USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 HIS : no HE2:sc= -14.8! C(o=-15!,f=-25!) USER MOD Set 1.2: B 30 HIS : no HE2:sc= -0.276 K(o=-15,f=-18) USER MOD Set 2.1: A 30 HIS : no HE2:sc= -0.327 K(o=-15,f=-18) USER MOD Set 2.2: B 26 HIS : no HE2:sc= -14.6! C(o=-15!,f=-25!) 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+ -178:sc= 0 (180deg=-0.000823) USER MOD Single : A 27 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0501) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 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 27 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0456) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.117 -11.109 10.769 1.00 0.00 N ATOM 2 CA GLY A 1 36.174 -9.800 10.058 1.00 0.00 C ATOM 3 C GLY A 1 34.759 -9.375 9.664 1.00 0.00 C ATOM 4 O GLY A 1 34.288 -8.321 10.045 1.00 0.00 O ATOM 0 H1 GLY A 1 37.079 -11.400 11.038 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.532 -11.015 11.624 1.00 0.00 H new ATOM 0 H3 GLY A 1 35.701 -11.827 10.142 1.00 0.00 H new ATOM 0 HA2 GLY A 1 36.627 -9.044 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 36.801 -9.883 9.170 1.00 0.00 H new ATOM 10 N GLU A 2 34.078 -10.188 8.904 1.00 0.00 N ATOM 11 CA GLU A 2 32.692 -9.836 8.483 1.00 0.00 C ATOM 12 C GLU A 2 32.670 -8.452 7.830 1.00 0.00 C ATOM 13 O GLU A 2 32.410 -7.460 8.481 1.00 0.00 O ATOM 14 CB GLU A 2 31.870 -9.836 9.773 1.00 0.00 C ATOM 15 CG GLU A 2 31.649 -11.278 10.236 1.00 0.00 C ATOM 16 CD GLU A 2 30.773 -11.281 11.490 1.00 0.00 C ATOM 17 OE1 GLU A 2 31.269 -10.894 12.536 1.00 0.00 O ATOM 18 OE2 GLU A 2 29.622 -11.670 11.384 1.00 0.00 O ATOM 0 H GLU A 2 34.422 -11.083 8.556 1.00 0.00 H new ATOM 0 HA GLU A 2 32.295 -10.537 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.388 -9.269 10.547 1.00 0.00 H new ATOM 0 HB3 GLU A 2 30.911 -9.345 9.606 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.172 -11.857 9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 2 32.606 -11.755 10.447 1.00 0.00 H new ATOM 25 N VAL A 3 32.945 -8.393 6.547 1.00 0.00 N ATOM 26 CA VAL A 3 32.951 -7.088 5.801 1.00 0.00 C ATOM 27 C VAL A 3 33.527 -5.951 6.655 1.00 0.00 C ATOM 28 O VAL A 3 33.085 -4.822 6.586 1.00 0.00 O ATOM 29 CB VAL A 3 31.485 -6.816 5.443 1.00 0.00 C ATOM 30 CG1 VAL A 3 30.670 -6.547 6.711 1.00 0.00 C ATOM 31 CG2 VAL A 3 31.410 -5.596 4.525 1.00 0.00 C ATOM 0 H VAL A 3 33.169 -9.207 5.975 1.00 0.00 H new ATOM 0 HA VAL A 3 33.583 -7.142 4.915 1.00 0.00 H new ATOM 0 HB VAL A 3 31.074 -7.690 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 3 29.631 -6.355 6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 3 30.721 -7.416 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 3 31.077 -5.678 7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 3 30.370 -5.398 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 3 31.828 -4.729 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.979 -5.790 3.615 1.00 0.00 H new ATOM 41 N GLU A 4 34.510 -6.244 7.458 1.00 0.00 N ATOM 42 CA GLU A 4 35.112 -5.184 8.316 1.00 0.00 C ATOM 43 C GLU A 4 36.061 -4.306 7.494 1.00 0.00 C ATOM 44 O GLU A 4 36.406 -3.211 7.889 1.00 0.00 O ATOM 45 CB GLU A 4 35.884 -5.941 9.394 1.00 0.00 C ATOM 46 CG GLU A 4 35.270 -5.643 10.763 1.00 0.00 C ATOM 47 CD GLU A 4 36.044 -6.398 11.845 1.00 0.00 C ATOM 48 OE1 GLU A 4 37.263 -6.361 11.808 1.00 0.00 O ATOM 49 OE2 GLU A 4 35.404 -7.001 12.691 1.00 0.00 O ATOM 0 H GLU A 4 34.924 -7.171 7.558 1.00 0.00 H new ATOM 0 HA GLU A 4 34.358 -4.521 8.741 1.00 0.00 H new ATOM 0 HB2 GLU A 4 35.853 -7.012 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 4 36.933 -5.645 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 4 35.299 -4.572 10.961 1.00 0.00 H new ATOM 0 HG3 GLU A 4 34.222 -5.941 10.776 1.00 0.00 H new ATOM 56 N GLU A 5 36.491 -4.779 6.355 1.00 0.00 N ATOM 57 CA GLU A 5 37.421 -3.970 5.515 1.00 0.00 C ATOM 58 C GLU A 5 36.642 -2.951 4.683 1.00 0.00 C ATOM 59 O GLU A 5 37.035 -1.811 4.557 1.00 0.00 O ATOM 60 CB GLU A 5 38.112 -4.982 4.606 1.00 0.00 C ATOM 61 CG GLU A 5 39.092 -5.822 5.427 1.00 0.00 C ATOM 62 CD GLU A 5 40.395 -5.044 5.619 1.00 0.00 C ATOM 63 OE1 GLU A 5 41.177 -4.997 4.684 1.00 0.00 O ATOM 64 OE2 GLU A 5 40.589 -4.509 6.699 1.00 0.00 O ATOM 0 H GLU A 5 36.239 -5.689 5.970 1.00 0.00 H new ATOM 0 HA GLU A 5 38.132 -3.406 6.118 1.00 0.00 H new ATOM 0 HB2 GLU A 5 37.371 -5.627 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 5 38.642 -4.465 3.806 1.00 0.00 H new ATOM 0 HG2 GLU A 5 38.656 -6.066 6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 5 39.291 -6.766 4.920 1.00 0.00 H new ATOM 71 N LEU A 6 35.540 -3.350 4.115 1.00 0.00 N ATOM 72 CA LEU A 6 34.738 -2.395 3.301 1.00 0.00 C ATOM 73 C LEU A 6 34.011 -1.433 4.250 1.00 0.00 C ATOM 74 O LEU A 6 33.826 -0.268 3.957 1.00 0.00 O ATOM 75 CB LEU A 6 33.786 -3.304 2.481 1.00 0.00 C ATOM 76 CG LEU A 6 32.349 -2.755 2.413 1.00 0.00 C ATOM 77 CD1 LEU A 6 32.323 -1.446 1.627 1.00 0.00 C ATOM 78 CD2 LEU A 6 31.458 -3.775 1.700 1.00 0.00 C ATOM 0 H LEU A 6 35.160 -4.294 4.178 1.00 0.00 H new ATOM 0 HA LEU A 6 35.317 -1.761 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 6 34.177 -3.413 1.469 1.00 0.00 H new ATOM 0 HB3 LEU A 6 33.769 -4.299 2.925 1.00 0.00 H new ATOM 0 HG LEU A 6 31.988 -2.576 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.302 -1.067 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 6 32.962 -0.713 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.686 -1.622 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 6 30.438 -3.394 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 6 31.834 -3.944 0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 6 31.466 -4.714 2.253 1.00 0.00 H new ATOM 90 N GLU A 7 33.623 -1.913 5.398 1.00 0.00 N ATOM 91 CA GLU A 7 32.929 -1.031 6.378 1.00 0.00 C ATOM 92 C GLU A 7 33.913 -0.011 6.954 1.00 0.00 C ATOM 93 O GLU A 7 33.654 1.182 6.981 1.00 0.00 O ATOM 94 CB GLU A 7 32.442 -1.973 7.478 1.00 0.00 C ATOM 95 CG GLU A 7 31.296 -1.312 8.246 1.00 0.00 C ATOM 96 CD GLU A 7 31.708 -1.113 9.706 1.00 0.00 C ATOM 97 OE1 GLU A 7 32.507 -0.227 9.959 1.00 0.00 O ATOM 98 OE2 GLU A 7 31.218 -1.851 10.545 1.00 0.00 O ATOM 0 H GLU A 7 33.756 -2.878 5.701 1.00 0.00 H new ATOM 0 HA GLU A 7 32.112 -0.471 5.924 1.00 0.00 H new ATOM 0 HB2 GLU A 7 32.107 -2.915 7.043 1.00 0.00 H new ATOM 0 HB3 GLU A 7 33.261 -2.209 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 7 31.047 -0.352 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.402 -1.932 8.191 1.00 0.00 H new ATOM 105 N LYS A 8 35.043 -0.473 7.418 1.00 0.00 N ATOM 106 CA LYS A 8 36.044 0.463 7.997 1.00 0.00 C ATOM 107 C LYS A 8 36.499 1.464 6.943 1.00 0.00 C ATOM 108 O LYS A 8 36.539 2.647 7.187 1.00 0.00 O ATOM 109 CB LYS A 8 37.207 -0.420 8.447 1.00 0.00 C ATOM 110 CG LYS A 8 36.902 -0.995 9.831 1.00 0.00 C ATOM 111 CD LYS A 8 38.093 -0.745 10.757 1.00 0.00 C ATOM 112 CE LYS A 8 37.591 -0.520 12.185 1.00 0.00 C ATOM 113 NZ LYS A 8 38.564 0.435 12.786 1.00 0.00 N ATOM 0 H LYS A 8 35.314 -1.456 7.420 1.00 0.00 H new ATOM 0 HA LYS A 8 35.636 1.042 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 8 37.363 -1.228 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 8 38.129 0.161 8.477 1.00 0.00 H new ATOM 0 HG2 LYS A 8 36.005 -0.531 10.240 1.00 0.00 H new ATOM 0 HG3 LYS A 8 36.702 -2.064 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 8 38.774 -1.596 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 8 38.656 0.124 10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 8 36.581 -0.110 12.189 1.00 0.00 H new ATOM 0 HE3 LYS A 8 37.558 -1.455 12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 38.288 0.640 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 39.515 0.015 12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 38.569 1.318 12.236 1.00 0.00 H new ATOM 127 N LYS A 9 36.825 1.006 5.771 1.00 0.00 N ATOM 128 CA LYS A 9 37.255 1.950 4.704 1.00 0.00 C ATOM 129 C LYS A 9 36.118 2.926 4.415 1.00 0.00 C ATOM 130 O LYS A 9 36.328 4.032 3.958 1.00 0.00 O ATOM 131 CB LYS A 9 37.538 1.070 3.488 1.00 0.00 C ATOM 132 CG LYS A 9 38.923 0.436 3.627 1.00 0.00 C ATOM 133 CD LYS A 9 39.978 1.385 3.056 1.00 0.00 C ATOM 134 CE LYS A 9 41.033 1.678 4.125 1.00 0.00 C ATOM 135 NZ LYS A 9 42.337 1.400 3.461 1.00 0.00 N ATOM 0 H LYS A 9 36.813 0.022 5.504 1.00 0.00 H new ATOM 0 HA LYS A 9 38.130 2.538 4.981 1.00 0.00 H new ATOM 0 HB2 LYS A 9 36.778 0.293 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 9 37.489 1.665 2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 9 39.136 0.227 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 9 38.953 -0.518 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 9 40.447 0.939 2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 9 39.509 2.313 2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 9 40.975 2.712 4.465 1.00 0.00 H new