM 818 CA LEU B 13 39.174 -5.133 0.228 1.00 0.00 C ATOM 819 C LEU B 13 38.821 -6.621 0.268 1.00 0.00 C ATOM 820 O LEU B 13 39.340 -7.370 1.070 1.00 0.00 O ATOM 821 CB LEU B 13 38.072 -4.290 0.866 1.00 0.00 C ATOM 822 CG LEU B 13 38.711 -3.132 1.633 1.00 0.00 C ATOM 823 CD1 LEU B 13 37.673 -2.036 1.865 1.00 0.00 C ATOM 824 CD2 LEU B 13 39.226 -3.636 2.980 1.00 0.00 C ATOM 0 H LEU B 13 38.424 -4.142 -1.502 1.00 0.00 H new ATOM 0 HA LEU B 13 40.122 -5.023 0.754 1.00 0.00 H new ATOM 0 HB2 LEU B 13 37.399 -3.907 0.099 1.00 0.00 H new ATOM 0 HB3 LEU B 13 37.472 -4.902 1.540 1.00 0.00 H new ATOM 0 HG LEU B 13 39.541 -2.729 1.053 1.00 0.00 H new ATOM 0 HD11 LEU B 13 38.130 -1.212 2.412 1.00 0.00 H new ATOM 0 HD12 LEU B 13 37.305 -1.675 0.905 1.00 0.00 H new ATOM 0 HD13 LEU B 13 36.842 -2.439 2.444 1.00 0.00 H new ATOM 0 HD21 LEU B 13 39.682 -2.811 3.527 1.00 0.00 H new ATOM 0 HD22 LEU B 13 38.396 -4.041 3.559 1.00 0.00 H new ATOM 0 HD23 LEU B 13 39.969 -4.417 2.817 1.00 0.00 H new ATOM 836 N TRP B 14 37.949 -7.060 -0.598 1.00 0.00 N ATOM 837 CA TRP B 14 37.586 -8.508 -0.603 1.00 0.00 C ATOM 838 C TRP B 14 38.793 -9.338 -1.018 1.00 0.00 C ATOM 839 O TRP B 14 39.129 -10.328 -0.398 1.00 0.00 O ATOM 840 CB TRP B 14 36.471 -8.643 -1.636 1.00 0.00 C ATOM 841 CG TRP B 14 35.182 -8.838 -0.921 1.00 0.00 C ATOM 842 CD1 TRP B 14 34.718 -10.012 -0.428 1.00 0.00 C ATOM 843 CD2 TRP B 14 34.195 -7.840 -0.598 1.00 0.00 C ATOM 844 NE1 TRP B 14 33.501 -9.789 0.183 1.00 0.00 N ATOM 845 CE2 TRP B 14 33.135 -8.465 0.105 1.00 0.00 C ATOM 846 CE3 TRP B 14 34.114 -6.454 -0.846 1.00 0.00 C ATOM 847 CZ2 TRP B 14 32.031 -7.735 0.548 1.00 0.00 C ATOM 848 CZ3 TRP B 14 33.007 -5.711 -0.404 1.00 0.00 C ATOM 849 CH2 TRP B 14 31.965 -6.347 0.295 1.00 0.00 C ATOM 0 H TRP B 14 37.476 -6.486 -1.296 1.00 0.00 H new ATOM 0 HA TRP B 14 37.269 -8.857 0.380 1.00 0.00 H new ATOM 0 HB2 TRP B 14 36.425 -7.752 -2.262 1.00 0.00 H new ATOM 0 HB3 TRP B 14 36.668 -9.487 -2.297 1.00 0.00 H new ATOM 0 HD1 TRP B 14 35.219 -10.966 -0.501 1.00 0.00 H new ATOM 0 HE1 TRP B 14 32.944 -10.514 0.635 1.00 0.00 H new ATOM 0 HE3 TRP B 14 34.911 -5.959 -1.381 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 31.232 -8.229 1.081 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 32.956 -4.650 -0.601 1.00 0.00 H new ATOM 0 HH2 TRP B 14 31.116 -5.775 0.638 1.00 0.00 H new ATOM 860 N LYS B 15 39.449 -8.935 -2.063 1.00 0.00 N ATOM 861 CA LYS B 15 40.640 -9.685 -2.532 1.00 0.00 C ATOM 862 C LYS B 15 41.909 -8.935 -2.120 1.00 0.00 C ATOM 863 O LYS B 15 42.686 -8.496 -2.944 1.00 0.00 O ATOM 864 CB LYS B 15 40.481 -9.727 -4.049 