USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 618 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0178 (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=-0.00119 (180deg=-0.00119) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -9.48! C(o=-9.5!,f=-8.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 135:sc= 0.0165 (180deg=0) USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 HIS : no HE2:sc= -9.43! C(o=-9.4!,f=-8.8!) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 42.122 -2.684 11.218 1.00 0.00 N ATOM 2 CA GLY A 1 41.166 -2.655 10.076 1.00 0.00 C ATOM 3 C GLY A 1 41.043 -1.223 9.550 1.00 0.00 C ATOM 4 O GLY A 1 41.017 -0.273 10.307 1.00 0.00 O ATOM 0 H1 GLY A 1 41.798 -3.375 11.924 1.00 0.00 H new ATOM 0 H2 GLY A 1 43.065 -2.956 10.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 42.171 -1.741 11.654 1.00 0.00 H new ATOM 0 HA2 GLY A 1 41.511 -3.317 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 1 40.190 -3.022 10.395 1.00 0.00 H new ATOM 10 N GLU A 2 40.968 -1.062 8.257 1.00 0.00 N ATOM 11 CA GLU A 2 40.847 0.309 7.681 1.00 0.00 C ATOM 12 C GLU A 2 39.508 0.471 6.950 1.00 0.00 C ATOM 13 O GLU A 2 39.125 1.562 6.579 1.00 0.00 O ATOM 14 CB GLU A 2 42.012 0.428 6.698 1.00 0.00 C ATOM 15 CG GLU A 2 43.137 1.246 7.335 1.00 0.00 C ATOM 16 CD GLU A 2 44.479 0.822 6.736 1.00 0.00 C ATOM 17 OE1 GLU A 2 44.567 -0.300 6.265 1.00 0.00 O ATOM 18 OE2 GLU A 2 45.396 1.627 6.757 1.00 0.00 O ATOM 0 H GLU A 2 40.985 -1.820 7.574 1.00 0.00 H new ATOM 0 HA GLU A 2 40.878 1.081 8.450 1.00 0.00 H new ATOM 0 HB2 GLU A 2 42.377 -0.563 6.428 1.00 0.00 H new ATOM 0 HB3 GLU A 2 41.677 0.906 5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 2 42.970 2.309 7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 2 43.145 1.095 8.414 1.00 0.00 H new ATOM 25 N VAL A 3 38.792 -0.603 6.738 1.00 0.00 N ATOM 26 CA VAL A 3 37.482 -0.500 6.031 1.00 0.00 C ATOM 27 C VAL A 3 36.501 0.357 6.841 1.00 0.00 C ATOM 28 O VAL A 3 35.501 0.822 6.331 1.00 0.00 O ATOM 29 CB VAL A 3 36.980 -1.940 5.925 1.00 0.00 C ATOM 30 CG1 VAL A 3 36.714 -2.500 7.325 1.00 0.00 C ATOM 31 CG2 VAL A 3 35.686 -1.972 5.108 1.00 0.00 C ATOM 0 H VAL A 3 39.058 -1.545 7.024 1.00 0.00 H new ATOM 0 HA VAL A 3 37.576 -0.026 5.054 1.00 0.00 H new ATOM 0 HB VAL A 3 37.737 -2.549 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 3 36.356 -3.526 7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 3 37.636 -2.482 7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 3 35.960 -1.891 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 3 35.329 -2.999 5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 3 34.930 -1.360 5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 3 35.877 -1.580 4.109 1.00 0.00 H new ATOM 41 N GLU A 4 36.780 0.567 8.099 1.00 0.00 N ATOM 42 CA GLU A 4 35.865 1.392 8.939 1.00 0.00 C ATOM 43 C GLU A 4 35.678 2.781 8.320 1.00 0.00 C ATOM 44 O GLU A 4 34.743 3.488 8.635 1.00 0.00 O ATOM 45 CB GLU A 4 36.561 1.500 10.296 1.00 0.00 C ATOM 46 CG GLU A 4 35.611 1.020 11.395 1.00 0.00 C ATOM 47 CD GLU A 4 35.772 1.907 12.631 1.00 0.00 C ATOM 48 OE1 GLU A 4 36.815 2.527 12.759 1.00 0.00 O ATOM 49 OE2 GLU A 4 34.850 1.951 13.428 1.00 0.00 O ATOM 0 H GLU A 4 37.602 0.203 8.581 1.00 0.00 H new ATOM 0 HA GLU A 4 34.873 0.948 9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 4 37.471 0.900 10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 4 36.859 2.532 10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 4 34.581 1.055 11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 4 35.826 -0.018 11.649 1.00 0.00 H new ATOM 56 N GLU A 5 36.560 3.178 7.444 1.00 0.00 N ATOM 57 CA GLU A 5 36.429 4.521 6.812 1.00 0.00 C ATOM 58 C GLU A 5 35.295 4.517 5.784 1.00 0.00 C ATOM 59 O GLU A 5 34.458 5.396 5.772 1.00 0.00 O ATOM 60 CB GLU A 5 37.773 4.766 6.127 1.00 0.00 C ATOM 61 CG GLU A 5 38.813 5.172 7.174 1.00 0.00 C ATOM 62 CD GLU A 5 39.818 6.140 6.546 1.00 0.00 C ATOM 63 OE1 GLU A 5 39.406 6.937 5.719 1.00 0.00 O ATOM 64 OE2 GLU A 5 40.982 6.068 6.903 1.00 0.00 O ATOM 0 H GLU A 5 37.365 2.631 7.139 1.00 0.00 H new ATOM 0 HA GLU A 5 36.192 5.298 7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 5 38.098 3.865 5.607 1.00 0.00 H new ATOM 0 HB3 GLU A 5 37.673 5.549 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 5 38.322 5.642 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 5 39.329 4.289 7.551 1.00 0.00 H new ATOM 71 N LEU A 6 35.257 3.537 4.922 1.00 0.00 N ATOM 72 CA LEU A 6 34.169 3.495 3.905 1.00 0.00 C ATOM 73 C LEU A 6 32.825 3.225 4.602 1.00 0.00 C ATOM 74 O LEU A 6 31.779 3.623 4.130 1.00 0.00 O ATOM 75 CB LEU A 6 34.591 2.379 2.912 1.00 0.00 C ATOM 76 CG LEU A 6 33.792 1.078 3.109 1.00 0.00 C ATOM 77 CD1 LEU A 6 32.395 1.235 2.504 1.00 0.00 C ATOM 78 CD2 LEU A 6 34.515 -0.074 2.403 1.00 0.00 C ATOM 0 H LEU A 6 35.927 2.769 4.878 1.00 0.00 H new ATOM 0 HA LEU A 6 34.030 4.433 3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 6 34.453 2.735 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 6 35.654 2.171 3.036 1.00 0.00 H new ATOM 0 HG LEU A 6 33.707 0.866 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.832 0.313 2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.875 2.056 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 6 32.482 1.448 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 6 33.951 -0.997 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 6 34.597 0.146 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 6 35.512 -0.192 2.827 1.00 0.00 H new ATOM 90 N GLU A 7 32.856 2.567 5.730 1.00 0.00 N ATOM 91 CA GLU A 7 31.589 2.282 6.467 1.00 0.00 C ATOM 92 C GLU A 7 31.020 3.575 7.054 1.00 0.00 C ATOM 93 O GLU A 7 29.861 3.904 6.866 1.00 0.00 O ATOM 94 CB GLU A 7 31.992 1.330 7.591 1.00 0.00 C ATOM 95 CG GLU A 7 30.741 0.662 8.166 1.00 0.00 C ATOM 96 CD GLU A 7 31.149 -0.549 9.009 1.00 0.00 C ATOM 97 OE1 GLU A 7 32.064 -1.247 8.605 1.00 0.00 O ATOM 98 OE2 GLU A 7 30.539 -0.757 10.045 1.00 0.00 O ATOM 0 H GLU A 7 33.704 2.214 6.174 1.00 0.00 H new ATOM 0 HA GLU A 7 30.823 1.855 5.819 1.00 0.00 H new ATOM 0 HB2 GLU A 7 32.680 0.574 7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 7 32.518 1.876 8.374 1.00 0.00 H new ATOM 0 HG2 GLU A 7 30.185 1.373 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 7 30.079 0.350 7.358 1.00 0.00 H new ATOM 105 N LYS A 8 31.827 4.311 7.765 1.00 0.00 N ATOM 106 CA LYS A 8 31.334 5.583 8.362 1.00 0.00 C ATOM 107 C LYS A 8 30.848 6.510 7.256 1.00 0.00 C ATOM 108 O LYS A 8 29.761 7.040 7.316 1.00 0.00 O ATOM 109 CB LYS A 8 32.536 6.184 9.091 1.00 0.00 C ATOM 110 CG LYS A 8 32.084 6.743 10.442 1.00 0.00 C ATOM 111 CD LYS A 8 32.620 5.855 11.567 1.00 0.00 C ATOM 112 CE LYS A 8 32.729 6.674 12.855 1.00 0.00 C ATOM 113 NZ LYS A 8 33.409 5.770 13.826 1.00 0.00 N ATOM 0 H LYS A 8 32.803 4.088 7.958 1.00 0.00 H new ATOM 0 HA LYS A 8 30.498 5.428 9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 8 33.303 5.424 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 8 32.982 6.975 8.489 1.00 0.00 H new ATOM 0 HG2 LYS A 8 32.447 7.763 10.565 1.00 0.00 H new ATOM 0 HG3 LYS A 8 30.996 6.785 10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 8 31.957 5.003 11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 8 33.596 5.454 11.295 1.00 0.00 H new ATOM 0 HE2 LYS A 8 33.303 7.587 12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 8 31.746 6.975 13.