ATOM 0 HE3 LYS A 9 40.893 1.046 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 43.113 1.578 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 42.366 0.407 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 42.445 2.021 2.634 1.00 0.00 H new ATOM 149 N PHE A 10 34.909 2.515 4.681 1.00 0.00 N ATOM 150 CA PHE A 10 33.743 3.401 4.429 1.00 0.00 C ATOM 151 C PHE A 10 33.800 4.649 5.315 1.00 0.00 C ATOM 152 O PHE A 10 33.949 5.757 4.835 1.00 0.00 O ATOM 153 CB PHE A 10 32.527 2.545 4.797 1.00 0.00 C ATOM 154 CG PHE A 10 31.342 2.949 3.959 1.00 0.00 C ATOM 155 CD1 PHE A 10 31.295 2.602 2.592 1.00 0.00 C ATOM 156 CD2 PHE A 10 30.275 3.665 4.546 1.00 0.00 C ATOM 157 CE1 PHE A 10 30.180 2.973 1.809 1.00 0.00 C ATOM 158 CE2 PHE A 10 29.161 4.037 3.763 1.00 0.00 C ATOM 159 CZ PHE A 10 29.114 3.690 2.395 1.00 0.00 C ATOM 0 H PHE A 10 34.680 1.598 5.064 1.00 0.00 H new ATOM 0 HA PHE A 10 33.714 3.756 3.399 1.00 0.00 H new ATOM 0 HB2 PHE A 10 32.753 1.490 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 10 32.293 2.666 5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 10 32.111 2.053 2.145 1.00 0.00 H new ATOM 0 HD2 PHE A 10 30.312 3.928 5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 10 30.143 2.709 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 10 28.346 4.586 4.210 1.00 0.00 H new ATOM 0 HZ PHE A 10 28.261 3.973 1.796 1.00 0.00 H new ATOM 169 N LYS A 11 33.669 4.486 6.602 1.00 0.00 N ATOM 170 CA LYS A 11 33.690 5.678 7.502 1.00 0.00 C ATOM 171 C LYS A 11 35.056 6.369 7.479 1.00 0.00 C ATOM 172 O LYS A 11 35.166 7.558 7.714 1.00 0.00 O ATOM 173 CB LYS A 11 33.395 5.120 8.888 1.00 0.00 C ATOM 174 CG LYS A 11 33.329 6.268 9.897 1.00 0.00 C ATOM 175 CD LYS A 11 32.135 7.165 9.566 1.00 0.00 C ATOM 176 CE LYS A 11 31.631 7.836 10.845 1.00 0.00 C ATOM 177 NZ LYS A 11 30.317 7.190 11.122 1.00 0.00 N ATOM 0 H LYS A 11 33.549 3.587 7.069 1.00 0.00 H new ATOM 0 HA LYS A 11 32.966 6.432 7.193 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.451 4.575 8.879 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.170 4.411 9.178 1.00 0.00 H new ATOM 0 HG2 LYS A 11 33.232 5.873 10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.252 6.847 9.868 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.426 7.921 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.338 6.575 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.327 7.687 11.671 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.522 8.912 10.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.905 7.597 11.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.674 7.354 10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.454 6.167 11.252 1.00 0.00 H new ATOM 191 N GLU A 12 36.094 5.639 7.202 1.00 0.00 N ATOM 192 CA GLU A 12 37.451 6.253 7.170 1.00 0.00 C ATOM 193 C GLU A 12 37.631 7.064 5.891 1.00 0.00 C ATOM 194 O GLU A 12 38.431 7.978 5.833 1.00 0.00 O ATOM 195 CB GLU A 12 38.425 5.076 7.195 1.00 0.00 C ATOM 196 CG GLU A 12 38.836 4.786 8.639 1.00 0.00 C ATOM 197 CD GLU A 12 37.614 4.315 9.431 1.00 0.00 C ATOM 198 OE1 GLU A 12 36.862 5.164 9.881 1.00 0.00 O ATOM 199 OE2 GLU A 12 37.451 3.115 9.573 1.00 0.00 O ATOM 0 H GLU A 12 36.065 4.641 6.995 1.00 0.00 H new ATOM 0 HA GLU A 12 37.613 6.933 8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 12 37.959 4.195 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 12 39.305 5.305 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 12 39.614 4.022 8.661 1.00 0.00 H new ATOM 0 HG3 GLU A 12 39.256 5.682 9.096 1.00 0.00 H new ATOM 206 N LEU A 13 36.898 6.743 4.862 1.00 0.00 N ATOM 207 CA LEU A 13 37.042 7.507 3.596 1.00 0.00 C ATOM 208 C LEU A 13 36.254 8.817 3.685 1.00 0.00 C ATOM 209 O LEU A 13 36.685 9.842 3.195 1.00 0.00 O ATOM 210 CB LEU A 13 36.488 6.586 2.511 1.00 0.00 C ATOM 211 CG LEU A 13 37.646 5.809 1.877 1.00 0.00 C ATOM 212 CD1 LEU A 13 37.092 4.678 1.010 1.00 0.00 C ATOM 213 CD2 LEU A 13 38.486 6.753 1.012 1.00 0.00 C ATOM 0 H LEU A 13 36.210 5.990 4.844 1.00 0.00 H new ATOM 0 HA LEU A 13 38.075 7.785 3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 13 35.761 5.896 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 13 35.966 7.169 1.752 1.00 0.00 H new ATOM 0 HG LEU A 13 38.271 5.388 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 13 37.918 4.127 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 13 36.499 4.003 1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 13 36.464 5.097 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 13 39.309 6.198 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 13 37.862 7.178 0.226 1.00 0.00 H new ATOM 0 HD23 LEU A 13 38.885 7.556 1.632 1.00 0.00 H new ATOM 225 N TRP A 14 35.113 8.803 4.325 1.00 0.00 N ATOM 226 CA TRP A 14 34.327 10.066 4.454 1.00 0.00 C ATOM 227 C TRP A 14 35.087 11.049 5.341 1.00 0.00 C ATOM 228 O TRP A 14 35.210 12.218 5.035 1.00 0.00 O ATOM 229 CB TRP A 14 33.015 9.669 5.128 1.00 0.00 C ATOM 230 CG TRP A 14 31.909 9.727 4.130 1.00 0.00 C ATOM 231 CD1 TRP A 14 31.290 10.855 3.702 1.00 0.00 C ATOM 232 CD2 TRP A 14 31.286 8.627 3.426 1.00 0.00 C ATOM 233 NE1 TRP A 14 30.323 10.512 2.776 1.00 0.00 N ATOM 234 CE2 TRP A 14 30.279 9.151 2.568 1.00 0.00 C ATOM 235 CE3 TRP A 14 31.494 7.228 3.447 1.00 0.00 C ATOM 236 CZ2 TRP A 14 29.503 8.315 1.753 1.00 0.00 C ATOM 237 CZ3 TRP A 14 30.717 6.379 2.628 1.00 0.00 C ATOM 238 CH2 TRP A 14 29.722 6.922 1.781 1.00 0.00 C ATOM 0 H TRP A 14 34.695 7.980 4.760 1.00 0.00 H new ATOM 0 HA TRP A 14 34.156 10.542 3.489 1.00 0.00 H new ATOM 0 HB2 TRP A 14 33.095 8.663 5.541 1.00 0.00 H new ATOM 0 HB3 TRP A 14 32.804 10.340 5.961 1.00 0.00 H new ATOM 0 HD1 TRP A 14 31.516 11.858 4.031 1.00 0.00 H new ATOM 0 HE1 TRP A 14 29.717 11.184 2.305 1.00 0.00 H new ATOM 0 HE3 TRP A 14 32.251 6.807 4.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 28.744 8.734 1.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 30.883 5.312 2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 14 29.130 6.270 1.156 1.00 0.00 H new ATOM 249 N LYS A 15 35.596 10.575 6.443 1.00 0.00 N ATOM 250 CA LYS A 15 36.349 11.467 7.363 1.00 0.00 C ATOM 251 C LYS A 15 37.847 11.166 7.262 1.00 0.00 C ATOM 252 O LYS A 15 38.401 10.427 8.050 1.00 0.00 O ATOM 253 CB LYS A 15 35.805 11.126 8.748 1.00 0.00 C ATOM 254 CG LYS A 15 36.608 11.874 9.815 1.00 0.00 C ATOM 255 CD LYS A 15 36.366 13.378 9.676 1.00 0.00 C ATOM 256 CE LYS A 15 36.266 14.009 11.067 1.00 0.00 C ATOM 257 NZ LYS A 15 34.860 13.765 11.496 1.00 0.00 N ATOM 0 H LYS A 15 35.522 9.604 6.746 1.00 0.00 H new ATOM 0 HA LYS A 15 36.229 12.526 7.132 1.00 0.00 H new ATOM 0 HB2 LYS A 15 34.752 11.399 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 15 35.867 10.051 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 15 36.313 11.538 10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 15 37.670 11.654 9.706 1.00 0.00 H new ATOM 0 HD2 LYS A 15 37.179 13.838 9.114 1.00 0.00 H new ATOM 0 HD3 LYS A 15 35.449 13.559 9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 15 36.975 13.555 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 15 36.490 15.075 11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 34.701 14.198 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 34.208 14.185 10.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 34.688 12.741 11.556 1.00 0.00 H new ATOM 271 N GLY A 16 38.498 11.730 6.282 1.00 0.00 N ATOM 272 CA GLY A 16 39.955 11.482 6.099 1.00 0.00 C ATOM 273 C GLY A 16 40.352 11.915 4.683 1.00 0.00 C ATOM 274 O GLY A 16 40.689 13.061 4.458 1.00 0.00 O ATOM 0 H GLY A 16 38.079 12.357 5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 16 40.529 12.039 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 16 40.181 10.426 6.249 1.00 0.00 H new ATOM 278 N PRO A 17 40.285 10.981 3.769 1.00 0.00 N ATOM 279 CA PRO A 17 40.627 11.274 2.359 1.00 0.00 C ATOM 280 C PRO A 17 39.455 12.008 1.695 1.00 0.00 C ATOM 281 O PRO A 17 38.634 12.603 2.365 1.00 0.00 O ATOM 282 CB PRO A 17 40.830 9.890 1.747 1.00 0.00 C ATOM 283 CG PRO A 17 40.018 8.960 2.595 1.00 0.00 C ATOM 284 CD PRO A 17 39.892 9.581 3.965 1.00 0.00 C ATOM 0 HA PRO A 17 41.504 11.910 2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 17 40.498 9.866 0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 17 41.883 9.608 1.752 1.00 0.00 H new ATOM 0 HG2 PRO A 17 39.034 8.802 2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 17 40.498 7.984 2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 17 38.873 9.504 4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 17 40.539 9.084 4.688 1.00 0.00 H new ATOM 292 N ARG A 18 39.360 11.971 0.391 1.00 0.00 N ATOM 293 CA ARG A 18 38.229 12.665 -0.294 1.00 0.00 C ATOM 294 C ARG A 18 36.893 12.278 0.360 1.00 0.00 C ATOM 295 O ARG A 18 36.844 11.444 1.243 1.00 0.00 O ATOM 296 CB ARG A 18 38.299 12.195 -1.763 1.00 0.00 C ATOM 297 