1.00 0.00 C ATOM 865 CG LYS B 15 41.666 -10.466 -4.673 1.00 0.00 C ATOM 866 CD LYS B 15 41.312 -11.945 -4.837 1.00 0.00 C ATOM 867 CE LYS B 15 41.730 -12.420 -6.230 1.00 0.00 C ATOM 868 NZ LYS B 15 40.629 -13.324 -6.669 1.00 0.00 N ATOM 0 H LYS B 15 39.210 -8.112 -2.617 1.00 0.00 H new ATOM 0 HA LYS B 15 40.721 -10.686 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS B 15 39.549 -10.227 -4.313 1.00 0.00 H new ATOM 0 HB3 LYS B 15 40.422 -8.714 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS B 15 41.912 -10.030 -5.641 1.00 0.00 H new ATOM 0 HG3 LYS B 15 42.548 -10.360 -4.042 1.00 0.00 H new ATOM 0 HD2 LYS B 15 41.816 -12.537 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS B 15 40.241 -12.091 -4.698 1.00 0.00 H new ATOM 0 HE2 LYS B 15 41.850 -11.581 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS B 15 42.685 -12.945 -6.199 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 40.840 -13.693 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 40.543 -14.116 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 39.734 -12.794 -6.695 1.00 0.00 H new ATOM 882 N GLY B 16 42.113 -8.780 -0.839 1.00 0.00 N ATOM 883 CA GLY B 16 43.318 -8.054 -0.349 1.00 0.00 C ATOM 884 C GLY B 16 43.473 -8.288 1.159 1.00 0.00 C ATOM 885 O GLY B 16 44.082 -9.254 1.575 1.00 0.00 O ATOM 0 H GLY B 16 41.492 -9.128 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY B 16 44.206 -8.403 -0.876 1.00 0.00 H new ATOM 0 HA3 GLY B 16 43.223 -6.988 -0.555 1.00 0.00 H new ATOM 889 N PRO B 17 42.916 -7.389 1.931 1.00 0.00 N ATOM 890 CA PRO B 17 42.996 -7.500 3.407 1.00 0.00 C ATOM 891 C PRO B 17 42.060 -8.599 3.927 1.00 0.00 C ATOM 892 O PRO B 17 42.448 -9.745 4.038 1.00 0.00 O ATOM 893 CB PRO B 17 42.573 -6.116 3.895 1.00 0.00 C ATOM 894 CG PRO B 17 41.734 -5.544 2.793 1.00 0.00 C ATOM 895 CD PRO B 17 42.171 -6.199 1.504 1.00 0.00 C ATOM 0 HA PRO B 17 43.988 -7.779 3.763 1.00 0.00 H new ATOM 0 HB2 PRO B 17 42.008 -6.183 4.825 1.00 0.00 H new ATOM 0 HB3 PRO B 17 43.441 -5.488 4.094 1.00 0.00 H new ATOM 0 HG2 PRO B 17 40.677 -5.732 2.979 1.00 0.00 H new ATOM 0 HG3 PRO B 17 41.861 -4.463 2.736 1.00 0.00 H new ATOM 0 HD2 PRO B 17 41.315 -6.468 0.885 1.00 0.00 H new ATOM 0 HD3 PRO B 17 42.796 -5.531 0.911 1.00 0.00 H new ATOM 903 N ARG B 18 40.836 -8.273 4.250 1.00 0.00 N ATOM 904 CA ARG B 18 39.904 -9.326 4.762 1.00 0.00 C ATOM 905 C ARG B 18 38.670 -9.419 3.866 1.00 0.00 C ATOM 906 O ARG B 18 38.433 -8.577 3.023 1.00 0.00 O ATOM 907 CB ARG B 18 39.489 -8.944 6.207 1.00 0.00 C ATOM 908 CG ARG B 18 39.878 -7.502 6.570 1.00 0.00 C ATOM 909 CD ARG B 18 38.979 -6.520 