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 33.521 6.260 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 32.836 4.913 13.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 34.345 5.506 13.458 1.00 0.00 H new ATOM 127 N LYS A 9 31.632 6.690 6.235 1.00 0.00 N ATOM 128 CA LYS A 9 31.192 7.562 5.113 1.00 0.00 C ATOM 129 C LYS A 9 29.905 6.990 4.518 1.00 0.00 C ATOM 130 O LYS A 9 29.117 7.690 3.917 1.00 0.00 O ATOM 131 CB LYS A 9 32.333 7.507 4.096 1.00 0.00 C ATOM 132 CG LYS A 9 33.260 8.705 4.306 1.00 0.00 C ATOM 133 CD LYS A 9 34.606 8.434 3.632 1.00 0.00 C ATOM 134 CE LYS A 9 35.367 9.750 3.465 1.00 0.00 C ATOM 135 NZ LYS A 9 36.525 9.643 4.397 1.00 0.00 N ATOM 0 H LYS A 9 32.557 6.273 6.127 1.00 0.00 H new ATOM 0 HA LYS A 9 30.986 8.587 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 9 32.891 6.577 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 9 31.932 7.517 3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 9 32.808 9.605 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 9 33.404 8.884 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 9 35.191 7.737 4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 9 34.450 7.966 2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 9 35.699 9.887 2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 9 34.738 10.605 3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 37.097 10.510 4.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 36.178 9.520 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 37.109 8.824 4.132 1.00 0.00 H new ATOM 149 N PHE A 10 29.696 5.711 4.688 1.00 0.00 N ATOM 150 CA PHE A 10 28.470 5.059 4.147 1.00 0.00 C ATOM 151 C PHE A 10 27.205 5.634 4.799 1.00 0.00 C ATOM 152 O PHE A 10 26.394 6.272 4.151 1.00 0.00 O ATOM 153 CB PHE A 10 28.635 3.582 4.520 1.00 0.00 C ATOM 154 CG PHE A 10 27.973 2.705 3.490 1.00 0.00 C ATOM 155 CD1 PHE A 10 28.584 2.507 2.232 1.00 0.00 C ATOM 156 CD2 PHE A 10 26.750 2.065 3.791 1.00 0.00 C ATOM 157 CE1 PHE A 10 27.970 1.673 1.274 1.00 0.00 C ATOM 158 CE2 PHE A 10 26.138 1.226 2.835 1.00 0.00 C ATOM 159 CZ PHE A 10 26.749 1.032 1.574 1.00 0.00 C ATOM 0 H PHE A 10 30.330 5.085 5.184 1.00 0.00 H new ATOM 0 HA PHE A 10 28.360 5.217 3.074 1.00 0.00 H new ATOM 0 HB2 PHE A 10 29.694 3.334 4.592 1.00 0.00 H new ATOM 0 HB3 PHE A 10 28.197 3.397 5.501 1.00 0.00 H new ATOM 0 HD1 PHE A 10 29.521 2.994 2.004 1.00 0.00 H new ATOM 0 HD2 PHE A 10 26.283 2.218 4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 10 28.435 1.525 0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 10 25.205 0.733 3.066 1.00 0.00 H new ATOM 0 HZ PHE A 10 26.281 0.393 0.840 1.00 0.00 H new ATOM 169 N LYS A 11 27.017 5.403 6.073 1.00 0.00 N ATOM 170 CA LYS A 11 25.783 5.927 6.740 1.00 0.00 C ATOM 171 C LYS A 11 25.777 7.456 6.755 1.00 0.00 C ATOM 172 O LYS A 11 24.734 8.085 6.734 1.00 0.00 O ATOM 173 CB LYS A 11 25.791 5.371 8.170 1.00 0.00 C ATOM 174 CG LYS A 11 27.166 5.553 8.816 1.00 0.00 C ATOM 175 CD LYS A 11 27.860 4.194 8.881 1.00 0.00 C ATOM 176 CE LYS A 11 27.534 3.516 10.213 1.00 0.00 C ATOM 177 NZ LYS A 11 27.113 2.136 9.843 1.00 0.00 N ATOM 0 H LYS A 11 27.654 4.882 6.675 1.00 0.00 H new ATOM 0 HA LYS A 11 24.888 5.615 6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 11 25.034 5.879 8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 11 25.528 4.313 8.155 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.765 6.256 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 11 27.061 5.972 9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 11 27.532 3.567 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 11 28.938 4.319 8.779 1.00 0.00 H new ATOM 0 HE2 LYS A 11 28.402 3.502 10.873 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.740 4.044 10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 26.872 1.604 10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.282 2.182 9.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 27.891 1.657 9.347 1.00 0.00 H new ATOM 191 N GLU A 12 26.927 8.056 6.786 1.00 0.00 N ATOM 192 CA GLU A 12 26.993 9.541 6.802 1.00 0.00 C ATOM 193 C GLU A 12 26.662 10.096 5.419 1.00 0.00 C ATOM 194 O GLU A 12 26.259 11.234 5.278 1.00 0.00 O ATOM 195 CB GLU A 12 28.435 9.870 7.183 1.00 0.00 C ATOM 196 CG GLU A 12 28.529 10.068 8.697 1.00 0.00 C ATOM 197 CD GLU A 12 29.253 11.382 8.996 1.00 0.00 C ATOM 198 OE1 GLU A 12 28.592 12.408 9.017 1.00 0.00 O ATOM 199 OE2 GLU A 12 30.455 11.341 9.198 1.00 0.00 O ATOM 0 H GLU A 12 27.830 7.582 6.801 1.00 0.00 H new ATOM 0 HA GLU A 12 26.279 9.980 7.499 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.098 9.064 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.762 10.772 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 12 27.531 10.083 9.135 1.00 0.00 H new ATOM 0 HG3 GLU A 12 29.064 9.234 9.151 1.00 0.00 H new ATOM 206 N LEU A 13 26.823 9.305 4.393 1.00 0.00 N ATOM 207 CA LEU A 13 26.506 9.806 3.029 1.00 0.00 C ATOM 208 C LEU A 13 24.994 9.770 2.807 1.00 0.00 C ATOM 209 O LEU A 13 24.420 10.678 2.240 1.00 0.00 O ATOM 210 CB LEU A 13 27.229 8.865 2.067 1.00 0.00 C ATOM 211 CG LEU A 13 28.542 9.516 1.623 1.00 0.00 C ATOM 212 CD1 LEU A 13 29.386 8.499 0.857 1.00 0.00 C ATOM 213 CD2 LEU A 13 28.241 10.710 0.714 1.00 0.00 C ATOM 0 H LEU A 13 27.157 8.343 4.441 1.00 0.00 H new ATOM 0 HA LEU A 13 26.826 10.837 2.879 1.00 0.00 H new ATOM 0 HB2 LEU A 13 27.428 7.910 2.553 1.00 0.00 H new ATOM 0 HB3 LEU A 13 26.601 8.657 1.201 1.00 0.00 H new ATOM 0 HG LEU A 13 29.090 9.855 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 13 30.320 8.965 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 13 29.604 7.648 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 13 28.837 8.158 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 13 29.176 11.172 0.399 1.00 0.00 H new ATOM 0 HD22 LEU A 13 27.691 10.370 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 13 27.641 11.439 1.258 1.00 0.00 H new ATOM 225 N TRP A 14 24.339 8.736 3.264 1.00 