CG ARG A 18 37.649 10.809 -1.940 1.00 0.00 C ATOM 298 CD ARG A 18 38.472 9.743 -1.210 1.00 0.00 C ATOM 299 NE ARG A 18 39.848 9.834 -1.790 1.00 0.00 N ATOM 300 CZ ARG A 18 40.039 9.661 -3.074 1.00 0.00 C ATOM 301 NH1 ARG A 18 39.183 8.970 -3.777 1.00 0.00 N ATOM 302 NH2 ARG A 18 41.088 10.180 -3.651 1.00 0.00 N ATOM 0 H ARG A 18 40.014 11.492 -0.227 1.00 0.00 H new ATOM 0 HA ARG A 18 38.300 13.750 -0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 18 37.795 12.919 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 18 39.340 12.155 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 18 36.631 10.824 -1.550 1.00 0.00 H new ATOM 0 HG3 ARG A 18 37.581 10.564 -3.000 1.00 0.00 H new ATOM 0 HD2 ARG A 18 38.486 9.926 -0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 18 38.048 8.750 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 18 40.642 10.032 -1.182 1.00 0.00 H new ATOM 0 HH11 ARG A 18 38.363 8.563 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 18 39.334 8.837 -4.777 1.00 0.00 H new ATOM 0 HH21 ARG A 18 41.757 10.719 -3.102 1.00 0.00 H new ATOM 0 HH22 ARG A 18 41.239 10.046 -4.651 1.00 0.00 H new ATOM 316 N ARG A 19 35.813 12.866 -0.070 1.00 0.00 N ATOM 317 CA ARG A 19 34.497 12.514 0.531 1.00 0.00 C ATOM 318 C ARG A 19 33.410 12.476 -0.547 1.00 0.00 C ATOM 319 O ARG A 19 32.603 11.570 -0.594 1.00 0.00 O ATOM 320 CB ARG A 19 34.212 13.624 1.542 1.00 0.00 C ATOM 321 CG ARG A 19 32.924 13.303 2.302 1.00 0.00 C ATOM 322 CD ARG A 19 32.337 14.593 2.878 1.00 0.00 C ATOM 323 NE ARG A 19 31.414 15.096 1.822 1.00 0.00 N ATOM 324 CZ ARG A 19 30.853 16.267 1.949 1.00 0.00 C ATOM 325 NH1 ARG A 19 30.169 16.551 3.024 1.00 0.00 N ATOM 326 NH2 ARG A 19 30.975 17.155 1.001 1.00 0.00 N ATOM 0 H ARG A 19 35.783 13.571 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 19 34.510 11.530 0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 19 35.045 13.718 2.239 1.00 0.00 H new ATOM 0 HB3 ARG A 19 34.116 14.581 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 19 32.204 12.829 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 19 33.129 12.594 3.104 1.00 0.00 H new ATOM 0 HD2 ARG A 19 31.805 14.404 3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 19 33.119 15.319 3.099 1.00 0.00 H new ATOM 0 HE ARG A 19 31.221 14.525 0.999 1.00 0.00 H new ATOM 0 HH11 ARG A 19 30.073 15.857 3.765 1.00 0.00 H new ATOM 0 HH12 ARG A 19 29.731 17.467 3.123 1.00 0.00 H new ATOM 0 HH21 ARG A 19 31.509 16.934 0.161 1.00 0.00 H new ATOM 0 HH22 ARG A 19 30.536 18.071 1.100 1.00 0.00 H new ATOM 340 N GLY A 20 33.381 13.452 -1.412 1.00 0.00 N ATOM 341 CA GLY A 20 32.343 13.466 -2.481 1.00 0.00 C ATOM 342 C GLY A 20 32.510 12.234 -3.373 1.00 0.00 C ATOM 343 O GLY A 20 31.556 11.719 -3.922 1.00 0.00 O ATOM 0 H GLY A 20 34.030 14.239 -1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 20 31.348 13.473 -2.036 1.00 0.00 H new ATOM 0 HA3 GLY A 20 32.432 14.374 -3.077 1.00 0.00 H new ATOM 347 N GLU A 21 33.715 11.755 -3.521 1.00 0.00 N ATOM 348 CA GLU A 21 33.940 10.555 -4.377 1.00 0.00 C ATOM 349 C GLU A 21 33.479 9.291 -3.645 1.00 0.00 C ATOM 350 O GLU A 21 33.041 8.335 -4.253 1.00 0.00 O ATOM 351 CB GLU A 21 35.449 10.518 -4.617 1.00 0.00 C ATOM 352 CG GLU A 21 35.760 11.113 -5.991 1.00 0.00 C ATOM 353 CD GLU A 21 36.943 10.369 -6.613 1.00 0.00 C ATOM 354 OE1 GLU A 21 36.991 9.157 -6.480 1.00 0.00 O ATOM 355 OE2 GLU A 21 37.780 11.023 -7.213 1.00 0.00 O ATOM 0 H GLU A 21 34.553 12.142 -3.087 1.00 0.00 H new ATOM 0 HA GLU A 21 33.381 10.602 -5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 35.966 11.081 -3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 21 35.812 9.492 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 21 34.887 11.036 -6.639 1.00 0.00 H new ATOM 0 HG3 GLU A 21 35.993 12.173 -5.896 1.00 0.00 H new ATOM 362 N ILE A 22 33.568 9.284 -2.344 1.00 0.00 N ATOM 363 CA ILE A 22 33.129 8.086 -1.572 1.00 0.00 C ATOM 364 C ILE A 22 31.608 7.972 -1.623 1.00 0.00 C ATOM 365 O ILE A 22 31.063 6.974 -2.050 1.00 0.00 O ATOM 366 CB ILE A 22 33.603 8.341 -0.143 1.00 0.00 C ATOM 367 CG1 ILE A 22 35.116 8.552 -0.144 1.00 0.00 C ATOM 368 CG2 ILE A 22 33.250 7.139 0.735 1.00 0.00 C ATOM 369 CD1 ILE A 22 35.812 7.290 -0.661 1.00 0.00 C ATOM 0 H ILE A 22 33.926 10.056 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 22 33.536 7.157 -1.971 1.00 0.00 H new ATOM 0 HB ILE A 22 33.113 9.230 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 22 35.374 9.405 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 22 35.462 8.783 0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 22 33.589 7.321 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 22 32.170 6.991 0.732 1.00 0.00 H new ATOM 0 HG23 ILE A 22 33.740 6.247 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 22 36.891 7.444 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 22 35.565 6.448 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 22 35.476 7.079 -1.676 1.00 0.00 H new ATOM 381 N GLU A 23 30.917 8.993 -1.202 1.00 0.00 N ATOM 382 CA GLU A 23 29.436 8.949 -1.243 1.00 0.00 C ATOM 383 C GLU A 23 28.982 8.736 -2.690 1.00 0.00 C ATOM 384 O GLU A 23 27.987 8.085 -2.956 1.00 0.00 O ATOM 385 CB GLU A 23 29.005 10.310 -0.690 1.00 0.00 C ATOM 386 CG GLU A 23 27.484 10.388 -0.625 1.00 0.00 C ATOM 387 CD GLU A 23 26.983 11.449 -1.607 1.00 0.00 C ATOM 388 OE1 GLU A 23 27.079 11.216 -2.801 1.00 0.00 O ATOM 389 OE2 GLU A 23 26.512 12.476 -1.148 1.00 0.00 O ATOM 0 H GLU A 23 31.317 9.855 -0.832 1.00 0.00 H new ATOM 0 HA GLU A 23 28.997 8.137 -0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 23 29.428 10.459 0.304 1.00 0.00 H new ATOM 0 HB3 GLU A 23 29.392 11.108 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 23 27.049 9.419 -0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 23 27.165 10.635 0.388 1.00 0.00 H new ATOM 396 N GLU A 24 29.729 9.242 -3.633 1.00 0.00 N ATOM 397 CA GLU A 24 29.357 9.024 -5.056 1.00 0.00 C ATOM 398 C GLU A 24 29.407 7.524 -5.339 1.00 0.00 C ATOM 399 O GLU A 24 28.579 6.976 -6.042 1.00 0.00 O ATOM 400 CB GLU A 24 30.416 9.766 -5.870 1.00 0.00 C ATOM 401 CG GLU A 24 30.137 9.577 -7.362 1.00 0.00 C ATOM 402 CD GLU A 24 30.667 10.785 -8.138 1.00 0.00 C ATOM 403 OE1 GLU A 24 31.829 11.114 -7.960 1.00 0.00 O ATOM 404 OE2 GLU A 24 29.903 11.360 -8.895 1.00 0.00 O ATOM 0 H GLU A 24 30.574 9.792 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 24 28.357 9.382 -5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 24 30.406 10.827 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 24 31.409 9.389 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.614 8.664 -7.719 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.066 9.464 -7.531 1.00 0.00 H new ATOM 411 N LEU A 25 30.371 6.856 -4.767 1.00 0.00 N ATOM 412 CA LEU A 25 30.485 5.385 -4.963 1.00 0.00 C ATOM 413 C LEU A 25 29.352 4.684 -4.213 1.00 0.00 C ATOM 414 O LEU A 25 28.961 3.587 -4.549 1.00 0.00 O ATOM 415 CB LEU A 25 31.839 4.995 -4.363 1.00 0.00 C ATOM 416 CG LEU A 25 32.696 4.272 -5.413 1.00 0.00 C ATOM 417 CD1 LEU A 25 33.935 3.687 -4.732 1.00 0.00 C ATOM 418 CD2 LEU A 25 31.896 3.136 -6.060 1.00 0.00 C ATOM 0 H LEU A 25 31.087 7.269 -4.170 1.00 0.00 H new ATOM 0 HA LEU A 25 30.416 5.100 -6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 25 32.359 5.886 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 25 31.689 4.349 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 25 32.991 4.984 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 25 34.548 3.172 -5.472 1.00 0.00 H new ATOM 0 HD12 LEU A 25 34.514 4.491 -4.277 1.00 0.00 H new ATOM 0 HD13 LEU A 25 33.627 2.981 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 25 32.515 2.632 -6.802 1.00 0.00 H new ATOM 0 HD22 LEU A 25 31.594 2.422 -5.294 1.00 0.00 H new ATOM 0 HD23 LEU A 25 31.010 3.545 -6.545 1.00 0.00 H new ATOM 430 N HIS A 26 28.816 5.318 -3.203 1.00 0.00 N ATOM 431 CA HIS A 26 27.697 4.693 -2.444 1.00 0.00 C ATOM 432 C HIS A 26 26.449 4.684 -3.326 1.00 0.00 C ATOM 433 O HIS A 26 25.613 3.809 -3.230 1.00 0.00 O ATOM 434 CB HIS A 26 27.503 5.566 -1.203 1.00 0.00 C ATOM 435 CG HIS A 26 26.256 5.139 -0.481 1.00 0.00 C ATOM 436 ND1 HIS A 26 26.184 3.963 0.248 1.00 0.00 N ATOM 437 CD2 HIS A 26 25.021 5.719 -0.382 1.00 0.00 C ATOM 438 CE1 HIS A 26 24.938 3.875 0.749 1.00 0.00 C ATOM 439 NE2 HIS A 26 24.187 4.921 0.395 1.00 0.00 N ATOM 0 H HIS A 26 29.105 6.239 -2.873 1.00 0.00 H new ATOM 0 HA HIS A 26 27.898 3.661 -2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 26 28.366 5.477 -0.544 1.00 0.00 H new ATOM 0 HB3 HIS A 26 27.429 6.615 -1.491 1.00 0.00 H new ATOM 0 HD1 HIS A 26 26.937 3.288 0.381 1.00 0.00 H new ATOM 0 HD2 HIS A 26 24.736 6.655 -0.838 1.00 0.00 H new ATOM 0 HE1 HIS A 26 24.588 3.058 1.363 1.00 0.00 H new ATOM 447 N LYS A 27 26.329 5.638 -4.207 1.00 0.00 N ATOM 448 CA LYS A 27 25.149 5.647 -5.114 