5.824 1.00 0.00 C ATOM 910 NE ARG B 18 39.820 -5.305 5.644 1.00 0.00 N ATOM 911 CZ ARG B 18 40.170 -4.595 6.682 1.00 0.00 C ATOM 912 NH1 ARG B 18 39.281 -4.272 7.581 1.00 0.00 N ATOM 913 NH2 ARG B 18 41.410 -4.212 6.822 1.00 0.00 N ATOM 0 H ARG B 18 40.443 -7.334 4.183 1.00 0.00 H new ATOM 0 HA ARG B 18 40.398 -10.297 4.759 1.00 0.00 H new ATOM 0 HB2 ARG B 18 38.411 -9.064 6.316 1.00 0.00 H new ATOM 0 HB3 ARG B 18 39.959 -9.632 6.910 1.00 0.00 H new ATOM 0 HG2 ARG B 18 39.784 -7.350 7.645 1.00 0.00 H new ATOM 0 HG3 ARG B 18 40.922 -7.321 6.312 1.00 0.00 H new ATOM 0 HD2 ARG B 18 38.658 -6.926 4.865 1.00 0.00 H new ATOM 0 HD3 ARG B 18 38.077 -6.297 6.393 1.00 0.00 H new ATOM 0 HE ARG B 18 40.123 -5.027 4.710 1.00 0.00 H new ATOM 0 HH11 ARG B 18 38.313 -4.574 7.473 1.00 0.00 H new ATOM 0 HH12 ARG B 18 39.554 -3.717 8.392 1.00 0.00 H new ATOM 0 HH21 ARG B 18 42.105 -4.467 6.120 1.00 0.00 H new ATOM 0 HH22 ARG B 18 41.684 -3.657 7.633 1.00 0.00 H new ATOM 927 N ARG B 19 37.890 -10.449 4.038 1.00 0.00 N ATOM 928 CA ARG B 19 36.673 -10.617 3.192 1.00 0.00 C ATOM 929 C ARG B 19 35.425 -10.787 4.064 1.00 0.00 C ATOM 930 O ARG B 19 34.347 -10.351 3.711 1.00 0.00 O ATOM 931 CB ARG B 19 36.940 -11.890 2.387 1.00 0.00 C ATOM 932 CG ARG B 19 35.723 -12.220 1.522 1.00 0.00 C ATOM 933 CD ARG B 19 35.056 -13.496 2.041 1.00 0.00 C ATOM 934 NE ARG B 19 34.889 -14.356 0.835 1.00 0.00 N ATOM 935 CZ ARG B 19 34.157 -15.435 0.898 1.00 0.00 C ATOM 936 NH1 ARG B 19 32.860 -15.338 1.009 1.00 0.00 N ATOM 937 NH2 ARG B 19 34.721 -16.610 0.847 1.00 0.00 N ATOM 0 H ARG B 19 38.042 -11.184 4.729 1.00 0.00 H new ATOM 0 HA ARG B 19 36.490 -9.751 2.556 1.00 0.00 H new ATOM 0 HB2 ARG B 19 37.820 -11.755 1.757 1.00 0.00 H new ATOM 0 HB3 ARG B 19 37.154 -12.719 3.061 1.00 0.00 H new ATOM 0 HG2 ARG B 19 35.014 -11.392 1.543 1.00 0.00 H new ATOM 0 HG3 ARG B 19 36.027 -12.353 0.484 1.00 0.00 H new ATOM 0 HD2 ARG B 19 35.673 -13.986 2.794 1.00 0.00 H new ATOM 0 HD3 ARG B 19 34.095 -13.278 2.508 1.00 0.00 H new ATOM 0 HE ARG B 19 35.347 -14.101 -0.040 1.00 0.00 H new ATOM 0 HH11 ARG B 19 32.419 -14.419 1.046 1.00 0.00 H new ATOM 0 HH12 ARG B 19 32.288 -16.181 1.058 1.00 0.00 H new ATOM 0 HH21 ARG B 19 35.734 -16.686 0.758 1.00 0.00 H new ATOM 0 HH22 ARG B 19 34.149 -17.453 0.896 1.00 0.00 H new ATOM 951 N GLY B 20 35.558 -11.423 5.195 1.00 0.00 N ATOM 952 CA GLY B 20 34.374 -11.624 6.079 1.00 0.00 C ATOM 953 C GLY B 20 33.994 -10.302 6.750 1.00 0.00 C ATOM 954 O GLY B 20 32.843 -9.913 6.767 1.00 0.00 O ATOM 0 H GLY B 20 36.433 -11.812 5.545 1.00 0.00 H new ATOM 0 HA2 GLY B 20 33.534 -12.000 5.496 