0.00 N ATOM 226 CA TRP A 14 22.858 8.668 3.086 1.00 0.00 C ATOM 227 C TRP A 14 22.197 9.813 3.844 1.00 0.00 C ATOM 228 O TRP A 14 21.351 10.515 3.326 1.00 0.00 O ATOM 229 CB TRP A 14 22.436 7.333 3.692 1.00 0.00 C ATOM 230 CG TRP A 14 22.082 6.386 2.600 1.00 0.00 C ATOM 231 CD1 TRP A 14 20.920 6.376 1.900 1.00 0.00 C ATOM 232 CD2 TRP A 14 22.887 5.311 2.069 1.00 0.00 C ATOM 233 NE1 TRP A 14 20.967 5.354 0.972 1.00 0.00 N ATOM 234 CE2 TRP A 14 22.159 4.669 1.035 1.00 0.00 C ATOM 235 CE3 TRP A 14 24.176 4.830 2.382 1.00 0.00 C ATOM 236 CZ2 TRP A 14 22.697 3.584 0.337 1.00 0.00 C ATOM 237 CZ3 TRP A 14 24.725 3.742 1.685 1.00 0.00 C ATOM 238 CH2 TRP A 14 23.991 3.116 0.662 1.00 0.00 C ATOM 0 H TRP A 14 24.759 7.943 3.748 1.00 0.00 H new ATOM 0 HA TRP A 14 22.567 8.749 2.039 1.00 0.00 H new ATOM 0 HB2 TRP A 14 23.245 6.923 4.296 1.00 0.00 H new ATOM 0 HB3 TRP A 14 21.583 7.475 4.356 1.00 0.00 H new ATOM 0 HD1 TRP A 14 20.093 7.056 2.045 1.00 0.00 H new ATOM 0 HE1 TRP A 14 20.213 5.134 0.321 1.00 0.00 H new ATOM 0 HE3 TRP A 14 24.747 5.304 3.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 22.127 3.106 -0.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 25.713 3.385 1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 14 24.415 2.280 0.126 1.00 0.00 H new ATOM 249 N LYS A 15 22.577 10.002 5.076 1.00 0.00 N ATOM 250 CA LYS A 15 21.972 11.096 5.881 1.00 0.00 C ATOM 251 C LYS A 15 22.940 12.280 5.965 1.00 0.00 C ATOM 252 O LYS A 15 23.703 12.411 6.901 1.00 0.00 O ATOM 253 CB LYS A 15 21.739 10.467 7.252 1.00 0.00 C ATOM 254 CG LYS A 15 21.184 11.518 8.217 1.00 0.00 C ATOM 255 CD LYS A 15 19.658 11.427 8.246 1.00 0.00 C ATOM 256 CE LYS A 15 19.180 11.345 9.697 1.00 0.00 C ATOM 257 NZ LYS A 15 18.124 10.293 9.691 1.00 0.00 N ATOM 0 H LYS A 15 23.281 9.445 5.560 1.00 0.00 H new ATOM 0 HA LYS A 15 21.049 11.486 5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 15 21.041 9.634 7.166 1.00 0.00 H new ATOM 0 HB3 LYS A 15 22.673 10.061 7.640 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.588 11.359 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.494 12.515 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.222 12.298 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.325 10.550 7.692 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.997 11.081 10.368 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.784 12.302 10.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.745 10.176 10.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.357 10.575 9.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.533 9.393 9.369 1.00 0.00 H new ATOM 271 N GLY A 16 22.914 13.140 4.983 1.00 0.00 N ATOM 272 CA GLY A 16 23.829 14.316 4.983 1.00 0.00 C ATOM 273 C GLY A 16 23.959 14.844 3.550 1.00 0.00 C ATOM 274 O GLY A 16 23.185 15.678 3.124 1.00 0.00 O ATOM 0 H GLY A 16 22.294 13.077 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 16 23.441 15.096 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 16 24.808 14.032 5.370 1.00 0.00 H new ATOM 278 N PRO A 17 24.935 14.328 2.847 1.00 0.00 N ATOM 279 CA PRO A 17 25.165 14.742 1.443 1.00 0.00 C ATOM 280 C PRO A 17 24.120 14.074 0.537 1.00 0.00 C ATOM 281 O PRO A 17 23.044 13.730 0.985 1.00 0.00 O ATOM 282 CB PRO A 17 26.573 14.229 1.151 1.00 0.00 C ATOM 283 CG PRO A 17 26.782 13.087 2.093 1.00 0.00 C ATOM 284 CD PRO A 17 25.906 13.323 3.296 1.00 0.00 C ATOM 0 HA PRO A 17 25.076 15.815 1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 17 26.666 13.905 0.114 1.00 0.00 H new ATOM 0 HB3 PRO A 17 27.317 15.010 1.309 1.00 0.00 H new ATOM 0 HG2 PRO A 17 26.526 12.143 1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 17 27.829 13.021 2.389 1.00 0.00 H new ATOM 0 HD2 PRO A 17 25.411 12.405 3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 17 26.486 13.682 4.146 1.00 0.00 H new ATOM 292 N ARG A 18 24.411 13.885 -0.727 1.00 0.00 N ATOM 293 CA ARG A 18 23.409 13.232 -1.622 1.00 0.00 C ATOM 294 C ARG A 18 22.966 11.893 -1.020 1.00 0.00 C ATOM 295 O ARG A 18 23.358 11.532 0.072 1.00 0.00 O ATOM 296 CB ARG A 18 24.125 13.042 -2.979 1.00 0.00 C ATOM 297 CG ARG A 18 24.992 11.765 -2.995 1.00 0.00 C ATOM 298 CD ARG A 18 26.217 11.961 -2.107 1.00 0.00 C ATOM 299 NE ARG A 18 26.971 13.072 -2.757 1.00 0.00 N ATOM 300 CZ ARG A 18 27.655 13.914 -2.034 1.00 0.00 C ATOM 301 NH1 ARG A 18 28.504 13.473 -1.146 1.00 0.00 N ATOM 302 NH2 ARG A 18 27.488 15.198 -2.195 1.00 0.00 N ATOM 0 H ARG A 18 25.289 14.152 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 18 22.506 13.830 -1.744 1.00 0.00 H new ATOM 0 HB2 ARG A 18 23.384 12.988 -3.777 1.00 0.00 H new ATOM 0 HB3 ARG A 18 24.752 13.910 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 18 24.409 10.914 -2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 18 25.303 11.538 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 18 25.932 12.218 -1.087 1.00 0.00 H new ATOM 0 HD3 ARG A 18 26.817 11.053 -2.051 1.00 0.00 H new ATOM 0 HE ARG A 18 26.951 13.173 -3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 18 28.632 12.469 -1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 18 29.039 14.132 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 18 26.822 15.543 -2.887 1.00 0.00 H new ATOM 0 HH22 ARG A 18 28.023 15.857 -1.629 1.00 0.00 H new ATOM 316 N ARG A 19 22.165 11.148 -1.727 1.00 0.00 N ATOM 317 CA ARG A 19 21.720 9.835 -1.186 1.00 0.00 C ATOM 318 C ARG A 19 21.460 8.847 -2.326 1.00 0.00 C ATOM 319 O ARG A 19 21.809 7.687 -2.244 1.00 0.00 O ATOM 320 CB ARG A 19 20.427 10.137 -0.429 1.00 0.00 C ATOM 321 CG ARG A 19 19.870 8.843 0.167 1.00 0.00 C ATOM 322 CD ARG A 19 18.353 8.806 -0.025 1.00 0.00 C ATOM 323 NE ARG A 19 18.013 7.358 -0.110 1.00 0.00 N ATOM 324 CZ ARG A 19 16.803 6.955 0.168 1.00 0.00 C ATOM 325 NH1 ARG A 19 16.417 6.857 1.410 1.00 0.00 N ATOM 326 NH2 ARG A 19 15.980 6.650 -0.798 1.00 0.00 N ATOM 0 H ARG A 19 21.801 11.389 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 19 22.472 9.379 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 19 20.617 10.862 0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 19 19.695 10.584 -1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.330 7.980 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.115 8.783 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.838 9.285 0.808 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.056 9.335 -0.930 1.00 0.00 H new ATOM 0 HE ARG A 19 18.725 6.682 -0.385 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.061 7.095 2.164 1.00 0.00 H new ATOM 0 HH12 ARG A 19 15.471 6.542 1.627 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.283 6.727 -1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 19 15.034 6.335 -0.582 1.00 0.00 H new ATOM 340 N GLY A 20 20.849 9.295 -3.388 1.00 0.00 N ATOM 341 CA GLY A 20 20.569 8.377 -4.527 1.00 0.00 C ATOM 342 C GLY A 20 21.888 7.866 -5.110 1.00 0.00 C ATOM 343 O GLY A 20 22.022 6.704 -5.441 1.00 0.00 O ATOM 0 H GLY A 20 20.532 10.256 -3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.959 7.538 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 20 19.998 8.898 -5.295 1.00 0.00 H new ATOM 347 N GLU A 21 22.863 8.723 -5.241 1.00 0.00 N ATOM 348 CA GLU A 21 24.171 8.283 -5.805 1.00 0.00 C ATOM 349 C GLU A 21 24.855 7.298 -4.854 1.00 0.00 C ATOM 350 O GLU A 21 25.626 6.454 -5.267 1.00 0.00 O ATOM 351 CB GLU A 21 24.996 9.563 -5.936 1.00 0.00 C ATOM 352 CG GLU A 21 25.118 9.938 -7.414 1.00 0.00 C ATOM 353 CD GLU A 21 24.720 11.403 -7.603 1.00 0.00 C ATOM 354 OE1 GLU A 21 23.542 11.656 -7.794 1.00 0.00 O ATOM 355 OE2 GLU A 21 25.599 12.247 -7.555 1.00 0.00 O ATOM 0 H GLU A 21 22.811 9.708 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 21 24.057 7.772 -6.761 1.00 0.00 H new ATOM 0 HB2 GLU A 21 24.522 10.373 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 21 25.986 9.417 -5.503 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.141 9.781 -7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 21 24.477 9.295 -8.017 1.00 0.00 H new ATOM 362 N ILE A 22 24.579 7.396 -3.582 1.00 0.00 N ATOM 363 CA ILE A 22 25.215 6.461 -2.610 1.00 0.00 C ATOM 364 C ILE A 22 24.609 5.067 -2.759 1.00 0.00 C ATOM 365 O ILE A 22 25.298 4.104 -3.032 1.00 0.00 O ATOM 366 CB ILE A 22 24.900 7.040 -1.226 1.00 0.00 C ATOM 367 CG1 ILE A 22 25.316 8.514 -1.161 1.00 0.00 C ATOM 368 CG2 ILE A 22 25.663 6.250 -0.161 1.00 0.00 C ATOM 369 CD1 ILE A 22 26.761 8.672 -1.640 1.00 0.00 C ATOM 0 H ILE A 22 23.942 8.081 -3.174 1.00 0.00 H new ATOM 0 HA ILE A 22 26.289 6.365 -2.770 1.00 0.00 H new ATOM 0 HB ILE A 22 23.828 6.966 -1.045 1.00 0.00 H new ATOM 0 HG12 ILE A 22 24.651 9.116 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.220 8.883 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.441 6.659 0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.359 5.204 -0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.734 6.323 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 22 27.048 9.722 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 22 27.422 8.085 -1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.844 8.322 -2.669 1.00 0.00 H new ATOM 381 N GLU A 23 23.324 4.954 -2.590 1.00 0.00 N ATOM 382 CA GLU A 23 22.671 3.629 -2.730 1.00 0.00 C ATOM 383 C GLU A 23 22.957 3.067 -4.122 1.00 0.00 C ATOM 384 O GLU A 23 22.984 1.866 -4.328 1.00 0.00 O ATOM 385 CB GLU A 23 21.184 3.920 -2.507 1.00 0.00 C ATOM 386 CG GLU A 23 20.376 2.632 -2.588 1.00 0.00 C ATOM 387 CD GLU A 23 19.505 2.650 -3.845 1.00 0.00 C ATOM 388 OE1 GLU A 23 18.466 3.290 -3.813 1.00 0.00 O ATOM 389 OE2 GLU A 23 19.890 2.025 -4.819 1.00 0.00 O ATOM 0 H GLU A 23 22.697 5.725 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 23 23.032 2.879 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 23 21.040 4.387 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 23 20.829 4.628 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 23 21.045 1.772 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 23 19.750 2.527 -1.702 1.00 0.00 H new ATOM 396 N GLU A 24 23.216 3.921 -5.072 1.00 0.00 N ATOM 397 CA GLU A 24 23.548 3.425 -6.432 1.00 0.00 C ATOM 398 C GLU A 24 24.906 2.728 -6.366 1.00 0.00 C ATOM 399 O GLU A 24 25.114 1.675 -6.940 1.00 0.00 O ATOM 400 CB GLU A 24 23.616 4.674 -7.313 1.00 0.00 C ATOM 401 CG GLU A 24 24.121 4.291 -8.706 1.00 0.00 C ATOM 402 CD GLU A 24 23.672 5.345 -9.720 1.00 0.00 C ATOM 403 OE1 GLU A 24 23.828 6.520 -9.432 1.00 0.00 O ATOM 404 OE2 GLU A 24 23.178 4.959 -10.767 1.00 0.00 O ATOM 0 H GLU A 24 23.212 4.935 -4.965 1.00 0.00 H new ATOM 0 HA GLU A 24 22.821 2.714 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 24 22.631 5.134 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 24 24.280 5.412 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 24 25.208 4.215 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 24 23.734 3.312 -8.988 1.00 0.00 H new ATOM 411 N LEU A 25 25.826 3.308 -5.644 1.00 0.00 N ATOM 412 CA LEU A 25 27.170 2.684 -5.508 1.00 0.00 C ATOM 413 C LEU A 25 27.041 1.343 -4.791 1.00 0.00 C ATOM 414 O LEU A 25 27.831 0.451 -4.993 1.00 0.00 O ATOM 415 CB LEU A 25 28.000 3.652 -4.659 1.00 0.00 C ATOM 416 CG LEU A 25 29.358 3.927 -5.330 1.00 0.00 C ATOM 417 CD1 LEU A 25 30.288 4.613 -4.326 1.00 0.00 C ATOM 418 CD2 LEU A 25 30.004 2.613 -5.792 1.00 0.00 C ATOM 0 H LEU A 25 25.703 4.188 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 25 27.634 2.505 -6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 25 27.456 4.588 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 25 28.157 3.232 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 25 29.198 4.569 -6.196 1.00 0.00 H new ATOM 0 HD11 LEU A 25 31.251 4.809 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 25 29.844 5.554 -4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 25 30.433 3.964 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 25 30.963 2.825 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 25 30.159 1.962 -4.932 1.00 0.00 H new ATOM 0 HD23 LEU A 25 29.349 2.118 -6.508 1.00 0.00 H new ATOM 430 N HIS A 26 26.048 1.192 -3.954 1.00 0.00 N ATOM 431 CA HIS A 26 25.881 -0.105 -3.240 1.00 0.00 C ATOM 432 C HIS A 26 25.526 -1.196 -4.250 1.00 0.00 C ATOM 433 O HIS A 26 26.141 -2.243 -4.286 1.00 0.00 O ATOM 434 CB HIS A 26 24.743 0.113 -2.243 1.00 0.00 C ATOM 435 CG HIS A 26 24.409 -1.195 -1.576 1.00 0.00 C ATOM 436 ND1 HIS A 26 25.231 -1.777 -0.623 1.00 0.00 N ATOM 437 CD2 HIS A 26 23.349 -2.047 -1.725 1.00 0.00 C ATOM 438 CE1 HIS A 26 24.650 -2.931 -0.239 1.00 0.00 C ATOM 439 NE2 HIS A 26 23.500 -3.142 -0.882 1.00 0.00 N ATOM 0 H HIS A 26 25.352 1.905 -3.736 1.00 0.00 H new ATOM 0 HA HIS A 26 26.790 -0.420 -2.727 1.00 0.00 H new ATOM 0 HB2 HIS A 26 25.035 0.851 -1.496 1.00 0.00 H new ATOM 0 HB3 HIS A 26 23.866 0.508 -2.755 1.00 0.00 H new ATOM 0 HD1 HIS A 26 26.113 -1.401 -0.276 1.00 0.00 H new ATOM 0 HD2 HIS A 26 22.518 -1.892 -2.398 1.00 0.00 H new ATOM 0 HE1 HIS A 26 25.064 -3.602 0.499 1.00 0.00 H new ATOM 447 N LYS A 27 24.553 -0.956 -5.087 1.00 0.00 N ATOM 448 CA LYS A 27 24.189 -1.986 -6.104 1.00 0.00 C ATOM 449 C LYS A 27 25.442 -2.380 -6.893 1.00 0.00 C ATOM 450 O LYS A 27 25.683 -3.541 -7.168 1.00 0.00 O ATOM 451 CB LYS A 27 23.165 -1.306 -7.015 1.00 0.00 C ATOM 452 CG LYS A 27 22.041 -2.291 -7.343 1.00 0.00 C ATOM 453 CD LYS A 27 20.916 -2.143 -6.316 1.00 0.00 C ATOM 454 CE LYS A 27 20.060 -0.925 -6.669 1.00 0.00 C ATOM 455 NZ LYS A 27 18.758 -1.492 -7.121 1.00 0.00 N ATOM 0 H LYS A 27 23.999 -0.100 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 27 23.783 -2.895 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 27 22.757 -0.422 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 27 23.646 -0.968 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 27 21.659 -2.102 -8.346 1.00 0.00 H new ATOM 0 HG3 LYS A 27 22.424 -3.312 -7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 27 20.300 -3.042 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 27 21.335 -2.029 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.929 -0.271 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 27 20.525 -0.329 -7.