1.00 0.00 C ATOM 449 C LYS A 27 25.342 4.551 -6.165 1.00 0.00 C ATOM 450 O LYS A 27 24.482 3.716 -6.378 1.00 0.00 O ATOM 451 CB LYS A 27 25.142 7.032 -5.762 1.00 0.00 C ATOM 452 CG LYS A 27 23.939 7.829 -5.252 1.00 0.00 C ATOM 453 CD LYS A 27 24.037 7.986 -3.734 1.00 0.00 C ATOM 454 CE LYS A 27 24.404 9.432 -3.393 1.00 0.00 C ATOM 455 NZ LYS A 27 23.132 10.195 -3.542 1.00 0.00 N ATOM 0 H LYS A 27 26.990 6.404 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 27 24.208 5.458 -4.598 1.00 0.00 H new ATOM 0 HB2 LYS A 27 26.067 7.559 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 27 25.095 6.937 -6.847 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.910 8.809 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 27 23.013 7.319 -5.516 1.00 0.00 H new ATOM 0 HD2 LYS A 27 23.088 7.721 -3.268 1.00 0.00 H new ATOM 0 HD3 LYS A 27 24.789 7.305 -3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 27 24.796 9.512 -2.379 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.174 9.813 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 23.301 11.041 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 22.419 9.595 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 22.787 10.482 -2.604 1.00 0.00 H new ATOM 469 N LYS A 28 26.484 4.530 -6.803 1.00 0.00 N ATOM 470 CA LYS A 28 26.748 3.469 -7.814 1.00 0.00 C ATOM 471 C LYS A 28 26.628 2.101 -7.140 1.00 0.00 C ATOM 472 O LYS A 28 26.296 1.113 -7.763 1.00 0.00 O ATOM 473 CB LYS A 28 28.180 3.714 -8.290 1.00 0.00 C ATOM 474 CG LYS A 28 28.179 3.980 -9.796 1.00 0.00 C ATOM 475 CD LYS A 28 28.323 5.482 -10.047 1.00 0.00 C ATOM 476 CE LYS A 28 29.781 5.897 -9.841 1.00 0.00 C ATOM 477 NZ LYS A 28 29.902 7.219 -10.518 1.00 0.00 N ATOM 0 H LYS A 28 27.241 5.200 -6.667 1.00 0.00 H new ATOM 0 HA LYS A 28 26.046 3.491 -8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 28 28.610 4.564 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS A 28 28.803 2.849 -8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 28 28.998 3.440 -10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 28 27.254 3.613 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 28 28.005 5.724 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 28 27.676 6.038 -9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 28 30.025 5.972 -8.781 1.00 0.00 H new ATOM 0 HE3 LYS A 28 30.465 5.167 -10.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 30.876 7.571 -10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 29.671 7.115 -11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 29.244 7.895 -10.080 1.00 0.00 H new ATOM 491 N PHE A 29 26.879 2.051 -5.859 1.00 0.00 N ATOM 492 CA PHE A 29 26.763 0.768 -5.113 1.00 0.00 C ATOM 493 C PHE A 29 25.306 0.317 -5.132 1.00 0.00 C ATOM 494 O PHE A 29 24.981 -0.760 -5.593 1.00 0.00 O ATOM 495 CB PHE A 29 27.207 1.105 -3.684 1.00 0.00 C ATOM 496 CG PHE A 29 28.725 1.073 -3.543 1.00 0.00 C ATOM 497 CD1 PHE A 29 29.570 0.829 -4.660 1.00 0.00 C ATOM 498 CD2 PHE A 29 29.300 1.292 -2.270 1.00 0.00 C ATOM 499 CE1 PHE A 29 30.973 0.804 -4.494 1.00 0.00 C ATOM 500 CE2 PHE A 29 30.703 1.267 -2.108 1.00 0.00 C ATOM 501 CZ PHE A 29 31.538 1.022 -3.219 1.00 0.00 C ATOM 0 H PHE A 29 27.162 2.852 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 29 27.364 -0.035 -5.540 1.00 0.00 H new ATOM 0 HB2 PHE A 29 26.837 2.093 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 29 26.762 0.395 -2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 29 29.139 0.663 -5.636 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.664 1.479 -1.418 1.00 0.00 H new ATOM 0 HE1 PHE A 29 31.614 0.618 -5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 29 31.137 1.435 -1.133 1.00 0.00 H new ATOM 0 HZ PHE A 29 32.610 1.001 -3.094 1.00 0.00 H new ATOM 511 N HIS A 30 24.425 1.149 -4.650 1.00 0.00 N ATOM 512 CA HIS A 30 22.980 0.795 -4.648 1.00 0.00 C ATOM 513 C HIS A 30 22.539 0.401 -6.059 1.00 0.00 C ATOM 514 O HIS A 30 21.577 -0.316 -6.244 1.00 0.00 O ATOM 515 CB HIS A 30 22.269 2.074 -4.202 1.00 0.00 C ATOM 516 CG HIS A 30 20.865 1.745 -3.772 1.00 0.00 C ATOM 517 ND1 HIS A 30 20.497 1.679 -2.438 1.00 0.00 N ATOM 518 CD2 HIS A 30 19.729 1.462 -4.489 1.00 0.00 C ATOM 519 CE1 HIS A 30 19.188 1.368 -2.394 1.00 0.00 C ATOM 520 NE2 HIS A 30 18.671 1.224 -3.617 1.00 0.00 N ATOM 0 H HIS A 30 24.646 2.063 -4.256 1.00 0.00 H new ATOM 0 HA HIS A 30 22.755 -0.048 -3.995 1.00 0.00 H new ATOM 0 HB2 HIS A 30 22.813 2.537 -3.379 1.00 0.00 H new ATOM 0 HB3 HIS A 30 22.251 2.796 -5.018 1.00 0.00 H new ATOM 0 HD1 HIS A 30 21.107 1.837 -1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.666 1.429 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.624 1.249 -1.480 1.00 0.00 H new ATOM 528 N GLU A 31 23.236 0.875 -7.057 1.00 0.00 N ATOM 529 CA GLU A 31 22.857 0.538 -8.460 1.00 0.00 C ATOM 530 C GLU A 31 23.334 -0.871 -8.836 1.00 0.00 C ATOM 531 O GLU A 31 22.651 -1.597 -9.530 1.00 0.00 O ATOM 532 CB GLU A 31 23.563 1.586 -9.319 1.00 0.00 C ATOM 533 CG GLU A 31 22.519 2.487 -9.982 1.00 0.00 C ATOM 534 CD GLU A 31 21.917 3.425 -8.933 1.00 0.00 C ATOM 535 OE1 GLU A 31 21.612 2.953 -7.851 1.00 0.00 O ATOM 536 OE2 GLU A 31 21.773 4.600 -9.230 1.00 0.00 O ATOM 0 H GLU A 31 24.051 1.481 -6.961 1.00 0.00 H new ATOM 0 HA GLU A 31 21.776 0.545 -8.600 1.00 0.00 H new ATOM 0 HB2 GLU A 31 24.236 2.183 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 31 24.174 1.098 -10.079 1.00 0.00 H new ATOM 0 HG2 GLU A 31 22.979 3.066 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 31 21.735 1.881 -10.436 1.00 0.00 H new ATOM 543 N LEU A 32 24.502 -1.263 -8.399 1.00 0.00 N ATOM 544 CA LEU A 32 25.008 -2.619 -8.755 1.00 0.00 C ATOM 545 C LEU A 32 24.453 -3.686 -7.792 1.00 0.00 C ATOM 546 O LEU A 32 24.676 -4.867 -7.974 1.00 0.00 O ATOM 547 CB LEU A 32 26.547 -2.499 -8.675 1.00 0.00 C ATOM 548 CG LEU A 32 27.059 -2.755 -7.248 1.00 0.00 C ATOM 549 CD1 LEU A 32 27.574 -4.192 -7.143 1.00 0.00 C ATOM 550 CD2 LEU A 32 28.201 -1.792 -6.924 1.00 0.00 C ATOM 0 H LEU A 32 25.124 -0.705 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 32 24.687 -2.938 -9.747 1.00 0.00 H new ATOM 0 HB2 LEU A 32 27.005 -3.212 -9.360 1.00 0.00 H new ATOM 0 HB3 LEU A 32 26.853 -1.504 -8.999 1.00 0.00 H new ATOM 0 HG LEU A 32 26.242 -2.600 -6.543 1.00 0.00 H new ATOM 0 HD11 LEU A 32 27.937 -4.375 -6.132 1.00 0.00 H new ATOM 0 HD12 LEU A 32 26.764 -4.886 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 32 28.387 -4.340 -7.853 1.00 0.00 H new ATOM 0 HD21 LEU A 32 28.559 -1.979 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 32 29.017 -1.944 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 32 27.843 -0.765 -6.998 1.00 0.00 H new ATOM 562 N ILE A 33 23.743 -3.286 -6.769 1.00 0.00 N ATOM 563 CA ILE A 33 23.196 -4.294 -5.807 1.00 0.00 C ATOM 564 C ILE A 33 21.672 -4.148 -5.667 1.00 0.00 C ATOM 565 O ILE A 33 21.017 -4.971 -5.060 1.00 0.00 O ATOM 566 CB ILE A 33 23.904 -3.997 -4.476 1.00 0.00 C ATOM 567 CG1 ILE A 33 23.396 -2.655 -3.913 1.00 0.00 C ATOM 568 CG2 ILE A 33 25.416 -3.942 -4.729 1.00 0.00 C ATOM 569 CD1 ILE A 33 24.260 -2.179 -2.736 1.00 0.00 C ATOM 0 H ILE A 33 23.519 -2.314 -6.557 1.00 0.00 H new ATOM 0 HA ILE A 33 23.372 -5.316 -6.142 1.00 0.00 H new ATOM 0 HB ILE A 33 23.690 -4.778 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 33 23.404 -1.902 -4.701 1.00 0.00 H new ATOM 0 HG13 ILE A 33 22.362 -2.764 -3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 33 25.934 -3.732 -3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 33 25.754 -4.900 -5.124 1.00 0.00 H new ATOM 0 HG23 ILE A 33 25.636 -3.155 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 33 23.875 -1.230 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 33 24.230 -2.922 -1.939 1.00 0.00 H new ATOM 0 HD13 ILE A 33 25.289 -2.047 -3.070 1.00 0.00 H new ATOM 581 N LYS A 34 21.104 -3.107 -6.219 1.00 0.00 N ATOM 582 CA LYS A 34 19.628 -2.918 -6.106 1.00 0.00 C ATOM 583 C LYS A 34 19.201 -2.981 -4.637 1.00 0.00 C ATOM 584 O LYS A 34 20.014 -3.156 -3.752 1.00 0.00 O ATOM 585 CB LYS A 34 19.017 -4.076 -6.895 1.00 0.00 C ATOM 586 CG LYS A 34 17.777 -3.584 -7.645 1.00 0.00 C ATOM 587 CD LYS A 34 18.194 -3.034 -9.011 1.00 0.00 C ATOM 588 CE LYS A 34 18.572 -4.195 -9.934 1.00 0.00 C ATOM 589 NZ LYS A 34 18.349 -3.675 -11.312 1.00 0.00 N ATOM 0 H LYS A 34 21.597 -2.382 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 34 19.304 -1.951 -6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 34 19.747 -4.475 -7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 34 18.748 -4.888 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.067 -4.401 -7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.273 -2.809 -7.067 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.378 -2.459 -9.448 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.039 -2.354 -8.899 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.610 -4.495 -9.788 1.00 0.00 H new ATOM 0 HE3 LYS A 34 17.956 -5.073 -9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.586 -4.414 -12.