1.00 0.00 H new ATOM 0 HA3 GLY B 20 34.598 -12.375 6.837 1.00 0.00 H new ATOM 958 N GLU B 21 34.948 -9.611 7.310 1.00 0.00 N ATOM 959 CA GLU B 21 34.635 -8.319 7.987 1.00 0.00 C ATOM 960 C GLU B 21 34.205 -7.265 6.962 1.00 0.00 C ATOM 961 O GLU B 21 33.361 -6.433 7.233 1.00 0.00 O ATOM 962 CB GLU B 21 35.937 -7.903 8.671 1.00 0.00 C ATOM 963 CG GLU B 21 35.701 -7.775 10.177 1.00 0.00 C ATOM 964 CD GLU B 21 35.501 -6.303 10.539 1.00 0.00 C ATOM 965 OE1 GLU B 21 34.820 -5.617 9.794 1.00 0.00 O ATOM 966 OE2 GLU B 21 36.031 -5.885 11.556 1.00 0.00 O ATOM 0 H GLU B 21 35.931 -9.884 7.329 1.00 0.00 H new ATOM 0 HA GLU B 21 33.814 -8.418 8.697 1.00 0.00 H new ATOM 0 HB2 GLU B 21 36.715 -8.640 8.475 1.00 0.00 H new ATOM 0 HB3 GLU B 21 36.287 -6.954 8.265 1.00 0.00 H new ATOM 0 HG2 GLU B 21 34.825 -8.354 10.469 1.00 0.00 H new ATOM 0 HG3 GLU B 21 36.550 -8.183 10.725 1.00 0.00 H new ATOM 973 N ILE B 22 34.775 -7.288 5.790 1.00 0.00 N ATOM 974 CA ILE B 22 34.391 -6.280 4.762 1.00 0.00 C ATOM 975 C ILE B 22 32.945 -6.528 4.308 1.00 0.00 C ATOM 976 O ILE B 22 32.134 -5.623 4.280 1.00 0.00 O ATOM 977 CB ILE B 22 35.423 -6.474 3.632 1.00 0.00 C ATOM 978 CG1 ILE B 22 36.603 -5.529 3.890 1.00 0.00 C ATOM 979 CG2 ILE B 22 34.817 -6.175 2.248 1.00 0.00 C ATOM 980 CD1 ILE B 22 36.181 -4.074 3.650 1.00 0.00 C ATOM 0 H ILE B 22 35.487 -7.958 5.500 1.00 0.00 H new ATOM 0 HA ILE B 22 34.407 -5.252 5.123 1.00 0.00 H new ATOM 0 HB ILE B 22 35.749 -7.514 3.630 1.00 0.00 H new ATOM 0 HG12 ILE B 22 36.956 -5.648 4.914 1.00 0.00 H new ATOM 0 HG13 ILE B 22 37.434 -5.787 3.234 1.00 0.00 H new ATOM 0 HG21 ILE B 22 35.575 -6.323 1.479 1.00 0.00 H new ATOM 0 HG22 ILE B 22 33.979 -6.847 2.065 1.00 0.00 H new ATOM 0 HG23 ILE B 22 34.468 -5.143 2.219 1.00 0.00 H new ATOM 0 HD11 ILE B 22 37.028 -3.414 3.837 1.00 0.00 H new ATOM 0 HD12 ILE B 22 35.850 -3.957 2.618 1.00 0.00 H new ATOM 0 HD13 ILE B 22 35.364 -3.816 4.324 1.00 0.00 H new ATOM 992 N GLU B 23 32.613 -7.739 3.959 1.00 0.00 N ATOM 993 CA GLU B 23 31.224 -8.022 3.523 1.00 0.00 C ATOM 994 C GLU B 23 30.256 -7.720 4.665 1.00 0.00 C ATOM 995 O GLU B 23 29.157 -7.249 4.444 1.00 0.00 O ATOM 996 CB GLU B 23 31.233 -9.502 3.138 1.00 0.00 C ATOM 997 CG GLU B 23 29.832 -9.942 2.735 1.00 0.00 C ATOM 998 CD GLU B 23 29.309 -10.972 3.738 1.00 0.00 C ATOM 999 OE1 GLU B 23 29.462 -10.742 4.926 1.00 0.00 O ATOM 1000 OE2 GLU B 23 28.765 -11.972 3.300 1.00 0.00 O ATOM 0 H GLU B 23 33.243 -8.541 3.958 1.00 0.00 H new ATOM 0 HA GLU B 23 30.896 -7.407 2.685 1.00 0.00 H new ATOM 0 HB2 GLU B 23 31.927 -9.668 2.314 1.00 0.00 H new ATOM 0 HB3 GLU B 23 