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.114 -0.718 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.914 -2.105 -7.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.336 -2.049 -6.351 1.00 0.00 H new ATOM 469 N LYS A 28 26.252 -1.418 -7.240 1.00 0.00 N ATOM 470 CA LYS A 28 27.499 -1.735 -7.990 1.00 0.00 C ATOM 471 C LYS A 28 28.389 -2.644 -7.138 1.00 0.00 C ATOM 472 O LYS A 28 28.933 -3.618 -7.615 1.00 0.00 O ATOM 473 CB LYS A 28 28.177 -0.385 -8.226 1.00 0.00 C ATOM 474 CG LYS A 28 29.128 -0.493 -9.420 1.00 0.00 C ATOM 475 CD LYS A 28 28.815 0.620 -10.423 1.00 0.00 C ATOM 476 CE LYS A 28 29.741 0.491 -11.634 1.00 0.00 C ATOM 477 NZ LYS A 28 29.089 1.303 -12.700 1.00 0.00 N ATOM 0 H LYS A 28 26.105 -0.429 -7.037 1.00 0.00 H new ATOM 0 HA LYS A 28 27.305 -2.255 -8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 28 27.427 0.383 -8.414 1.00 0.00 H new ATOM 0 HB3 LYS A 28 28.727 -0.082 -7.335 1.00 0.00 H new ATOM 0 HG2 LYS A 28 30.162 -0.414 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 28 29.021 -1.467 -9.897 1.00 0.00 H new ATOM 0 HD2 LYS A 28 27.774 0.557 -10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 28 28.947 1.595 -9.953 1.00 0.00 H new ATOM 0 HE2 LYS A 28 30.741 0.863 -11.409 1.00 0.00 H new ATOM 0 HE3 LYS A 28 29.849 -0.550 -11.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 29.664 1.266 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 28.142 0.921 -12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 29.005 2.290 -12.382 1.00 0.00 H new ATOM 491 N PHE A 29 28.524 -2.337 -5.873 1.00 0.00 N ATOM 492 CA PHE A 29 29.363 -3.181 -4.976 1.00 0.00 C ATOM 493 C PHE A 29 28.898 -4.633 -5.060 1.00 0.00 C ATOM 494 O PHE A 29 29.688 -5.552 -4.982 1.00 0.00 O ATOM 495 CB PHE A 29 29.143 -2.618 -3.566 1.00 0.00 C ATOM 496 CG PHE A 29 29.718 -1.215 -3.436 1.00 0.00 C ATOM 497 CD1 PHE A 29 30.749 -0.759 -4.298 1.00 0.00 C ATOM 498 CD2 PHE A 29 29.215 -0.355 -2.432 1.00 0.00 C ATOM 499 CE1 PHE A 29 31.268 0.547 -4.152 1.00 0.00 C ATOM 500 CE2 PHE A 29 29.736 0.951 -2.289 1.00 0.00 C ATOM 501 CZ PHE A 29 30.761 1.401 -3.149 1.00 0.00 C ATOM 0 H PHE A 29 28.086 -1.533 -5.423 1.00 0.00 H new ATOM 0 HA PHE A 29 30.418 -3.163 -5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 29 28.076 -2.599 -3.342 1.00 0.00 H new ATOM 0 HB3 PHE A 29 29.611 -3.275 -2.833 1.00 0.00 H new ATOM 0 HD1 PHE A 29 31.137 -1.411 -5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 29 28.431 -0.697 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 29 32.053 0.892 -4.808 1.00 0.00 H new ATOM 0 HE2 PHE A 29 29.350 1.605 -1.521 1.00 0.00 H new ATOM 0 HZ PHE A 29 31.158 2.400 -3.039 1.00 0.00 H new ATOM 511 N HIS A 30 27.624 -4.849 -5.240 1.00 0.00 N ATOM 512 CA HIS A 30 27.127 -6.246 -5.356 1.00 0.00 C ATOM 513 C HIS A 30 27.685 -6.848 -6.642 1.00 0.00 C ATOM 514 O HIS A 30 28.142 -7.972 -6.669 1.00 0.00 O ATOM 515 CB HIS A 30 25.603 -6.131 -5.413 1.00 0.00 C ATOM 516 CG HIS A 30 25.004 -7.491 -5.653 1.00 0.00 C ATOM 517 ND1 HIS A 30 24.017 -7.707 -6.601 1.00 0.00 N ATOM 518 CD2 HIS A 30 25.244 -8.713 -5.075 1.00 0.00 C ATOM 519 CE1 HIS A 30 23.701 -9.015 -6.566 1.00 0.00 C ATOM 520 NE2 HIS A 30 24.419 -9.674 -5.653 1.00 0.00 N ATOM 0 H HIS A 30 26.911 -4.123 -5.311 1.00 0.00 H new ATOM 0 HA HIS A 30 27.433 -6.886 -4.528 1.00 0.00 H new ATOM 0 HB2 HIS A 30 25.224 -5.715 -4.479 1.00 0.00 H new ATOM 0 HB3 HIS A 30 25.309 -5.447 -6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 30 25.963 -8.900 -4.291 1.00 0.00 H new ATOM 0 HE1 HIS A 30 22.957 -9.476 -7.199 1.00 0.00 H new ATOM 0 HE2 HIS A 30 24.373 -10.668 -5.428 1.00 0.00 H new ATOM 528 N GLU A 31 27.685 -6.087 -7.702 1.00 0.00 N ATOM 529 CA GLU A 31 28.258 -6.595 -8.980 1.00 0.00 C ATOM 530 C GLU A 31 29.777 -6.346 -8.989 1.00 0.00 C ATOM 531 O GLU A 31 30.458 -6.631 -9.953 1.00 0.00 O ATOM 532 CB GLU A 31 27.571 -5.780 -10.076 1.00 0.00 C ATOM 533 CG GLU A 31 26.512 -6.643 -10.767 1.00 0.00 C ATOM 534 CD GLU A 31 26.496 -6.329 -12.264 1.00 0.00 C ATOM 535 OE1 GLU A 31 27.406 -6.765 -12.950 1.00 0.00 O ATOM 536 OE2 GLU A 31 25.574 -5.659 -12.699 1.00 0.00 O ATOM 0 H GLU A 31 27.314 -5.138 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 31 28.100 -7.664 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 31 27.108 -4.892 -9.647 1.00 0.00 H new ATOM 0 HB3 GLU A 31 28.306 -5.436 -10.803 1.00 0.00 H new ATOM 0 HG2 GLU A 31 26.728 -7.699 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 31 25.531 -6.450 -10.334 1.00 0.00 H new ATOM 543 N LEU A 32 30.304 -5.814 -7.911 1.00 0.00 N ATOM 544 CA LEU A 32 31.767 -5.535 -7.828 1.00 0.00 C ATOM 545 C LEU A 32 32.483 -6.703 -7.149 1.00 0.00 C ATOM 546 O LEU A 32 33.627 -6.995 -7.433 1.00 0.00 O ATOM 547 CB LEU A 32 31.860 -4.284 -6.945 1.00 0.00 C ATOM 548 CG LEU A 32 33.177 -3.539 -7.186 1.00 0.00 C ATOM 549 CD1 LEU A 32 33.197 -2.283 -6.314 1.00 0.00 C ATOM 550 CD2 LEU A 32 34.364 -4.425 -6.804 1.00 0.00 C ATOM 0 H LEU A 32 29.773 -5.560 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 32 32.226 -5.397 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.020 -3.622 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU A 32 31.786 -4.569 -5.895 1.00 0.00 H new ATOM 0 HG LEU A 32 33.253 -3.276 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 32 34.130 -1.743 -6.476 1.00 0.00 H new ATOM 0 HD12 LEU A 32 32.356 -1.642 -6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 32 33.120 -2.567 -5.265 1.00 0.00 H new ATOM 0 HD21 LEU A 32 35.294 -3.884 -6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 32 34.294 -4.692 -5.750 1.00 0.00 H new ATOM 0 HD23 LEU A 32 34.351 -5.331 -7.410 1.00 0.00 H new ATOM 562 N ILE A 33 31.825 -7.360 -6.229 1.00 0.00 N ATOM 563 CA ILE A 33 32.490 -8.489 -5.512 1.00 0.00 C ATOM 564 C ILE A 33 31.710 -9.795 -5.710 1.00 0.00 C ATOM 565 O ILE A 33 32.211 -10.872 -5.454 1.00 0.00 O ATOM 566 CB ILE A 33 32.498 -8.065 -4.035 1.00 0.00 C ATOM 567 CG1 ILE A 33 31.069 -8.070 -3.485 1.00 