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.351 -3.404 -11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.954 -2.844 -11.472 1.00 0.00 H new ATOM 603 N GLY A 35 17.931 -2.840 -4.371 1.00 0.00 N ATOM 604 CA GLY A 35 17.458 -2.892 -2.959 1.00 0.00 C ATOM 605 C GLY A 35 16.041 -3.468 -2.916 1.00 0.00 C ATOM 606 O GLY A 35 15.122 -2.757 -3.289 1.00 0.00 O ATOM 607 OXT GLY A 35 15.899 -4.610 -2.510 1.00 0.00 O ATOM 0 H GLY A 35 17.202 -2.691 -5.069 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.130 -3.508 -2.362 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.469 -1.893 -2.524 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 44.741 5.292 -6.311 1.00 0.00 N ATOM 613 CA GLY B 1 43.783 4.295 -5.755 1.00 0.00 C ATOM 614 C GLY B 1 42.360 4.848 -5.853 1.00 0.00 C ATOM 615 O GLY B 1 41.494 4.254 -6.463 1.00 0.00 O ATOM 0 H1 GLY B 1 45.709 4.918 -6.245 1.00 0.00 H new ATOM 0 H2 GLY B 1 44.509 5.478 -7.308 1.00 0.00 H new ATOM 0 H3 GLY B 1 44.675 6.177 -5.769 1.00 0.00 H new ATOM 0 HA2 GLY B 1 43.859 3.356 -6.304 1.00 0.00 H new ATOM 0 HA3 GLY B 1 44.030 4.078 -4.716 1.00 0.00 H new ATOM 621 N GLU B 2 42.114 5.982 -5.256 1.00 0.00 N ATOM 622 CA GLU B 2 40.748 6.578 -5.314 1.00 0.00 C ATOM 623 C GLU B 2 39.705 5.560 -4.847 1.00 0.00 C ATOM 624 O GLU B 2 39.115 4.860 -5.646 1.00 0.00 O ATOM 625 CB GLU B 2 40.531 6.936 -6.784 1.00 0.00 C ATOM 626 CG GLU B 2 41.371 8.164 -7.140 1.00 0.00 C ATOM 627 CD GLU B 2 41.105 8.560 -8.594 1.00 0.00 C ATOM 628 OE1 GLU B 2 41.563 7.850 -9.474 1.00 0.00 O ATOM 629 OE2 GLU B 2 40.446 9.565 -8.802 1.00 0.00 O ATOM 0 H GLU B 2 42.800 6.523 -4.730 1.00 0.00 H new ATOM 0 HA GLU B 2 40.651 7.449 -4.666 1.00 0.00 H new ATOM 0 HB2 GLU B 2 40.810 6.095 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU B 2 39.476 7.138 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU B 2 41.124 8.992 -6.475 1.00 0.00 H new ATOM 0 HG3 GLU B 2 42.430 7.947 -6.999 1.00 0.00 H new ATOM 636 N VAL B 3 39.482 5.484 -3.554 1.00 0.00 N ATOM 637 CA VAL B 3 38.478 4.522 -2.982 1.00 0.00 C ATOM 638 C VAL B 3 38.481 3.186 -3.736 1.00 0.00 C ATOM 639 O VAL B 3 37.455 2.564 -3.927 1.00 0.00 O ATOM 640 CB VAL B 3 37.120 5.223 -3.116 1.00 0.00 C ATOM 641 CG1 VAL B 3 36.739 5.364 -4.592 1.00 0.00 C ATOM 642 CG2 VAL B 3 36.055 4.397 -2.394 1.00 0.00 C ATOM 0 H VAL B 3 39.961 6.057 -2.859 1.00 0.00 H new ATOM 0 HA VAL B 3 38.711 4.278 -1.946 1.00 0.00 H new ATOM 0 HB VAL B 3 37.186 6.216 -2.672 1.00 0.00 H new ATOM 0 HG11 VAL B 3 35.773 5.863 -4.672 1.00 0.00 H new ATOM 0 HG12 VAL B 3 37.496 5.954 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL B 3 36.676 4.376 -5.047 1.00 0.00 H new ATOM 0 HG21 VAL B 3 35.088 4.891 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL B 3 36.000 3.404 -2.841 1.00 0.00 H new ATOM 0 HG23 VAL B 3 36.317 4.307 -1.340 1.00 0.00 H new ATOM 652 N GLU B 4 39.628 2.743 -4.166 1.00 0.00 N ATOM 653 CA GLU B 4 39.698 1.451 -4.906 1.00 0.00 C ATOM 654 C GLU B 4 39.624 0.271 -3.932 1.00 0.00 C ATOM 655 O GLU B 4 39.340 -0.845 -4.316 1.00 0.00 O ATOM 656 CB GLU B 4 41.051 1.476 -5.615 1.00 0.00 C ATOM 657 CG GLU B 4 40.832 1.463 -7.129 1.00 0.00 C ATOM 658 CD GLU B 4 42.186 1.484 -7.841 1.00 0.00 C ATOM 659 OE1 GLU B 4 43.054 0.725 -7.443 1.00 0.00 O ATOM 660 OE2 GLU B 4 42.332 2.260 -8.771 1.00 0.00 O ATOM 0 H GLU B 4 40.521 3.219 -4.038 1.00 0.00 H new ATOM 0 HA GLU B 4 38.871 1.333 -5.606 1.00 0.00 H new ATOM 0 HB2 GLU B 4 41.609 2.366 -5.325 1.00 0.00 H new ATOM 0 HB3 GLU B 4 41.647 0.614 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU B 4 40.271 0.574 -7.418 1.00 0.00 H new ATOM 0 HG3 GLU B 4 40.238 2.327 -7.429 1.00 0.00 H new ATOM 667 N GLU B 5 39.881 0.508 -2.674 1.00 0.00 N ATOM 668 CA GLU B 5 39.830 -0.603 -1.681 1.00 0.00 C ATOM 669 C GLU B 5 38.389 -0.857 -1.236 1.00 0.00 C ATOM 670 O GLU B 5 37.959 -1.984 -1.117 1.00 0.00 O ATOM 671 CB GLU B 5 40.672 -0.118 -0.505 1.00 0.00 C ATOM 672 CG GLU B 5 42.150 -0.125 -0.898 1.00 0.00 C ATOM 673 CD GLU B 5 42.706 -1.544 -0.767 1.00 0.00 C ATOM 674 OE1 GLU B 5 42.977 -1.952 0.351 1.00 0.00 O ATOM 675 OE2 GLU B 5 42.853 -2.198 -1.786 1.00 0.00 O ATOM 0 H GLU B 5 40.124 1.422 -2.291 1.00 0.00 H new ATOM 0 HA GLU B 5 40.202 -1.540 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU B 5 40.367 0.888 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU B 5 40.512 -0.761 0.360 1.00 0.00 H new ATOM 0 HG2 GLU B 5 42.267 0.230 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU B 5 42.710 0.557 -0.259 1.00 0.00 H new ATOM 682 N LEU B 6 37.640 0.180 -0.992 1.00 0.00 N ATOM 683 CA LEU B 6 36.226 -0.012 -0.564 1.00 0.00 C ATOM 684 C LEU B 6 35.399 -0.436 -1.785 1.00 0.00 C ATOM 685 O LEU B 6 34.473 -1.217 -1.686 1.00 0.00 O ATOM 686 CB LEU B 6 35.819 1.366 0.020 1.00 0.00 C ATOM 687 CG LEU B 6 34.405 1.800 -0.407 1.00 0.00 C ATOM 688 CD1 LEU B 6 33.363 0.858 0.191 1.00 0.00 C ATOM 689 CD2 LEU B 6 34.141 3.217 0.107 1.00 0.00 C ATOM 0 H LEU B 6 37.944 1.151 -1.070 1.00 0.00 H new ATOM 0 HA LEU B 6 36.070 -0.793 0.180 1.00 0.00 H new ATOM 0 HB2 LEU B 6 35.868 1.323 1.108 1.00 0.00 H new ATOM 0 HB3 LEU B 6 36.538 2.119 -0.302 1.00 0.00 H new ATOM 0 HG LEU B 6 34.336 1.771 -1.494 1.00 0.00 H new ATOM 0 HD11 LEU B 6 32.367 1.175 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU B 6 33.546 -0.157 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU B 6 33.431 0.883 1.279 1.00 0.00 H new ATOM 0 HD21 LEU B 6 33.141 3.532 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU B 6 34.216 3.229 1.194 1.00 0.00 H new ATOM 0 HD23 LEU B 6 34.878 3.900 -0.315 1.00 0.00 H new ATOM 701 N GLU B 7 35.749 0.057 -2.938 1.00 0.00 N ATOM 702 CA GLU B 7 35.004 -0.328 -4.170 1.00 0.00 C ATOM 703 C GLU B 7 35.294 -1.788 -4.523 1.00 0.00 C ATOM 704 O GLU B 7 34.394 -2.581 -4.753 1.00 0.00 O ATOM 705 CB GLU B 7 35.543 0.596 -5.259 1.00 0.00 C ATOM 706 CG GLU B 7 34.532 0.680 -6.404 1.00 0.00 C ATOM 707 CD GLU B 7 35.161 0.119 -7.681 1.00 0.00 C ATOM 708 OE1 GLU B 7 35.300 -1.090 -7.768 1.00 0.00 O ATOM 709 OE2 GLU B 7 35.494 0.909 -8.550 1.00 0.00 O ATOM 0 H GLU B 7 36.519 0.710 -3.082 1.00 0.00 H new ATOM 0 HA GLU B 7 33.925 -0.234 -4.048 1.00 0.00 H new ATOM 0 HB2 GLU B 7 35.728 1.589 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU B 7 36.497 0.221 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU B 7 33.633 0.118 -6.151 1.00 0.00 H new ATOM 0 HG3 GLU B 7 34.228 1.715 -6.560 1.00 0.00 H new ATOM 716 N LYS B 8 36.548 -2.149 -4.571 1.00 0.00 N ATOM 717 CA LYS B 8 36.901 -3.553 -4.914 1.00 0.00 C ATOM 718 C LYS B 8 36.318 -4.510 -3.882 1.00 0.00 C ATOM 719 O LYS B 8 35.712 -5.497 -4.224 1.00 0.00 O ATOM 720 CB LYS B 8 38.428 -3.599 -4.897 1.00 0.00 C ATOM 721 CG LYS B 8 38.968 -3.105 -6.240 1.00 0.00 C ATOM 722 CD LYS B 8 39.980 -4.114 -6.783 1.00 0.00 C ATOM 723 CE LYS B 8 39.906 -4.140 -8.311 1.00 0.00 C ATOM 724 NZ LYS B 8 40.236 -5.544 -8.685 1.00 0.00 N ATOM 0 H LYS B 8 37.340 -1.533 -4.388 1.00 0.00 H new ATOM 0 HA LYS B 8 36.501 -3.854 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS B 8 38.812 -2.978 -4.088 1.00 0.00 H new ATOM 0 HB3 LYS B 8 38.770 -4.617 -4.708 1.00 0.00 H new ATOM 0 HG2 LYS B 8 38.150 -2.977 -6.949 1.00 0.00 H new ATOM 0 HG3 LYS B 8 39.440 -2.130 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS B 8 40.986 -3.845 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS B 8 39.772 -5.106 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS B 8 38.913 -3.860 -8.664 1.00 0.00 H new ATOM 0 HE3 LYS B 8 40.612 -3.437 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 40.206 -5.644 -9.