31.585 -10.103 3.977 1.00 0.00 H new ATOM 0 HG2 GLU B 23 29.165 -9.081 2.702 1.00 0.00 H new ATOM 0 HG3 GLU B 23 29.849 -10.371 1.733 1.00 0.00 H new ATOM 1007 N GLU B 24 30.663 -7.935 5.888 1.00 0.00 N ATOM 1008 CA GLU B 24 29.758 -7.596 7.020 1.00 0.00 C ATOM 1009 C GLU B 24 29.492 -6.094 6.955 1.00 0.00 C ATOM 1010 O GLU B 24 28.407 -5.614 7.235 1.00 0.00 O ATOM 1011 CB GLU B 24 30.531 -7.962 8.288 1.00 0.00 C ATOM 1012 CG GLU B 24 29.632 -7.761 9.510 1.00 0.00 C ATOM 1013 CD GLU B 24 30.437 -8.018 10.784 1.00 0.00 C ATOM 1014 OE1 GLU B 24 31.257 -8.921 10.771 1.00 0.00 O ATOM 1015 OE2 GLU B 24 30.221 -7.308 11.752 1.00 0.00 O ATOM 0 H GLU B 24 31.569 -8.325 6.148 1.00 0.00 H new ATOM 0 HA GLU B 24 28.803 -8.121 6.994 1.00 0.00 H new ATOM 0 HB2 GLU B 24 30.866 -8.998 8.236 1.00 0.00 H new ATOM 0 HB3 GLU B 24 31.424 -7.342 8.374 1.00 0.00 H new ATOM 0 HG2 GLU B 24 29.233 -6.747 9.518 1.00 0.00 H new ATOM 0 HG3 GLU B 24 28.780 -8.439 9.463 1.00 0.00 H new ATOM 1022 N LEU B 25 30.488 -5.357 6.545 1.00 0.00 N ATOM 1023 CA LEU B 25 30.331 -3.886 6.405 1.00 0.00 C ATOM 1024 C LEU B 25 29.202 -3.601 5.419 1.00 0.00 C ATOM 1025 O LEU B 25 28.308 -2.831 5.693 1.00 0.00 O ATOM 1026 CB LEU B 25 31.665 -3.399 5.838 1.00 0.00 C ATOM 1027 CG LEU B 25 32.063 -2.085 6.510 1.00 0.00 C ATOM 1028 CD1 LEU B 25 30.994 -1.029 6.238 1.00 0.00 C ATOM 1029 CD2 LEU B 25 32.188 -2.299 8.016 1.00 0.00 C ATOM 0 H LEU B 25 31.410 -5.716 6.300 1.00 0.00 H new ATOM 0 HA LEU B 25 30.088 -3.392 7.346 1.00 0.00 H new ATOM 0 HB2 LEU B 25 32.437 -4.151 6.002 1.00 0.00 H new ATOM 0 HB3 LEU B 25 31.583 -3.257 4.760 1.00 0.00 H new ATOM 0 HG LEU B 25 33.019 -1.749 6.108 1.00 0.00 H new ATOM 0 HD11 LEU B 25 31.278 -0.092 6.717 1.00 0.00 H new ATOM 0 HD12 LEU B 25 30.901 -0.873 5.163 1.00 0.00 H new ATOM 0 HD13 LEU B 25 30.038 -1.367 6.639 1.00 0.00 H new ATOM 0 HD21 LEU B 25 32.472 -1.362 8.494 1.00 0.00 H new ATOM 0 HD22 LEU B 25 31.232 -2.636 8.416 1.00 0.00 H new ATOM 0 HD23 LEU B 25 32.950 -3.053 8.214 1.00 0.00 H new ATOM 1041 N HIS B 26 29.236 -4.231 4.273 1.00 0.00 N ATOM 1042 CA HIS B 26 28.160 -4.011 3.263 1.00 0.00 C ATOM 1043 C HIS B 26 26.788 -4.185 3.917 1.00 0.00 C ATOM 1044 O HIS B 26 25.895 -3.385 3.728 1.00 0.00 O ATOM 1045 CB HIS B 26 28.387 -5.079 2.195 1.00 0.00 C ATOM 1046 CG HIS B 26 27.288 -4.995 1.169 1.00 0.00 C ATOM 1047 ND1 HIS B 26 27.204 -3.962 0.248 1.00 0.00 N ATOM 1048 CD2 HIS B 26 26.217 -5.809 0.917 1.00 0.00 C ATOM 1049 CE1 HIS B 26 26.113 -4.185 -0.511 1.00 0.00 C ATOM 1050 NE2 HIS B 26 25.475 -5.298 -0.143 1.00 0.00 N ATOM 0 H HIS B 26 29.964 -4.889 3.994 