0.00 C ATOM 568 CG2 ILE A 33 33.096 -6.656 -3.910 1.00 0.00 C ATOM 569 CD1 ILE A 33 31.091 -7.730 -1.997 1.00 0.00 C ATOM 0 H ILE A 33 30.865 -7.166 -5.945 1.00 0.00 H new ATOM 0 HA ILE A 33 33.496 -8.680 -5.885 1.00 0.00 H new ATOM 0 HB ILE A 33 33.103 -8.768 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 33 30.458 -7.346 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 33 30.613 -9.048 -3.638 1.00 0.00 H new ATOM 0 HG21 ILE A 33 33.102 -6.355 -2.862 1.00 0.00 H new ATOM 0 HG22 ILE A 33 34.117 -6.659 -4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.494 -5.953 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 33 30.073 -7.734 -1.608 1.00 0.00 H new ATOM 0 HD12 ILE A 33 31.687 -8.471 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 33 31.529 -6.742 -1.856 1.00 0.00 H new ATOM 581 N LYS A 34 30.489 -9.708 -6.162 1.00 0.00 N ATOM 582 CA LYS A 34 29.681 -10.944 -6.374 1.00 0.00 C ATOM 583 C LYS A 34 29.661 -11.789 -5.098 1.00 0.00 C ATOM 584 O LYS A 34 30.556 -12.570 -4.845 1.00 0.00 O ATOM 585 CB LYS A 34 30.391 -11.692 -7.502 1.00 0.00 C ATOM 586 CG LYS A 34 29.356 -12.438 -8.347 1.00 0.00 C ATOM 587 CD LYS A 34 28.493 -11.429 -9.105 1.00 0.00 C ATOM 588 CE LYS A 34 28.075 -12.025 -10.451 1.00 0.00 C ATOM 589 NZ LYS A 34 26.733 -11.440 -10.728 1.00 0.00 N ATOM 0 H LYS A 34 30.015 -8.835 -6.394 1.00 0.00 H new ATOM 0 HA LYS A 34 28.643 -10.721 -6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 34 30.948 -10.991 -8.124 1.00 0.00 H new ATOM 0 HB3 LYS A 34 31.114 -12.395 -7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 34 29.857 -13.104 -9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 34 28.730 -13.061 -7.708 1.00 0.00 H new ATOM 0 HD2 LYS A 34 27.610 -11.175 -8.518 1.00 0.00 H new ATOM 0 HD3 LYS A 34 29.048 -10.504 -9.261 1.00 0.00 H new ATOM 0 HE2 LYS A 34 28.787 -11.769 -11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 34 28.030 -13.113 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 26.378 -11.801 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 26.075 -11.706 -9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 26.809 -10.404 -10.773 1.00 0.00 H new ATOM 603 N GLY A 35 28.646 -11.638 -4.292 1.00 0.00 N ATOM 604 CA GLY A 35 28.569 -12.433 -3.034 1.00 0.00 C ATOM 605 C GLY A 35 28.061 -11.543 -1.897 1.00 0.00 C ATOM 606 O GLY A 35 27.135 -11.955 -1.218 1.00 0.00 O ATOM 607 OXT GLY A 35 28.607 -10.465 -1.726 1.00 0.00 O ATOM 0 H GLY A 35 27.867 -10.999 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 35 27.902 -13.284 -3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 35 29.551 -12.835 -2.785 1.00 0.00 H new TER 611 GLY A 35 ATOM 612 N GLY B 1 30.768 15.435 -5.453 1.00 0.00 N ATOM 613 CA GLY B 1 30.438 14.122 -4.830 1.00 0.00 C ATOM 614 C GLY B 1 31.574 13.702 -3.894 1.00 0.00 C ATOM 615 O GLY B 1 32.737 13.886 -4.193 1.00 0.00 O ATOM 0 H1 GLY B 1 30.557 15.399 -6.471 1.00 0.00 H new ATOM 0 H2 GLY B 1 30.200 16.183 -5.007 1.00 0.00 H new ATOM 0 H3 GLY B 1 31.778 15.640 -5.316 1.00 0.00 H new ATOM 0 HA2 GLY B 1 29.503 14.196 -4.275 1.00 0.00 H new ATOM 0 HA3 GLY B 1 30.291 13.367 -5.603 1.00 0.00 H new ATOM 621 N GLU B 2 31.245 13.138 -2.764 1.00 0.00 N ATOM 622 CA GLU B 2 32.307 12.705 -1.809 1.00 0.00 C ATOM 623 C GLU B 2 32.281 11.182 -1.628 1.00 0.00 C ATOM 624 O GLU B 2 33.179 10.605 -1.048 1.00 0.00 O ATOM 625 CB GLU B 2 31.965 13.408 -0.495 1.00 0.00 C ATOM 626 CG GLU B 2 32.878 14.621 -0.313 1.00 0.00 C ATOM 627 CD GLU B 2 32.165 15.673 0.539 1.00 0.00 C ATOM 628 OE1 GLU B 2 30.945 15.670 0.551 1.00 0.00 O ATOM 629 OE2 GLU B 2 32.851 16.464 1.165 1.00 0.00 O ATOM 0 H GLU B 2 30.288 12.958 -2.460 1.00 0.00 H new ATOM 0 HA GLU B 2 33.306 12.960 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU B 2 30.921 13.722 -0.499 1.00 0.00 H new ATOM 0 HB3 GLU B 2 32.087 12.719 0.341 1.00 0.00 H new ATOM 0 HG2 GLU B 2 33.809 14.320 0.166 1.00 0.00 H new ATOM 0 HG3 GLU B 2 33.140 15.041 -1.284 1.00 0.00 H new ATOM 636 N VAL B 3 31.262 10.525 -2.117 1.00 0.00 N ATOM 637 CA VAL B 3 31.189 9.042 -1.967 1.00 0.00 C ATOM 638 C VAL B 3 32.353 8.371 -2.704 1.00 0.00 C ATOM 639 O VAL B 3 32.663 7.217 -2.476 1.00 0.00 O ATOM 640 CB VAL B 3 29.852 8.651 -2.598 1.00 0.00 C ATOM 641 CG1 VAL B 3 29.874 8.968 -4.096 1.00 0.00 C ATOM 642 CG2 VAL B 3 29.610 7.153 -2.397 1.00 0.00 C ATOM 0 H VAL B 3 30.479 10.950 -2.613 1.00 0.00 H new ATOM 0 HA VAL B 3 31.258 8.728 -0.926 1.00 0.00 H new ATOM 0 HB VAL B 3 29.051 9.217 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL B 3 28.919 8.688 -4.541 1.00 0.00 H new ATOM 0 HG12 VAL B 3 30.042 10.035 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL B 3 30.676 8.407 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL B 3 28.657 6.875 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL B 3 30.413 6.588 -2.870 1.00 0.00 H new ATOM 0 HG23 VAL B 3 29.587 6.928 -1.331 1.00 0.00 H new ATOM 652 N GLU B 4 33.001 9.083 -3.586 1.00 0.00 N ATOM 653 CA GLU B 4 34.143 8.484 -4.335 1.00 0.00 C ATOM 654 C GLU B 4 35.209 7.972 -3.360 1.00 0.00 C ATOM 655 O GLU B 4 36.050 7.169 -3.713 1.00 0.00 O ATOM 656 CB GLU B 4 34.701 9.624 -5.187 1.00 0.00 C ATOM 657 CG GLU B 4 34.738 9.192 -6.654 1.00 0.00 C ATOM 658 CD GLU B 4 36.010 9.732 -7.313 1.00 0.00 C ATOM 659 OE1 GLU B 4 36.556 10.695 -6.799 1.00 0.00 O ATOM 660 OE2 GLU B 4 36.415 9.174 -8.319 1.00 0.00 O ATOM 0 H GLU B 4 32.789 10.053 -3.820 1.00 0.00 H new ATOM 0 HA GLU B 4 33.835 7.633 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU B 4 34.082 10.514 -5.074 1.00 0.00 H new ATOM 0 HB3 GLU B 4 35.703 9.888 -4.849 1.00 0.00 H new ATOM 0 HG2 GLU B 4 34.712 8.105 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU B 4 33.858 9.566 -7.177 1.00 0.00 H new ATOM 667 N GLU B 5 35.185 8.430 -2.138 1.00 0.00 N ATOM 668 CA GLU B 5 36.199 7.969 -1.149 1.00 0.00 C ATOM 669 C GLU B 5 35.894 6.538 -0.701 1.00 0.00 C ATOM 670 O GLU B 5 36.764 5.692 -0.674 1.00 0.00 O ATOM 671 CB GLU B 5 36.073 8.937 0.025 1.00 0.00 C ATOM 672 CG GLU B 5 36.766 10.257 -0.324 1.00 0.00 C ATOM 673 CD GLU B 5 37.348 10.879 0.947 1.00 0.00 C ATOM 674 OE1 GLU B 5 37.807 10.130 1.793 1.00 0.00 O ATOM 675 OE2 GLU B 5 37.324 12.095 1.052 1.00 0.00 O ATOM 0 H GLU B 5 34.507 9.104 -1.782 1.00 0.00 H new ATOM 0 HA GLU B 5 37.206 7.960 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU B 5 35.022 9.115 0.252 1.00 0.00 H new ATOM 0 HB3 GLU B 5 36.523 8.503 0.918 1.00 0.00 H new ATOM 0 HG2 GLU B 5 37.558 10.083 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU B 5 36.055 10.943 -0.785 1.00 0.00 H new ATOM 682 N LEU B 6 34.669 6.257 -0.348 1.00 0.00 N ATOM 683 CA LEU B 6 34.330 4.874 0.094 1.00 0.00 C ATOM 684 C LEU B 6 34.438 