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 41.189 -5.780 -8.342 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 39.543 -6.190 -8.255 1.00 0.00 H new ATOM 738 N LYS B 9 36.479 -4.219 -2.625 1.00 0.00 N ATOM 739 CA LYS B 9 35.909 -5.115 -1.583 1.00 0.00 C ATOM 740 C LYS B 9 34.394 -5.177 -1.757 1.00 0.00 C ATOM 741 O LYS B 9 33.749 -6.134 -1.379 1.00 0.00 O ATOM 742 CB LYS B 9 36.278 -4.458 -0.254 1.00 0.00 C ATOM 743 CG LYS B 9 37.726 -4.801 0.100 1.00 0.00 C ATOM 744 CD LYS B 9 37.765 -6.127 0.863 1.00 0.00 C ATOM 745 CE LYS B 9 38.692 -7.105 0.140 1.00 0.00 C ATOM 746 NZ LYS B 9 39.623 -7.598 1.194 1.00 0.00 N ATOM 0 H LYS B 9 36.979 -3.402 -2.273 1.00 0.00 H new ATOM 0 HA LYS B 9 36.288 -6.136 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS B 9 36.156 -3.377 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS B 9 35.608 -4.804 0.533 1.00 0.00 H new ATOM 0 HG2 LYS B 9 38.326 -4.874 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS B 9 38.161 -4.007 0.707 1.00 0.00 H new ATOM 0 HD2 LYS B 9 38.116 -5.962 1.882 1.00 0.00 H new ATOM 0 HD3 LYS B 9 36.762 -6.547 0.936 1.00 0.00 H new ATOM 0 HE2 LYS B 9 38.130 -7.925 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS B 9 39.234 -6.613 -0.668 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 40.293 -8.276 0.777 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 40.148 -6.796 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 39.079 -8.067 1.946 1.00 0.00 H new ATOM 760 N PHE B 10 33.826 -4.154 -2.331 1.00 0.00 N ATOM 761 CA PHE B 10 32.355 -4.131 -2.541 1.00 0.00 C ATOM 762 C PHE B 10 31.919 -5.248 -3.493 1.00 0.00 C ATOM 763 O PHE B 10 31.220 -6.167 -3.109 1.00 0.00 O ATOM 764 CB PHE B 10 32.081 -2.762 -3.168 1.00 0.00 C ATOM 765 CG PHE B 10 30.708 -2.284 -2.775 1.00 0.00 C ATOM 766 CD1 PHE B 10 30.466 -1.841 -1.457 1.00 0.00 C ATOM 767 CD2 PHE B 10 29.666 -2.273 -3.729 1.00 0.00 C ATOM 768 CE1 PHE B 10 29.182 -1.385 -1.091 1.00 0.00 C ATOM 769 CE2 PHE B 10 28.381 -1.818 -3.363 1.00 0.00 C ATOM 770 CZ PHE B 10 28.140 -1.374 -2.044 1.00 0.00 C ATOM 0 H PHE B 10 34.322 -3.328 -2.665 1.00 0.00 H new ATOM 0 HA PHE B 10 31.806 -4.287 -1.612 1.00 0.00 H new ATOM 0 HB2 PHE B 10 32.833 -2.045 -2.840 1.00 0.00 H new ATOM 0 HB3 PHE B 10 32.156 -2.828 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE B 10 31.264 -1.851 -0.729 1.00 0.00 H new ATOM 0 HD2 PHE B 10 29.852 -2.612 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE B 10 28.996 -1.045 -0.083 1.00 0.00 H new ATOM 0 HE2 PHE B 10 27.583 -1.809 -4.091 1.00 0.00 H new ATOM 0 HZ PHE B 10 27.157 -1.025 -1.764 1.00 0.00 H new ATOM 780 N LYS B 11 32.309 -5.174 -4.735 1.00 0.00 N ATOM 781 CA LYS B 11 31.883 -6.227 -5.705 1.00 0.00 C ATOM 782 C LYS B 11 32.472 -7.592 -5.342 1.00 0.00 C ATOM 783 O LYS B 11 31.911 -8.625 -5.653 1.00 0.00 O ATOM 784 CB LYS B 11 32.417 -5.753 -7.051 1.00 0.00 C ATOM 785 CG LYS B 11 31.984 -6.730 -8.145 1.00 0.00 C ATOM 786 CD LYS B 11 30.461 -6.690 -8.286 1.00 0.00 C ATOM 787 CE LYS B 11 30.073 -7.051 -9.721 1.00 0.00 C ATOM 788 NZ LYS B 11 29.575 -5.778 -10.314 1.00 0.00 N ATOM 0 H LYS B 11 32.900 -4.437 -5.120 1.00 0.00 H new ATOM 0 HA LYS B 11 30.801 -6.359 -5.708 1.00 0.00 H new ATOM 0 HB2 LYS B 11 32.041 -4.754 -7.272 1.00 0.00 H new ATOM 0 HB3 LYS B 11 33.504 -5.685 -7.019 1.00 0.00 H new ATOM 0 HG2 LYS B 11 32.455 -6.466 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS B 11 32.311 -7.740 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS B 11 30.002 -7.389 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS B 11 30.088 -5.697 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS B 11 30.928 -7.438 -10.276 1.00 0.00 H new ATOM 0 HE3 LYS B 11 29.304 -7.823 -9.740 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 29.289 -5.943 -11.300 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 28.758 -5.437 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 30.331 -5.064 -10.288 1.00 0.00 H new ATOM 802 N GLU B 12 33.596 -7.606 -4.690 1.00 0.00 N ATOM 803 CA GLU B 12 34.222 -8.905 -4.312 1.00 0.00 C ATOM 804 C GLU B 12 33.480 -9.521 -3.130 1.00 0.00 C ATOM 805 O GLU B 12 33.505 -10.720 -2.928 1.00 0.00 O ATOM 806 CB GLU B 12 35.657 -8.559 -3.917 1.00 0.00 C ATOM 807 CG GLU B 12 36.574 -8.725 -5.131 1.00 0.00 C ATOM 808 CD GLU B 12 36.191 -7.703 -6.202 1.00 0.00 C ATOM 809 OE1 GLU B 12 35.261 -7.973 -6.944 1.00 0.00 O ATOM 810 OE2 GLU B 12 36.834 -6.668 -6.263 1.00 0.00 O ATOM 0 H GLU B 12 34.112 -6.775 -4.401 1.00 0.00 H new ATOM 0 HA GLU B 12 34.188 -9.629 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU B 12 35.707 -7.535 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU B 12 35.989 -9.207 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU B 12 37.614 -8.586 -4.836 1.00 0.00 H new ATOM 0 HG3 GLU B 12 36.488 -9.736 -5.530 1.00 0.00 H new ATOM 817 N LEU B 13 32.819 -8.718 -2.343 1.00 0.00 N ATOM 818 CA LEU B 13 32.083 -9.279 -1.180 1.00 0.00 C ATOM 819 C LEU B 13 30.741 -9.854 -1.641 1.00 0.00 C ATOM 820 O LEU B 13 30.296 -10.874 -1.153 1.00 0.00 O ATOM 821 CB LEU B 13 31.895 -8.104 -0.224 1.00 0.00 C ATOM 822 CG LEU B 13 33.026 -8.115 0.810 1.00 0.00 C ATOM 823 CD1 LEU B 13 33.031 -6.795 1.582 1.00 0.00 C ATOM 824 CD2 LEU B 13 32.822 -9.277 1.787 1.00 0.00 C ATOM 0 H LEU B 13 32.758 -7.706 -2.455 1.00 0.00 H new ATOM 0 HA LEU B 13 32.617 -10.096 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU B 13 31.900 -7.165 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU B 13 30.928 -8.176 0.275 1.00 0.00 H new ATOM 0 HG LEU B 13 33.979 -8.238 0.296 1.00 0.00 H new ATOM 0 HD11 LEU B 13 33.836 -6.806 2.316 1.00 0.00 H new ATOM 0 HD12 LEU B 13 33.184 -5.968 0.888 1.00 0.00 H new ATOM 0 HD13 LEU B 13 32.076 -6.668 2.092 1.00 0.00 H new ATOM 0 HD21 LEU B 13 33.628 -9.281 2.521 1.00 0.00 H new ATOM 0 HD22 LEU B 13 31.867 -9.159 2.298 1.00 0.00 H new ATOM 0 HD23 LEU B 13 32.826 -10.219 1.238 1.00 0.00 H new ATOM 836 N TRP B 14 30.100 -9.226 -2.592 1.00 0.00 N ATOM 837 CA TRP B 14 28.799 -9.770 -3.084 1.00 0.00 C ATOM 838 C TRP B 14 29.040 -11.098 -3.796 1.00 0.00 C ATOM 839 O TRP B 14 28.335 -12.066 -3.592 1.00 0.00 O ATOM 840 CB TRP B 14 28.269 -8.740 -4.079 1.00 0.00 C ATOM 841 CG TRP B 14 27.113 -8.018 -3.474 1.00 0.00 C ATOM 842 CD1 TRP B 14 25.849 -8.498 -3.374 1.00 0.00 C ATOM 843 CD2 TRP B 14 27.098 -6.698 -2.881 1.00 0.00 C ATOM 844 NE1 TRP B 14 25.058 -7.550 -2.753 1.00 0.00 N ATOM 845 CE2 TRP B 14 25.778 -6.421 -2.427 1.00 0.00 C ATOM 846 CE3 TRP B 14 28.098 -5.715 -2.691 1.00 0.00 C ATOM 847 CZ2 TRP B 14 25.458 -5.207 -1.804 1.00 0.00 C ATOM 848 CZ3 TRP B 14 27.784 -4.491 -2.062 1.00 0.00 C ATOM 849 CH2 TRP B 14 26.464 -4.237 -1.618 1.00 0.00 C ATOM 0 H TRP B 14 30.416 -8.369 -3.045 1.00 0.00 H new ATOM 0 HA TRP B 14 28.095 -9.944 -2.270 1.00 0.00 H new ATOM 0 HB2 TRP B 14 29.056 -8.033 -4.342 1.00 0.00 H new ATOM 0 HB3 TRP B 14 27.962 -9.233 -5.001 1.00 0.00 H new ATOM 0 HD1 TRP B 14 25.515 -9.464 -3.723 1.00 0.00 H new ATOM 0 HE1 TRP B 14 24.064 -7.671 -2.560 1.00 0.00 H new ATOM 0 HE3 TRP B 14 29.107 -5.902 -3.029 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 24.449 -5.016 -1.469 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 28.553 -3.746 -1.919 1.00 0.00 H new ATOM 0 HH2 TRP B 14 26.228 -3.300 -1.137 1.00 0.00 H new ATOM 860 N LYS B 15 30.036 -11.143 -4.634 1.00 0.00 N ATOM 861 CA LYS B 15 30.336 -12.399 -5.370 1.00 0.00 C ATOM 862 C LYS B 15 31.595 -13.049 -4.789 1.00 0.00 C ATOM 863 O LYS B 15 32.689 -12.877 -5.289 1.00 0.00 O ATOM 864 CB LYS B 15 30.556 -11.948 -6.811 1.00 0.00 C ATOM 865 CG LYS B 15 31.028 -13.132 -7.657 1.00 0.00 C ATOM 866 CD LYS B 15 29.905 -14.167 -7.758 1.00 0.00 C ATOM 867 CE LYS B 15 29.877 -14.751 -9.171 1.00 0.00 C ATOM 868 NZ LYS B 15 29.108 -13.762 -9.978 1.00 0.00 N ATOM 0 H LYS B 15 30.657 -10.361 -4.841 1.00 0.00 H new ATOM 0 HA LYS B 15 29.542 -13.143 -5.298 1.00 0.00 H new ATOM 0 HB2 LYS B 15 29.631 -11.542 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS B 15 31.296 -11.148 -6.843 1.00 0.00 H new ATOM 0 HG2 LYS B 15 31.313 -12.791 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS B 15 31.913 -13.583 -7.209 1.00 0.00 H new ATOM 0 HD2 LYS B 15 30.061 -14.961 -7.028 1.00 0.00 H new ATOM 0 HD3 LYS B 15 28.946 -13.703 -7.525 1.00 0.00 H new ATOM 0 HE2 LYS B 15 30.885 -14.884 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS B 15 29.398 -15.730 -9.185 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 29.044 -14.092 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 28.151 -13.662 -9.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 29.591 -12.842 -9.952 1.00 0.00 H new ATOM 882 N GLY B 16 31.441 -13.785 -3.723 1.00 0.00 N ATOM 883 CA GLY B 16 32.613 -14.444 -3.082 1.00 0.00 C ATOM 884 C GLY B 16 32.218 -14.876 -1.666 1.00 0.00 C ATOM 885 O GLY B 16 31.711 -15.963 -1.469 1.00 0.00 O ATOM 0 H GLY B 16 30.546 -13.959 -3.265 1.00 0.00 H new ATOM 0 HA2 GLY B 16 32.928 -15.308 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY B 16 33.459 -13.758 -3.046 1.00 0.00 H new ATOM 889 N PRO B 17 32.452 -14.000 -0.723 1.00 0.00 N ATOM 890 CA PRO B 17 32.101 -14.289 0.686 1.00 0.00 C ATOM 891 C PRO B 17 30.592 -14.098 0.881 1.00 0.00 C ATOM 892 O PRO B 17 29.831 -14.149 -0.064 1.00 0.00 O ATOM 893 CB PRO B 17 32.898 -13.250 1.471 1.00 0.00 C ATOM 894 CG PRO B 17 33.113 -12.114 0.519 1.00 0.00 C ATOM 895 CD PRO B 17 33.061 -12.674 -0.881 1.00 0.00 C ATOM 0 HA PRO B 17 32.330 -15.307 1.002 1.00 0.00 H new ATOM 0 HB2 PRO B 17 32.353 -12.923 2.357 1.00 0.00 H new ATOM 0 HB3 PRO B 17 33.848 -13.660 1.815 1.00 0.00 H new ATOM 0 HG2 PRO B 17 32.347 -11.351 0.655 1.00 0.00 H new ATOM 0 HG3 PRO B 17 34.075 -11.636 0.704 1.00 0.00 H new ATOM 0 HD2 PRO B 17 32.468 -12.041 -1.540 1.00 0.00 H new ATOM 0 HD3 PRO B 17 34.057 -12.744 -1.318 1.00 0.00 H new ATOM 903 N ARG B 18 30.149 -13.876 2.091 1.00 0.00 N ATOM 904 CA ARG B 18 28.687 -13.677 2.325 1.00 0.00 