1.00 0.00 H new ATOM 0 HA HIS B 26 28.188 -3.007 2.839 1.00 0.00 H new ATOM 0 HB2 HIS B 26 29.357 -4.934 1.719 1.00 0.00 H new ATOM 0 HB3 HIS B 26 28.400 -6.069 2.651 1.00 0.00 H new ATOM 0 HD1 HIS B 26 27.850 -3.177 0.161 1.00 0.00 H new ATOM 0 HD2 HIS B 26 25.983 -6.713 1.460 1.00 0.00 H new ATOM 0 HE1 HIS B 26 25.794 -3.542 -1.318 1.00 0.00 H new ATOM 1058 N LYS B 27 26.616 -5.219 4.700 1.00 0.00 N ATOM 1059 CA LYS B 27 25.301 -5.423 5.375 1.00 0.00 C ATOM 1060 C LYS B 27 24.916 -4.145 6.122 1.00 0.00 C ATOM 1061 O LYS B 27 23.792 -3.686 6.057 1.00 0.00 O ATOM 1062 CB LYS B 27 25.528 -6.576 6.354 1.00 0.00 C ATOM 1063 CG LYS B 27 24.391 -7.591 6.218 1.00 0.00 C ATOM 1064 CD LYS B 27 24.490 -8.289 4.860 1.00 0.00 C ATOM 1065 CE LYS B 27 25.390 -9.520 4.984 1.00 0.00 C ATOM 1066 NZ LYS B 27 24.496 -10.597 5.498 1.00 0.00 N ATOM 0 H LYS B 27 27.324 -5.926 4.900 1.00 0.00 H new ATOM 0 HA LYS B 27 24.496 -5.649 4.676 1.00 0.00 H new ATOM 0 HB2 LYS B 27 26.485 -7.056 6.151 1.00 0.00 H new ATOM 0 HB3 LYS B 27 25.572 -6.197 7.375 1.00 0.00 H new ATOM 0 HG2 LYS B 27 24.447 -8.326 7.021 1.00 0.00 H new ATOM 0 HG3 LYS B 27 23.428 -7.089 6.312 1.00 0.00 H new ATOM 0 HD2 LYS B 27 23.498 -8.583 4.517 1.00 0.00 H new ATOM 0 HD3 LYS B 27 24.894 -7.603 4.115 1.00 0.00 H new ATOM 0 HE2 LYS B 27 25.823 -9.792 4.021 1.00 0.00 H new ATOM 0 HE3 LYS B 27 26.220 -9.336 5.666 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 25.051 -11.264 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 23.747 -10.176 6.084 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 24.066 -11.103 4.697 1.00 0.00 H new ATOM 1080 N LYS B 28 25.852 -3.555 6.815 1.00 0.00 N ATOM 1081 CA LYS B 28 25.545 -2.294 7.543 1.00 0.00 C ATOM 1082 C LYS B 28 25.075 -1.234 6.542 1.00 0.00 C ATOM 1083 O LYS B 28 24.047 -0.614 6.719 1.00 0.00 O ATOM 1084 CB LYS B 28 26.864 -1.879 8.196 1.00 0.00 C ATOM 1085 CG LYS B 28 26.777 -2.101 9.708 1.00 0.00 C ATOM 1086 CD LYS B 28 27.336 -3.483 10.054 1.00 0.00 C ATOM 1087 CE LYS B 28 26.245 -4.323 10.721 1.00 0.00 C ATOM 1088 NZ LYS B 28 26.980 -5.393 11.453 1.00 0.00 N ATOM 0 H LYS B 28 26.811 -3.891 6.907 1.00 0.00 H new ATOM 0 HA LYS B 28 24.755 -2.414 8.285 1.00 0.00 H new ATOM 0 HB2 LYS B 28 27.687 -2.460 7.779 1.00 0.00 H new ATOM 0 HB3 LYS B 28 27.074 -0.831 7.983 1.00 0.00 H new ATOM 0 HG2 LYS B 28 27.339 -1.328 10.233 1.00 0.00 H new ATOM 0 HG3 LYS B 28 25.741 -2.023 10.039 1.00 0.00 H new ATOM 0 HD2 LYS B 28 27.691 -3.980 9.151 1.00 0.00 H new ATOM 0 HD3 LYS B 28 28.192 -3.384 10.721 1.00 0.00 H new ATOM 0 HE2 LYS B 28 25.643 -3.721 11.401 1.00 0.00 H new ATOM 0 HE3 LYS B 28 25.564 -4.746 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 26.300 -6.012 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 27.539 -5.954 10.