3.913 -1.100 1.00 0.00 C ATOM 685 O LEU B 6 34.701 2.738 -0.942 1.00 0.00 O ATOM 686 CB LEU B 6 32.897 4.981 0.680 1.00 0.00 C ATOM 687 CG LEU B 6 31.825 4.417 -0.271 1.00 0.00 C ATOM 688 CD1 LEU B 6 31.845 2.888 -0.220 1.00 0.00 C ATOM 689 CD2 LEU B 6 30.443 4.913 0.169 1.00 0.00 C ATOM 0 H LEU B 6 33.893 6.920 -0.346 1.00 0.00 H new ATOM 0 HA LEU B 6 35.007 4.472 0.847 1.00 0.00 H new ATOM 0 HB2 LEU B 6 32.855 4.445 1.628 1.00 0.00 H new ATOM 0 HB3 LEU B 6 32.673 6.026 0.895 1.00 0.00 H new ATOM 0 HG LEU B 6 32.033 4.752 -1.287 1.00 0.00 H new ATOM 0 HD11 LEU B 6 31.085 2.492 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU B 6 32.827 2.527 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU B 6 31.637 2.555 0.797 1.00 0.00 H new ATOM 0 HD21 LEU B 6 29.683 4.515 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU B 6 30.242 4.575 1.186 1.00 0.00 H new ATOM 0 HD23 LEU B 6 30.420 6.002 0.138 1.00 0.00 H new ATOM 701 N GLU B 7 34.252 4.414 -2.292 1.00 0.00 N ATOM 702 CA GLU B 7 34.356 3.539 -3.498 1.00 0.00 C ATOM 703 C GLU B 7 35.812 3.130 -3.728 1.00 0.00 C ATOM 704 O GLU B 7 36.131 1.962 -3.880 1.00 0.00 O ATOM 705 CB GLU B 7 33.865 4.404 -4.656 1.00 0.00 C ATOM 706 CG GLU B 7 33.550 3.513 -5.860 1.00 0.00 C ATOM 707 CD GLU B 7 32.718 4.299 -6.875 1.00 0.00 C ATOM 708 OE1 GLU B 7 31.857 5.051 -6.450 1.00 0.00 O ATOM 709 OE2 GLU B 7 32.958 4.137 -8.060 1.00 0.00 O ATOM 0 H GLU B 7 34.032 5.391 -2.484 1.00 0.00 H new ATOM 0 HA GLU B 7 33.776 2.622 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU B 7 32.975 4.959 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU B 7 34.625 5.139 -4.923 1.00 0.00 H new ATOM 0 HG2 GLU B 7 34.475 3.168 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU B 7 33.005 2.626 -5.536 1.00 0.00 H new ATOM 716 N LYS B 8 36.700 4.085 -3.756 1.00 0.00 N ATOM 717 CA LYS B 8 38.135 3.753 -3.974 1.00 0.00 C ATOM 718 C LYS B 8 38.614 2.819 -2.870 1.00 0.00 C ATOM 719 O LYS B 8 39.207 1.796 -3.129 1.00 0.00 O ATOM 720 CB LYS B 8 38.874 5.091 -3.918 1.00 0.00 C ATOM 721 CG LYS B 8 39.932 5.136 -5.023 1.00 0.00 C ATOM 722 CD LYS B 8 39.492 6.116 -6.113 1.00 0.00 C ATOM 723 CE LYS B 8 40.722 6.634 -6.861 1.00 0.00 C ATOM 724 NZ LYS B 8 40.199 7.692 -7.772 1.00 0.00 N ATOM 0 H LYS B 8 36.495 5.077 -3.638 1.00 0.00 H new ATOM 0 HA LYS B 8 38.309 3.246 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS B 8 38.169 5.913 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS B 8 39.345 5.218 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS B 8 40.892 5.443 -4.609 1.00 0.00 H new ATOM 0 HG3 LYS B 8 40.072 4.142 -5.448 1.00 0.00 H new ATOM 0 HD2 LYS B 8 38.812 5.623 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS B 8 38.946 6.948 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS B 8 41.463 7.038 -6.171 1.00 0.00 H new ATOM 0 HE3 LYS B 8 41.209 5.836 -7.421 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 40.984 8.097 -8.321 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 39.501 7.277 -8.421 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 39.747 8.441 -7.210 1.00 0.00 H new ATOM 738 N LYS B 9 38.339 3.150 -1.643 1.00 0.00 N ATOM 739 CA LYS B 9 38.757 2.257 -0.529 1.00 0.00 C ATOM 740 C LYS B 9 38.100 0.890 -0.718 1.00 0.00 C ATOM 741 O LYS B 9 38.581 -0.117 -0.243 1.00 0.00 O ATOM 742 CB LYS B 9 38.243 2.937 0.740 1.00 0.00 C ATOM 743 CG LYS B 9 39.362 3.780 1.355 1.00 0.00 C ATOM 744 CD LYS B 9 38.761 4.795 2.328 1.00 0.00 C ATOM 745 CE LYS B 9 39.861 5.336 3.243 1.00 0.00 C ATOM 746 NZ LYS B 9 40.025 6.762 2.843 1.00 0.00 N ATOM 0 H LYS B 9 37.845 3.997 -1.362 1.00 0.00 H new ATOM 0 HA LYS B 9 39.835 2.102 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS B 9 37.385 3.567 0.506 1.00 0.00 H new ATOM 0 HB3 LYS B 9 37.903 2.188 1.455 1.00 0.00 H new ATOM 0 HG2 LYS B 9 40.072 3.137 1.876 1.00 0.00 H new ATOM 0 HG3 LYS B 9 39.916 4.296 0.571 1.00 0.00 H new ATOM 0 HD2 LYS B 9 38.297 5.613 1.777 1.00 0.00 H new ATOM 0 HD3 LYS B 9 37.977 4.325 2.922 1.00 0.00 H new ATOM 0 HE2 LYS B 9 39.580 5.250 4.293 1.00 0.00 H new ATOM 0 HE3 LYS B 9 40.790 4.780 3.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 40.764 7.203 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 40.299 6.812 1.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 39.127 7.267 2.982 1.00 0.00 H new ATOM 760 N PHE B 10 36.996 0.859 -1.416 1.00 0.00 N ATOM 761 CA PHE B 10 36.281 -0.426 -1.657 1.00 0.00 C ATOM 762 C PHE B 10 37.148 -1.397 -2.469 1.00 0.00 C ATOM 763 O PHE B 10 37.554 -2.439 -1.983 1.00 0.00 O ATOM 764 CB PHE B 10 35.042 -0.020 -2.463 1.00 0.00 C ATOM 765 CG PHE B 10 33.894 -0.948 -2.162 1.00 0.00 C ATOM 766 CD1 PHE B 10 33.199 -0.838 -0.939 1.00 0.00 C ATOM 767 CD2 PHE B 10 33.505 -1.916 -3.114 1.00 0.00 C ATOM 768 CE1 PHE B 10 32.114 -1.698 -0.665 1.00 0.00 C ATOM 769 CE2 PHE B 10 32.417 -2.774 -2.843 1.00 0.00 C ATOM 770 CZ PHE B 10 31.723 -2.665 -1.616 1.00 0.00 C ATOM 0 H PHE B 10 36.555 1.679 -1.833 1.00 0.00 H new ATOM 0 HA PHE B 10 36.035 -0.940 -0.728 1.00 0.00 H new ATOM 0 HB2 PHE B 10 34.762 1.005 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE B 10 35.269 -0.045 -3.529 1.00 0.00 H new ATOM 0 HD1 PHE B 10 33.497 -0.096 -0.213 1.00 0.00 H new ATOM 0 HD2 PHE B 10 34.039 -2.000 -4.049 1.00 0.00 H new ATOM 0 HE1 PHE B 10 31.583 -1.616 0.272 1.00 0.00 H new ATOM 0 HE2 PHE B 10 32.115 -3.512 -3.571 1.00 0.00 H new ATOM 0 HZ PHE B 10 30.892 -3.323 -1.406 1.00 0.00 H new ATOM 780 N LYS B 11 37.427 -1.078 -3.706 1.00 0.00 N ATOM 781 CA LYS B 11 38.250 -2.012 -4.537 1.00 0.00 C ATOM 782 C LYS B 11 39.670 -2.132 -3.983 1.00 0.00 C ATOM 783 O LYS B 11 40.320 -3.153 -4.120 1.00 0.00 O ATOM 784 CB LYS B 11 38.268 -1.430 -5.956 1.00 0.00 C ATOM 785 CG LYS B 11 38.581 0.068 -5.926 1.00 0.00 C ATOM 786 CD LYS B 11 37.299 0.841 -6.228 1.00 0.00 C ATOM 787 CE LYS B 11 37.192 1.086 -7.734 1.00 0.00 C ATOM 788 NZ LYS B 11 35.807 0.667 -8.090 1.00 0.00 N ATOM 0 H LYS B 11 37.126 -0.223 -4.174 1.00 0.00 H new ATOM 0 HA LYS B 11 37.826 -3.016 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS B 11 39.014 -1.950 -6.557 1.00 0.00 H new ATOM 0 HB3 LYS B 11 37.302 -1.595 -6.434 1.00 0.00 H new ATOM 0 HG2 LYS B 11 38.973 0.353 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS B 11 39.349 0.308 -6.661 1.00 0.00 H new ATOM 0 HD2 LYS B 11 36.433 0.280 -5.878 1.00 0.00 H new ATOM 0 HD3 LYS B 11 37.300 1.791 -5.694 1.00 0.00 H new ATOM 0 HE2 LYS B 11 37.363 2.135 -7.977 1.00 0.00 H new ATOM 0 HE3 LYS B 11 37.934 0.506 -8.283 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 35.654 0.805 -9.109 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 35.676 -0.337 -7.853 