C ATOM 905 C ARG B 18 28.129 -12.636 1.342 1.00 0.00 C ATOM 906 O ARG B 18 28.859 -12.037 0.578 1.00 0.00 O ATOM 907 CB ARG B 18 28.576 -13.196 3.787 1.00 0.00 C ATOM 908 CG ARG B 18 28.870 -11.688 3.907 1.00 0.00 C ATOM 909 CD ARG B 18 30.339 -11.410 3.574 1.00 0.00 C ATOM 910 NE ARG B 18 31.131 -12.246 4.530 1.00 0.00 N ATOM 911 CZ ARG B 18 30.991 -12.087 5.822 1.00 0.00 C ATOM 912 NH1 ARG B 18 30.560 -10.951 6.300 1.00 0.00 N ATOM 913 NH2 ARG B 18 31.283 -13.066 6.634 1.00 0.00 N ATOM 0 H ARG B 18 30.734 -13.824 2.925 1.00 0.00 H new ATOM 0 HA ARG B 18 28.109 -14.587 2.164 1.00 0.00 H new ATOM 0 HB2 ARG B 18 27.575 -13.404 4.165 1.00 0.00 H new ATOM 0 HB3 ARG B 18 29.275 -13.755 4.410 1.00 0.00 H new ATOM 0 HG2 ARG B 18 28.224 -11.129 3.231 1.00 0.00 H new ATOM 0 HG3 ARG B 18 28.647 -11.345 4.917 1.00 0.00 H new ATOM 0 HD2 ARG B 18 30.564 -11.675 2.541 1.00 0.00 H new ATOM 0 HD3 ARG B 18 30.574 -10.352 3.690 1.00 0.00 H new ATOM 0 HE ARG B 18 31.784 -12.944 4.173 1.00 0.00 H new ATOM 0 HH11 ARG B 18 30.332 -10.185 5.666 1.00 0.00 H new ATOM 0 HH12 ARG B 18 30.452 -10.830 7.307 1.00 0.00 H new ATOM 0 HH21 ARG B 18 31.620 -13.954 6.262 1.00 0.00 H new ATOM 0 HH22 ARG B 18 31.174 -12.943 7.641 1.00 0.00 H new ATOM 927 N ARG B 19 26.845 -12.410 1.360 1.00 0.00 N ATOM 928 CA ARG B 19 26.264 -11.404 0.427 1.00 0.00 C ATOM 929 C ARG B 19 25.155 -10.609 1.122 1.00 0.00 C ATOM 930 O ARG B 19 25.085 -9.402 1.014 1.00 0.00 O ATOM 931 CB ARG B 19 25.695 -12.221 -0.733 1.00 0.00 C ATOM 932 CG ARG B 19 25.162 -11.274 -1.810 1.00 0.00 C ATOM 933 CD ARG B 19 24.129 -12.008 -2.666 1.00 0.00 C ATOM 934 NE ARG B 19 22.824 -11.742 -1.999 1.00 0.00 N ATOM 935 CZ ARG B 19 21.744 -12.346 -2.413 1.00 0.00 C ATOM 936 NH1 ARG B 19 21.396 -12.273 -3.668 1.00 0.00 N ATOM 937 NH2 ARG B 19 21.013 -13.025 -1.571 1.00 0.00 N ATOM 0 H ARG B 19 26.177 -12.874 1.975 1.00 0.00 H new ATOM 0 HA ARG B 19 27.005 -10.679 0.090 1.00 0.00 H new ATOM 0 HB2 ARG B 19 26.468 -12.866 -1.151 1.00 0.00 H new ATOM 0 HB3 ARG B 19 24.896 -12.871 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG B 19 24.710 -10.397 -1.347 1.00 0.00 H new ATOM 0 HG3 ARG B 19 25.981 -10.918 -2.435 1.00 0.00 H new ATOM 0 HD2 ARG B 19 24.131 -11.639 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG B 19 24.340 -13.076 -2.711 1.00 0.00 H new ATOM 0 HE ARG B 19 22.775 -11.087 -1.218 1.00 0.00 H new ATOM 0 HH11 ARG B 19 21.968 -11.744 -4.326 1.00 0.00 H new ATOM 0 HH12 ARG B 19 20.552 -12.745 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG B 19 21.286 -13.083 -0.590 1.00 0.00 H new ATOM 0 HH22 ARG B 19 20.169 -13.497 -1.894 1.00 0.00 H new ATOM 951 N GLY B 20 24.287 -11.275 1.832 1.00 0.00 N ATOM 952 CA GLY B 20 23.185 -10.552 2.528 1.00 0.00 C ATOM 953 C GLY B 20 23.778 -9.580 3.550 1.00 0.00 C ATOM 954 O GLY B 20 23.216 -8.540 3.831 1.00 0.00 O ATOM 0 H GLY B 20 24.293 -12.287 1.960 1.00 0.00 H new ATOM 0 HA2 GLY B 20 22.578 -10.009 1.804 1.00 0.00 H new ATOM 0 HA3 GLY B 20 22.527 -11.264 3.026 1.00 0.00 H new ATOM 958 N GLU B 21 24.911 -9.909 4.108 1.00 0.00 N ATOM 959 CA GLU B 21 25.539 -9.001 5.112 1.00 0.00 C ATOM 960 C GLU B 21 26.176 -7.800 4.411 1.00 0.00 C ATOM 961 O GLU B 21 26.240 -6.714 4.953 1.00 0.00 O ATOM 962 CB GLU B 21 26.606 -9.852 5.800 1.00 0.00 C ATOM 963 CG GLU B 21 26.063 -10.369 7.133 1.00 0.00 C ATOM 964 CD GLU B 21 27.196 -10.423 8.159 1.00 0.00 C ATOM 965 OE1 GLU B 21 28.002 -9.508 8.171 1.00 0.00 O ATOM 966 OE2 GLU B 21 27.238 -11.379 8.916 1.00 0.00 O ATOM 0 H GLU B 21 25.429 -10.766 3.913 1.00 0.00 H new ATOM 0 HA GLU B 21 24.815 -8.604 5.823 1.00 0.00 H new ATOM 0 HB2 GLU B 21 26.887 -10.689 5.161 1.00 0.00 H new ATOM 0 HB3 GLU B 21 27.507 -9.261 5.966 1.00 0.00 H new ATOM 0 HG2 GLU B 21 25.265 -9.717 7.490 1.00 0.00 H new ATOM 0 HG3 GLU B 21 25.630 -11.360 7.001 1.00 0.00 H new ATOM 973 N ILE B 22 26.643 -7.984 3.207 1.00 0.00 N ATOM 974 CA ILE B 22 27.270 -6.851 2.469 1.00 0.00 C ATOM 975 C ILE B 22 26.197 -5.843 2.067 1.00 0.00 C ATOM 976 O ILE B 22 26.262 -4.679 2.410 1.00 0.00 O ATOM 977 CB ILE B 22 27.902 -7.486 1.233 1.00 0.00 C ATOM 978 CG1 ILE B 22 28.897 -8.560 1.670 1.00 0.00 C ATOM 979 CG2 ILE B 22 28.627 -6.411 0.420 1.00 0.00 C ATOM 980 CD1 ILE B 22 30.012 -7.921 2.501 1.00 0.00 C ATOM 0 H ILE B 22 26.618 -8.870 2.702 1.00 0.00 H new ATOM 0 HA ILE B 22 28.006 -6.316 3.069 1.00 0.00 H new ATOM 0 HB ILE B 22 27.126 -7.940 0.617 1.00 0.00 H new ATOM 0 HG12 ILE B 22 28.387 -9.326 2.255 1.00 0.00 H new ATOM 0 HG13 ILE B 22 29.320 -9.055 0.796 1.00 0.00 H new ATOM 0 HG21 ILE B 22 29.078 -6.865 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE B 22 27.914 -5.646 0.111 1.00 0.00 H new ATOM 0 HG23 ILE B 22 29.405 -5.955 1.032 1.00 0.00 H new ATOM 0 HD11 ILE B 22 30.720 -8.689 2.811 1.00 0.00 H new ATOM 0 HD12 ILE B 22 30.529 -7.172 1.901 1.00 0.00 H new ATOM 0 HD13 ILE B 22 29.582 -7.446 3.383 1.00 0.00 H new ATOM 992 N GLU B 23 25.202 -6.283 1.353 1.00 0.00 N ATOM 993 CA GLU B 23 24.118 -5.357 0.946 1.00 0.00 C ATOM 994 C GLU B 23 23.471 -4.765 2.202 1.00 0.00 C ATOM 995 O GLU B 23 23.042 -3.624 2.221 1.00 0.00 O ATOM 996 CB GLU B 23 23.151 -6.235 0.150 1.00 0.00 C ATOM 997 CG GLU B 23 21.999 -5.391 -0.382 1.00 0.00 C ATOM 998 CD GLU B 23 20.694 -5.828 0.285 1.00 0.00 C ATOM 999 OE1 GLU B 23 20.544 -5.578 1.469 1.00 0.00 O ATOM 1000 OE2 GLU B 23 19.865 -6.405 -0.401 1.00 0.00 O ATOM 0 H GLU B 23 25.094 -7.246 1.034 1.00 0.00 H new ATOM 0 HA GLU B 23 24.455 -4.511 0.348 1.00 0.00 H new ATOM 0 HB2 GLU B 23 23.676 -6.711 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU B 23 22.765 -7.033 0.784 1.00 0.00 H new ATOM 0 HG2 GLU B 23 22.186 -4.336 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU B 23 21.922 -5.503 -1.464 1.00 0.00 H new ATOM 1007 N GLU B 24 23.436 -5.515 3.269 1.00 0.00 N ATOM 1008 CA GLU B 24 22.860 -4.970 4.527 1.00 0.00 C ATOM 1009 C GLU B 24 23.710 -3.780 4.966 1.00 0.00 C ATOM 1010 O GLU B 24 23.212 -2.775 5.438 1.00 0.00 O ATOM 1011 CB GLU B 24 22.952 -6.110 5.542 1.00 0.00 C ATOM 1012 CG GLU B 24 22.406 -5.636 6.890 1.00 0.00 C ATOM 1013 CD GLU B 24 21.837 -6.830 7.659 1.00 0.00 C ATOM 1014 OE1 GLU B 24 22.552 -7.806 7.813 1.00 0.00 O ATOM 1015 OE2 GLU B 24 20.695 -6.748 8.080 1.00 0.00 O ATOM 0 H GLU B 24 23.779 -6.474 3.323 1.00 0.00 H new ATOM 0 HA GLU B 24 21.830 -4.629 4.419 1.00 0.00 H new ATOM 0 HB2 GLU B 24 22.385 -6.972 5.190 1.00 0.00 H new ATOM 0 HB3 GLU B 24 23.987 -6.433 5.650 1.00 0.00 H new ATOM 0 HG2 GLU B 24 23.198 -5.162 7.469 1.00 0.00 H new ATOM 0 HG3 GLU B 24 21.630 -4.886 6.737 1.00 0.00 H new ATOM 1022 N LEU B 25 24.998 -3.888 4.786 1.00 0.00 N ATOM 1023 CA LEU B 25 25.906 -2.768 5.159 1.00 0.00 C ATOM 1024 C LEU B 25 25.714 -1.611 4.179 1.00 0.00 C ATOM 1025 O LEU B 25 25.980 -0.471 4.493 1.00 0.00 O ATOM 1026 CB LEU B 25 27.325 -3.332 5.041 1.00 0.00 C ATOM 1027 CG LEU B 25 28.073 -3.167 6.372 1.00 0.00 C ATOM 1028 CD1 LEU B 25 29.548 -3.519 6.165 1.00 0.00 C ATOM 1029 CD2 LEU B 25 27.967 -1.719 6.863 1.00 0.00 C ATOM 0 H LEU B 25 25.462 -4.708 4.395 1.00 0.00 H new ATOM 0 HA LEU B 25 25.708 -2.392 6.163 1.00 0.00 H new ATOM 0 HB2 LEU B 25 27.284 -4.386 4.767 1.00 0.00 H new ATOM 0 HB3 LEU B 25 27.864 -2.817 4.246 1.00 0.00 H new ATOM 0 HG LEU B 25 27.629 -3.829 7.115 1.00 0.00 H new ATOM 0 HD11 LEU B 25 30.085 -3.404 7.106 1.00 0.00 H new ATOM 0 HD12 LEU B 25 29.631 -4.551 5.823 1.00 0.00 H new ATOM 0 HD13 LEU B 25 29.979 -2.853 5.417 1.00 0.00 H new ATOM 0 HD21 LEU B 25 28.501 -1.615 7.807 1.00 0.00 H new ATOM 0 HD22 LEU B 25 28.406 -1.051 6.122 1.00 0.00 H new ATOM 0 HD23 LEU B 25 26.918 -1.460 7.009 1.00 0.00 H new ATOM 1041 N HIS B 26 25.243 -1.898 2.994 1.00 0.00 N ATOM 1042 CA HIS B 26 25.018 -0.811 2.001 1.00 0.00 C ATOM 1043 C HIS B 26 23.832 0.037 2.460 1.00 0.00 C ATOM 1044 O HIS B 26 23.767 1.223 2.208 1.00 0.00 O ATOM 1045 CB HIS B 26 24.726 -1.518 0.676 1.00 0.00 C ATOM 1046 CG HIS B 26 24.280 -0.507 -0.342 1.00 0.00 C ATOM 1047 ND1 HIS B 26 25.154 0.393 -0.928 1.00 0.00 N ATOM 1048 CD2 HIS B 26 23.049 -0.239 -0.875 1.00 0.00 C ATOM 1049 CE1 HIS B 26 24.438 1.157 -1.774 1.00 0.00 C ATOM 1050 NE2 HIS B 26 23.148 0.813 -1.781 1.00 0.00 N ATOM 0 H HIS B 26 25.005 -2.837 2.673 1.00 0.00 H new ATOM 0 HA HIS B 26 25.873 -0.143 1.895 1.00 0.00 H new ATOM 0 HB2 HIS B 26 25.618 -2.036 0.323 1.00 0.00 H new ATOM 0 HB3 HIS B 26 23.953 -2.274 0.817 1.00 0.00 H new ATOM 0 HD1 HIS B 26 26.156 0.464 -0.751 1.00 0.00 H new ATOM 0 HD2 HIS B 26 22.138 -0.764 -0.630 1.00 0.00 H new ATOM 0 HE1 HIS B 26 24.856 1.952 -2.374 1.00 0.00 H new ATOM 1058 N LYS B 27 22.903 -0.555 3.157 1.00 0.00 N ATOM 1059 CA LYS B 27 21.748 0.240 3.658 1.00 0.00 C ATOM 1060 C LYS B 27 22.231 1.103 4.826 1.00 0.00 C ATOM 1061 O LYS B 27 22.032 2.304 4.855 1.00 0.00 O ATOM 1062 CB LYS B 27 20.717 -0.789 4.125 1.00 0.00 C ATOM 1063 CG LYS B 27 19.502 -0.751 3.196 1.00 0.00 C ATOM 1064 CD LYS B 27 19.939 -1.095 1.770 1.00 0.00 C ATOM 1065 CE LYS B 27 19.444 -2.497 1.408 1.00 0.00 C ATOM 1066 NZ LYS B 27 18.001 -2.320 1.082 1.00 0.00 N ATOM 0 H LYS B 27 22.893 -1.546 3.400 1.00 0.00 H new ATOM 0 HA LYS B 27 21.319 0.901 2.905 1.00 0.00 H new ATOM 0 HB2 LYS B 27 21.157 -1.786 4.125 1.00 0.00 H new ATOM 0 HB3 LYS B 27 20.412 -0.575 5.149 1.00 0.00 H new ATOM 0 HG2 LYS B 27 18.747 -1.460 3.537 1.00 0.00 H new ATOM 0 HG3 LYS B 27 19.044 0.238 3.219 1.00 0.00 H new ATOM 0 HD2 LYS B 27 19.537 -0.364 1.069 1.00 0.00 H new ATOM 0 HD3 LYS B 27 21.025 -1.050 1.690 1.00 0.00 H new ATOM 0 HE2 LYS B 27 19.994 -2.904 0.559 1.00 0.00 H new ATOM 0 HE3 LYS B 27 19.580 -3.191 2.238 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 17.440 -3.030 1.