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 27.615 -4.961 12.154 1.00 0.00 H new ATOM 1102 N PHE B 29 25.819 -1.036 5.483 1.00 0.00 N ATOM 1103 CA PHE B 29 25.426 -0.031 4.450 1.00 0.00 C ATOM 1104 C PHE B 29 23.967 -0.235 4.039 1.00 0.00 C ATOM 1105 O PHE B 29 23.246 0.712 3.795 1.00 0.00 O ATOM 1106 CB PHE B 29 26.364 -0.298 3.268 1.00 0.00 C ATOM 1107 CG PHE B 29 27.793 0.122 3.590 1.00 0.00 C ATOM 1108 CD1 PHE B 29 28.087 0.960 4.700 1.00 0.00 C ATOM 1109 CD2 PHE B 29 28.843 -0.324 2.755 1.00 0.00 C ATOM 1110 CE1 PHE B 29 29.419 1.343 4.964 1.00 0.00 C ATOM 1111 CE2 PHE B 29 30.175 0.061 3.025 1.00 0.00 C ATOM 1112 CZ PHE B 29 30.462 0.893 4.127 1.00 0.00 C ATOM 0 H PHE B 29 26.689 -1.532 5.289 1.00 0.00 H new ATOM 0 HA PHE B 29 25.508 0.993 4.814 1.00 0.00 H new ATOM 0 HB2 PHE B 29 26.342 -1.358 3.016 1.00 0.00 H new ATOM 0 HB3 PHE B 29 26.012 0.245 2.391 1.00 0.00 H new ATOM 0 HD1 PHE B 29 27.290 1.304 5.342 1.00 0.00 H new ATOM 0 HD2 PHE B 29 28.626 -0.960 1.909 1.00 0.00 H new ATOM 0 HE1 PHE B 29 29.640 1.981 5.807 1.00 0.00 H new ATOM 0 HE2 PHE B 29 30.975 -0.282 2.386 1.00 0.00 H new ATOM 0 HZ PHE B 29 31.481 1.186 4.330 1.00 0.00 H new ATOM 1122 N HIS B 30 23.520 -1.458 3.974 1.00 0.00 N ATOM 1123 CA HIS B 30 22.101 -1.702 3.596 1.00 0.00 C ATOM 1124 C HIS B 30 21.194 -1.095 4.665 1.00 0.00 C ATOM 1125 O HIS B 30 20.272 -0.361 4.369 1.00 0.00 O ATOM 1126 CB HIS B 30 21.957 -3.224 3.542 1.00 0.00 C ATOM 1127 CG HIS B 30 20.514 -3.587 3.319 1.00 0.00 C ATOM 1128 ND1 HIS B 30 19.407 -3.484 4.126 1.00 0.00 N flip ATOM 1129 CD2 HIS B 30 20.065 -4.136 2.129 1.00 0.00 C flip ATOM 1130 CE1 HIS B 30 18.288 -3.960 3.449 1.00 0.00 C flip ATOM 1131 NE2 HIS B 30 18.740 -4.340 2.251 1.00 0.00 N flip ATOM 0 H HIS B 30 24.072 -2.294 4.165 1.00 0.00 H new ATOM 0 HA HIS B 30 21.825 -1.252 2.642 1.00 0.00 H new ATOM 0 HB2 HIS B 30 22.573 -3.629 2.739 1.00 0.00 H new ATOM 0 HB3 HIS B 30 22.314 -3.666 4.472 1.00 0.00 H new ATOM 0 HD2 HIS B 30 20.668 -4.360 1.261 1.00 0.00 H new ATOM 0 HE1 HIS B 30 17.273 -4.011 3.814 1.00 0.00 H new ATOM 0 HE2 HIS B 30 18.153 -4.737 1.518 1.00 0.00 H new ATOM 1139 N GLU B 31 21.471 -1.368 5.911 1.00 0.00 N ATOM 1140 CA GLU B 31 20.647 -0.775 7.001 1.00 0.00 C ATOM 1141 C GLU B 31 21.098 0.673 7.258 1.00 0.00 C ATOM 1142 O GLU B 31 20.573 1.356 8.115 1.00 0.00 O ATOM 1143 CB GLU B 31 20.920 -1.648 8.226 1.00 0.00 C ATOM 1144 CG GLU B 31 19.693 -1.643 