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 17.696 -1.367 1.365 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 17.859 -2.440 0.059 1.00 0.00 H new ATOM 1080 N LYS B 28 22.895 0.501 5.779 1.00 0.00 N ATOM 1081 CA LYS B 28 23.421 1.290 6.928 1.00 0.00 C ATOM 1082 C LYS B 28 24.359 2.376 6.397 1.00 0.00 C ATOM 1083 O LYS B 28 24.520 3.423 6.990 1.00 0.00 O ATOM 1084 CB LYS B 28 24.190 0.286 7.787 1.00 0.00 C ATOM 1085 CG LYS B 28 23.573 0.234 9.185 1.00 0.00 C ATOM 1086 CD LYS B 28 22.703 -1.018 9.309 1.00 0.00 C ATOM 1087 CE LYS B 28 23.597 -2.242 9.513 1.00 0.00 C ATOM 1088 NZ LYS B 28 22.689 -3.293 10.054 1.00 0.00 N ATOM 0 H LYS B 28 23.094 -0.499 5.810 1.00 0.00 H new ATOM 0 HA LYS B 28 22.635 1.781 7.501 1.00 0.00 H new ATOM 0 HB2 LYS B 28 24.159 -0.702 7.327 1.00 0.00 H new ATOM 0 HB3 LYS B 28 25.239 0.575 7.851 1.00 0.00 H new ATOM 0 HG2 LYS B 28 24.358 0.221 9.941 1.00 0.00 H new ATOM 0 HG3 LYS B 28 22.973 1.126 9.363 1.00 0.00 H new ATOM 0 HD2 LYS B 28 22.014 -0.914 10.147 1.00 0.00 H new ATOM 0 HD3 LYS B 28 22.097 -1.143 8.412 1.00 0.00 H new ATOM 0 HE2 LYS B 28 24.054 -2.559 8.575 1.00 0.00 H new ATOM 0 HE3 LYS B 28 24.410 -2.027 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 23.229 -4.166 10.221 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 22.274 -2.966 10.950 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 21.929 -3.481 9.369 1.00 0.00 H new ATOM 1102 N PHE B 29 24.961 2.132 5.263 1.00 0.00 N ATOM 1103 CA PHE B 29 25.872 3.142 4.656 1.00 0.00 C ATOM 1104 C PHE B 29 25.059 4.376 4.280 1.00 0.00 C ATOM 1105 O PHE B 29 25.325 5.473 4.731 1.00 0.00 O ATOM 1106 CB PHE B 29 26.433 2.459 3.403 1.00 0.00 C ATOM 1107 CG PHE B 29 27.618 1.559 3.734 1.00 0.00 C ATOM 1108 CD1 PHE B 29 28.051 1.363 5.074 1.00 0.00 C ATOM 1109 CD2 PHE B 29 28.298 0.907 2.679 1.00 0.00 C ATOM 1110 CE1 PHE B 29 29.155 0.523 5.345 1.00 0.00 C ATOM 1111 CE2 PHE B 29 29.401 0.069 2.955 1.00 0.00 C ATOM 1112 CZ PHE B 29 29.829 -0.122 4.286 1.00 0.00 C ATOM 0 H PHE B 29 24.859 1.269 4.729 1.00 0.00 H new ATOM 0 HA PHE B 29 26.669 3.463 5.327 1.00 0.00 H new ATOM 0 HB2 PHE B 29 25.649 1.869 2.929 1.00 0.00 H new ATOM 0 HB3 PHE B 29 26.742 3.217 2.683 1.00 0.00 H new ATOM 0 HD1 PHE B 29 27.536 1.856 5.885 1.00 0.00 H new ATOM 0 HD2 PHE B 29 27.973 1.050 1.659 1.00 0.00 H new ATOM 0 HE1 PHE B 29 29.483 0.375 6.363 1.00 0.00 H new ATOM 0 HE2 PHE B 29 29.918 -0.426 2.146 1.00 0.00 H new ATOM 0 HZ PHE B 29 30.673 -0.762 4.495 1.00 0.00 H new ATOM 1122 N HIS B 30 24.053 4.195 3.470 1.00 0.00 N ATOM 1123 CA HIS B 30 23.197 5.342 3.066 1.00 0.00 C ATOM 1124 C HIS B 30 22.678 6.067 4.310 1.00 0.00 C ATOM 1125 O HIS B 30 22.340 7.233 4.268 1.00 0.00 O ATOM 1126 CB HIS B 30 22.038 4.708 2.294 1.00 0.00 C ATOM 1127 CG HIS B 30 21.326 5.766 1.495 1.00 0.00 C ATOM 1128 ND1 HIS B 30 21.496 5.899 0.126 1.00 0.00 N ATOM 1129 CD2 HIS B 30 20.436 6.746 1.860 1.00 0.00 C ATOM 1130 CE1 HIS B 30 20.725 6.925 -0.280 1.00 0.00 C ATOM 1131 NE2 HIS B 30 20.058 7.476 0.738 1.00 0.00 N ATOM 0 H HIS B 30 23.787 3.296 3.069 1.00 0.00 H new ATOM 0 HA HIS B 30 23.735 6.077 2.467 1.00 0.00 H new ATOM 0 HB2 HIS B 30 22.413 3.928 1.631 1.00 0.00 H new ATOM 0 HB3 HIS B 30 21.344 4.232 2.986 1.00 0.00 H new ATOM 0 HD1 HIS B 30 22.096 5.324 -0.466 1.00 0.00 H new ATOM 0 HD2 HIS B 30 20.083 6.923 2.865 1.00 0.00 H new ATOM 0 HE1 HIS B 30 20.654 7.262 -1.304 1.00 0.00 H new ATOM 1139 N GLU B 31 22.607 5.377 5.416 1.00 0.00 N ATOM 1140 CA GLU B 31 22.102 6.018 6.665 1.00 0.00 C ATOM 1141 C GLU B 31 23.188 6.888 7.314 1.00 0.00 C ATOM 1142 O GLU B 31 22.908 7.946 7.841 1.00 0.00 O ATOM 1143 CB GLU B 31 21.734 4.853 7.583 1.00 0.00 C ATOM 1144 CG GLU B 31 20.219 4.832 7.798 1.00 0.00 C ATOM 1145 CD GLU B 31 19.529 4.338 6.525 1.00 0.00 C ATOM 1146 OE1 GLU B 31 19.917 4.778 5.455 1.00 0.00 O ATOM 1147 OE2 GLU B 31 18.624 3.527 6.642 1.00 0.00 O ATOM 0 H GLU B 31 22.877 4.398 5.509 1.00 0.00 H new ATOM 0 HA GLU B 31 21.255 6.676 6.469 1.00 0.00 H new ATOM 0 HB2 GLU B 31 22.063 3.911 7.143 1.00 0.00 H new ATOM 0 HB3 GLU B 31 22.247 4.954 8.540 1.00 0.00 H new ATOM 0 HG2 GLU B 31 19.969 4.181 8.636 1.00 0.00 H new ATOM 0 HG3 GLU B 31 19.863 5.830 8.053 1.00 0.00 H new ATOM 1154 N LEU B 32 24.420 6.451 7.295 1.00 0.00 N ATOM 1155 CA LEU B 32 25.500 7.261 7.928 1.00 0.00 C ATOM 1156 C LEU B 32 26.022 8.339 6.958 1.00 0.00 C ATOM 1157 O LEU B 32 26.840 9.161 7.321 1.00 0.00 O ATOM 1158 CB LEU B 32 26.593 6.235 8.308 1.00 0.00 C ATOM 1159 CG LEU B 32 27.559 5.983 7.139 1.00 0.00 C ATOM 1160 CD1 LEU B 32 28.835 6.803 7.346 1.00 0.00 C ATOM 1161 CD2 LEU B 32 27.926 4.499 7.076 1.00 0.00 C ATOM 0 H LEU B 32 24.723 5.574 6.871 1.00 0.00 H new ATOM 0 HA LEU B 32 25.152 7.810 8.803 1.00 0.00 H new ATOM 0 HB2 LEU B 32 27.151 6.599 9.171 1.00 0.00 H new ATOM 0 HB3 LEU B 32 26.125 5.296 8.604 1.00 0.00 H new ATOM 0 HG LEU B 32 27.074 6.277 6.208 1.00 0.00 H new ATOM 0 HD11 LEU B 32 29.520 6.625 6.517 1.00 0.00 H new ATOM 0 HD12 LEU B 32 28.584 7.863 7.388 1.00 0.00 H new ATOM 0 HD13 LEU B 32 29.311 6.506 8.281 1.00 0.00 H new ATOM 0 HD21 LEU B 32 28.611 4.328 6.245 1.00 0.00 H new ATOM 0 HD22 LEU B 32 28.406 4.203 8.009 1.00 0.00 H new ATOM 0 HD23 LEU B 32 27.023 3.907 6.929 1.00 0.00 H new ATOM 1173 N ILE B 33 25.566 8.341 5.732 1.00 0.00 N ATOM 1174 CA ILE B 33 26.058 9.368 4.760 1.00 0.00 C ATOM 1175 C ILE B 33 24.885 10.152 4.149 1.00 0.00 C ATOM 1176 O ILE B 33 25.079 11.133 3.459 1.00 0.00 O ATOM 1177 CB ILE B 33 26.810 8.568 3.684 1.00 0.00 C ATOM 1178 CG1 ILE B 33 25.800 7.750 2.855 1.00 0.00 C ATOM 1179 CG2 ILE B 33 27.818 7.642 4.377 1.00 0.00 C ATOM 1180 CD1 ILE B 33 26.514 6.734 1.951 1.00 0.00 C ATOM 0 H ILE B 33 24.880 7.683 5.362 1.00 0.00 H new ATOM 0 HA ILE B 33 26.699 10.109 5.237 1.00 0.00 H new ATOM 0 HB ILE B 33 27.344 9.240 3.012 1.00 0.00 H new ATOM 0 HG12 ILE B 33 25.116 7.227 3.524 1.00 0.00 H new ATOM 0 HG13 ILE B 33 25.198 8.423 2.245 1.00 0.00 H new ATOM 0 HG21 ILE B 33 28.360 7.067 3.626 1.00 0.00 H new ATOM 0 HG22 ILE B 33 28.523 8.239 4.955 1.00 0.00 H new ATOM 0 HG23 ILE B 33 27.288 6.961 5.043 1.00 0.00 H new ATOM 0 HD11 ILE B 33 25.775 6.173 1.379 1.00 0.00 H new ATOM 0 HD12 ILE B 33 27.179 7.260 1.266 1.00 0.00 H new ATOM 0 HD13 ILE B 33 27.096 6.047 2.565 1.00 0.00 H new ATOM 1192 N LYS B 34 23.672 9.727 4.391 1.00 0.00 N ATOM 1193 CA LYS B 34 22.500 10.451 3.817 1.00 0.00 C ATOM 1194 C LYS B 34 22.665 10.603 2.302 1.00 0.00 C ATOM 1195 O LYS B 34 23.640 10.160 1.729 1.00 0.00 O ATOM 1196 CB LYS B 34 22.503 11.820 4.499 1.00 0.00 C ATOM 1197 CG LYS B 34 21.062 12.250 4.785 1.00 0.00 C ATOM 1198 CD LYS B 34 20.629 11.706 6.148 1.00 0.00 C ATOM 1199 CE LYS B 34 21.324 12.498 7.257 1.00 0.00 C ATOM 1200 NZ LYS B 34 20.429 12.364 8.441 1.00 0.00 N ATOM 0 H LYS B 34 23.443 8.912 4.960 1.00 0.00 H new ATOM 0 HA LYS B 34 21.564 9.918 3.983 1.00 0.00 H new ATOM 0 HB2 LYS B 34 23.071 11.774 5.428 1.00 0.00 H new ATOM 0 HB3 LYS B 34 22.993 12.555 3.861 1.00 0.00 H new ATOM 0 HG2 LYS B 34 20.987 13.337 4.775 1.00 0.00 H new ATOM 0 HG3 LYS B 34 20.398 11.877 4.005 1.00 0.00 H new ATOM 0 HD2 LYS B 34 19.547 11.783 6.255 1.00 0.00 H new ATOM 0 HD3 LYS B 34 20.883 10.649 6.227 1.00 0.00 H new ATOM 0 HE2 LYS B 34 22.317 12.099 7.465 1.00 0.00 H new ATOM 0 HE3 LYS B 34 21.453 13.543 6.975 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 20.838 12.881 9.245 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 19.493 12.758 8.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 20.331 11.359 8.690 1.00 0.00 H new ATOM 1214 N GLY B 35 21.721 11.224 1.650 1.00 0.00 N ATOM 1215 CA GLY B 35 21.828 11.401 0.174 1.00 0.00 C ATOM 1216 C GLY B 35 21.140 12.705 -0.235 1.00 0.00 C ATOM 1217 O GLY B 35 19.920 12.733 -0.234 1.00 0.00 O ATOM 1218 OXT GLY B 35 21.844 13.652 -0.544 1.00 0.00 O ATOM 0 H GLY B 35 20.881 11.616 2.075 1.00 0.00 H new ATOM 0 HA2 GLY B 35 22.876 11.421 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY B 35 21.366 10.557 -0.339 1.00 0.00 H new TER 1222 GLY B 35