9.140 1.00 0.00 C ATOM 1145 CD GLU B 31 19.198 -3.077 9.336 1.00 0.00 C ATOM 1146 OE1 GLU B 31 18.815 -3.691 8.354 1.00 0.00 O ATOM 1147 OE2 GLU B 31 19.210 -3.537 10.466 1.00 0.00 O ATOM 0 H GLU B 31 22.230 -1.975 6.220 1.00 0.00 H new ATOM 0 HA GLU B 31 19.585 -0.746 6.756 1.00 0.00 H new ATOM 0 HB2 GLU B 31 21.151 -2.667 7.915 1.00 0.00 H new ATOM 0 HB3 GLU B 31 21.790 -1.274 8.766 1.00 0.00 H new ATOM 0 HG2 GLU B 31 19.945 -1.199 10.103 1.00 0.00 H new ATOM 0 HG3 GLU B 31 18.904 -1.031 8.704 1.00 0.00 H new ATOM 1154 N LEU B 32 22.070 1.141 6.514 1.00 0.00 N ATOM 1155 CA LEU B 32 22.571 2.532 6.691 1.00 0.00 C ATOM 1156 C LEU B 32 21.804 3.479 5.770 1.00 0.00 C ATOM 1157 O LEU B 32 21.582 4.630 6.087 1.00 0.00 O ATOM 1158 CB LEU B 32 24.038 2.454 6.252 1.00 0.00 C ATOM 1159 CG LEU B 32 24.865 3.577 6.888 1.00 0.00 C ATOM 1160 CD1 LEU B 32 26.333 3.386 6.504 1.00 0.00 C ATOM 1161 CD2 LEU B 32 24.396 4.938 6.372 1.00 0.00 C ATOM 0 H LEU B 32 22.541 0.608 5.783 1.00 0.00 H new ATOM 0 HA LEU B 32 22.452 2.901 7.710 1.00 0.00 H new ATOM 0 HB2 LEU B 32 24.454 1.487 6.534 1.00 0.00 H new ATOM 0 HB3 LEU B 32 24.100 2.523 5.166 1.00 0.00 H new ATOM 0 HG LEU B 32 24.742 3.542 7.971 1.00 0.00 H new ATOM 0 HD11 LEU B 32 26.932 4.179 6.951 1.00 0.00 H new ATOM 0 HD12 LEU B 32 26.681 2.419 6.868 1.00 0.00 H new ATOM 0 HD13 LEU B 32 26.433 3.423 5.419 1.00 0.00 H new ATOM 0 HD21 LEU B 32 24.992 5.726 6.832 1.00 0.00 H new ATOM 0 HD22 LEU B 32 24.515 4.977 5.289 1.00 0.00 H new ATOM 0 HD23 LEU B 32 23.346 5.081 6.627 1.00 0.00 H new ATOM 1173 N ILE B 33 21.427 3.011 4.610 1.00 0.00 N ATOM 1174 CA ILE B 33 20.711 3.903 3.651 1.00 0.00 C ATOM 1175 C ILE B 33 19.337 3.326 3.276 1.00 0.00 C ATOM 1176 O ILE B 33 18.596 3.915 2.514 1.00 0.00 O ATOM 1177 CB ILE B 33 21.634 3.974 2.424 1.00 0.00 C ATOM 1178 CG1 ILE B 33 21.650 2.615 1.711 1.00 0.00 C ATOM 1179 CG2 ILE B 33 23.058 4.342 2.872 1.00 0.00 C ATOM 1180 CD1 ILE B 33 22.526 2.689 0.462 1.00 0.00 C ATOM 0 H ILE B 33 21.582 2.056 4.286 1.00 0.00 H new ATOM 0 HA ILE B 33 20.513 4.887 4.076 1.00 0.00 H new ATOM 0 HB ILE B 33 21.265 4.735 1.737 1.00 0.00 H new ATOM 0 HG12 ILE B 33 22.028 1.846 2.385 1.00 0.00 H new ATOM 0 HG13 ILE B 33 20.635 2.327 1.437 1.00 0.00 H new ATOM 0 HG21 ILE B 33 23.712 4.392 2.001 1.00 0.00 H new ATOM 0 HG22 ILE B 33 23.043 5.311 3.371 1.00 0.00 H new ATOM 0 HG23 ILE B 33 23.430 3.584 3.562 1.00 0.00 H new ATOM 0 HD11 ILE B 33 22.531 1.720 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE B 33 22.129 3.444 -0.216 1.00 0.00 H new ATOM 0 HD13 ILE B 33 23.544 2.956 0.747 1.00 0.00 H new