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 35.123 1.241 -7.557 1.00 0.00 H new ATOM 802 N GLU B 12 40.154 -1.102 -3.357 1.00 0.00 N ATOM 803 CA GLU B 12 41.529 -1.151 -2.793 1.00 0.00 C ATOM 804 C GLU B 12 41.550 -2.014 -1.534 1.00 0.00 C ATOM 805 O GLU B 12 42.579 -2.528 -1.141 1.00 0.00 O ATOM 806 CB GLU B 12 41.871 0.300 -2.456 1.00 0.00 C ATOM 807 CG GLU B 12 42.612 0.935 -3.634 1.00 0.00 C ATOM 808 CD GLU B 12 43.887 1.614 -3.129 1.00 0.00 C ATOM 809 OE1 GLU B 12 44.890 0.931 -3.010 1.00 0.00 O ATOM 810 OE2 GLU B 12 43.838 2.805 -2.872 1.00 0.00 O ATOM 0 H GLU B 12 39.656 -0.224 -3.210 1.00 0.00 H new ATOM 0 HA GLU B 12 42.247 -1.586 -3.488 1.00 0.00 H new ATOM 0 HB2 GLU B 12 40.960 0.859 -2.241 1.00 0.00 H new ATOM 0 HB3 GLU B 12 42.489 0.340 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU B 12 42.861 0.174 -4.373 1.00 0.00 H new ATOM 0 HG3 GLU B 12 41.971 1.664 -4.130 1.00 0.00 H new ATOM 817 N LEU B 13 40.423 -2.186 -0.897 1.00 0.00 N ATOM 818 CA LEU B 13 40.400 -3.025 0.330 1.00 0.00 C ATOM 819 C LEU B 13 40.395 -4.503 -0.061 1.00 0.00 C ATOM 820 O LEU B 13 41.069 -5.315 0.542 1.00 0.00 O ATOM 821 CB LEU B 13 39.118 -2.643 1.067 1.00 0.00 C ATOM 822 CG LEU B 13 39.458 -1.644 2.177 1.00 0.00 C ATOM 823 CD1 LEU B 13 38.169 -1.069 2.762 1.00 0.00 C ATOM 824 CD2 LEU B 13 40.244 -2.353 3.282 1.00 0.00 C ATOM 0 H LEU B 13 39.526 -1.785 -1.172 1.00 0.00 H new ATOM 0 HA LEU B 13 41.273 -2.864 0.962 1.00 0.00 H new ATOM 0 HB2 LEU B 13 38.401 -2.204 0.373 1.00 0.00 H new ATOM 0 HB3 LEU B 13 38.649 -3.531 1.491 1.00 0.00 H new ATOM 0 HG LEU B 13 40.061 -0.837 1.762 1.00 0.00 H new ATOM 0 HD11 LEU B 13 38.413 -0.358 3.552 1.00 0.00 H new ATOM 0 HD12 LEU B 13 37.608 -0.561 1.977 1.00 0.00 H new ATOM 0 HD13 LEU B 13 37.565 -1.877 3.175 1.00 0.00 H new ATOM 0 HD21 LEU B 13 40.485 -1.641 4.071 1.00 0.00 H new ATOM 0 HD22 LEU B 13 39.642 -3.162 3.695 1.00 0.00 H new ATOM 0 HD23 LEU B 13 41.166 -2.762 2.868 1.00 0.00 H new ATOM 836 N TRP B 14 39.654 -4.860 -1.076 1.00 0.00 N ATOM 837 CA TRP B 14 39.633 -6.290 -1.504 1.00 0.00 C ATOM 838 C TRP B 14 41.025 -6.707 -1.967 1.00 0.00 C ATOM 839 O TRP B 14 41.542 -7.736 -1.578 1.00 0.00 O ATOM 840 CB TRP B 14 38.658 -6.351 -2.676 1.00 0.00 C ATOM 841 CG TRP B 14 37.399 -7.012 -2.234 1.00 0.00 C ATOM 842 CD1 TRP B 14 37.214 -8.347 -2.078 1.00 0.00 C ATOM 843 CD2 TRP B 14 36.148 -6.383 -1.884 1.00 0.00 C ATOM 844 NE1 TRP B 14 35.920 -8.570 -1.653 1.00 0.00 N ATOM 845 CE2 TRP B 14 35.222 -7.391 -1.517 1.00 0.00 C ATOM 846 CE3 TRP B 14 35.725 -5.037 -1.848 1.00 0.00 C ATOM 847 CZ2 TRP B 14 33.918 -7.071 -1.128 1.00 0.00 C ATOM 848 CZ3 TRP B 14 34.418 -4.705 -1.457 1.00 0.00 C ATOM 849 CH2 TRP B 14 33.511 -5.718 -1.096 1.00 0.00 C ATOM 0 H TRP B 14 39.067 -4.230 -1.623 1.00 0.00 H new ATOM 0 HA TRP B 14 39.336 -6.955 -0.693 1.00 0.00 H new ATOM 0 HB2 TRP B 14 38.446 -5.346 -3.041 1.00 0.00 H new ATOM 0 HB3 TRP B 14 39.101 -6.904 -3.504 1.00 0.00 H new ATOM 0 HD1 TRP B 14 37.957 -9.110 -2.257 1.00 0.00 H new ATOM 0 HE1 TRP B 14 35.530 -9.493 -1.463 1.00 0.00 H new ATOM 0 HE3 TRP B 14 36.415 -4.253 -2.124 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 33.226 -7.853 -0.854 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 34.109 -3.671 -1.433 1.00 0.00 H new ATOM 0 HH2 TRP B 14 32.506 -5.462 -0.795 1.00 0.00 H new ATOM 860 N LYS B 15 41.631 -5.914 -2.803 1.00 0.00 N ATOM 861 CA LYS B 15 42.988 -6.257 -3.304 1.00 0.00 C ATOM 862 C LYS B 15 44.043 -5.423 -2.572 1.00 0.00 C ATOM 863 O LYS B 15 44.456 -4.377 -3.032 1.00 0.00 O ATOM 864 CB LYS B 15 42.936 -5.911 -4.790 1.00 0.00 C ATOM 865 CG LYS B 15 44.308 -6.147 -5.426 1.00 0.00 C ATOM 866 CD LYS B 15 44.347 -7.542 -6.054 1.00 0.00 C ATOM 867 CE LYS B 15 44.848 -7.438 -7.495 1.00 0.00 C ATOM 868 NZ LYS B 15 43.948 -8.332 -8.277 1.00 0.00 N ATOM 0 H LYS B 15 41.244 -5.041 -3.162 1.00 0.00 H new ATOM 0 HA LYS B 15 43.256 -7.300 -3.139 1.00 0.00 H new ATOM 0 HB2 LYS B 15 42.184 -6.522 -5.289 1.00 0.00 H new ATOM 0 HB3 LYS B 15 42.639 -4.870 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS B 15 44.504 -5.389 -6.185 1.00 0.00 H new ATOM 0 HG3 LYS B 15 45.091 -6.054 -4.673 1.00 0.00 H new ATOM 0 HD2 LYS B 15 45.002 -8.194 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS B 15 43.353 -7.989 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS B 15 44.798 -6.411 -7.858 1.00 0.00 H new ATOM 0 HE3 LYS B 15 45.888 -7.755 -7.576 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 44.227 -8.316 -9.279 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 44.022 -9.303 -7.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 42.966 -8.002 -8.186 1.00 0.00 H new ATOM 882 N GLY B 16 44.474 -5.881 -1.428 1.00 0.00 N ATOM 883 CA GLY B 16 45.493 -5.125 -0.647 1.00 0.00 C ATOM 884 C GLY B 16 45.435 -5.580 0.816 1.00 0.00 C ATOM 885 O GLY B 16 46.103 -6.520 1.199 1.00 0.00 O ATOM 0 H GLY B 16 44.162 -6.752 -0.999 1.00 0.00 H new ATOM 0 HA2 GLY B 16 46.488 -5.299 -1.057 1.00 0.00 H new ATOM 0 HA3 GLY B 16 45.303 -4.054 -0.717 1.00 0.00 H new ATOM 889 N PRO B 17 44.626 -4.898 1.585 1.00 0.00 N ATOM 890 CA PRO B 17 44.467 -5.242 3.018 1.00 0.00 C ATOM 891 C PRO B 17 43.587 -6.494 3.146 1.00 0.00 C ATOM 892 O PRO B 17 43.514 -7.293 2.234 1.00 0.00 O ATOM 893 CB PRO B 17 43.780 -4.008 3.602 1.00 0.00 C ATOM 894 CG PRO B 17 43.062 -3.374 2.455 1.00 0.00 C ATOM 895 CD PRO B 17 43.794 -3.754 1.193 1.00 0.00 C ATOM 0 HA PRO B 17 45.402 -5.471 3.530 1.00 0.00 H new ATOM 0 HB2 PRO B 17 43.086 -4.284 4.396 1.00 0.00 H new ATOM 0 HB3 PRO B 17 44.507 -3.323 4.038 1.00 0.00 H new ATOM 0 HG2 PRO B 17 42.028 -3.715 2.415 1.00 0.00 H new ATOM 0 HG3 PRO B 17 43.036 -2.291 2.571 1.00 0.00 H new ATOM 0 HD2 PRO B 17 43.100 -4.022 0.396 1.00 0.00 H new ATOM 0 HD3 PRO B 17 44.402 -2.929 0.822 1.00 0.00 H new ATOM 903 N ARG B 18 42.920 -6.682 4.258 1.00 0.00 N ATOM 904 CA ARG B 18 42.055 -7.890 4.402 1.00 0.00 C ATOM 905 C ARG B 18 41.073 -7.972 3.225 1.00 0.00 C ATOM 906 O ARG B 18 41.120 -7.176 2.308 1.00 0.00 O ATOM 907 CB ARG B 18 41.319 -7.717 5.751 1.00 0.00 C ATOM 908 CG ARG B 18 40.071 -6.821 5.611 1.00 0.00 C ATOM 909 CD ARG B 18 40.496 -5.372 5.388 1.00 0.00 C ATOM 910 NE ARG B 18 41.224 -5.003 6.638 1.00 0.00 N ATOM 911 CZ ARG B 18 42.222 -4.165 6.594 1.00 0.00 C ATOM 912 NH1 ARG B 18 42.083 -3.015 5.994 1.00 0.00 N ATOM 913 NH2 ARG B 18 43.361 -4.479 7.149 1.00 0.00 N ATOM 0 H ARG B 18 42.937 -6.057 5.064 1.00 0.00 H new ATOM 0 HA ARG B 18 42.628 -8.817 4.392 1.00 0.00 H new ATOM 0 HB2 ARG B 18 41.024 -8.695 6.132 1.00 0.00 H new ATOM 0 HB3 ARG B 18 41.999 -7.281 6.483 1.00 0.00 H new ATOM 0 HG2 ARG B 18 39.459 -7.162 4.776 1.00 0.00 H new ATOM 0 HG3 ARG B 18 39.456 -6.895 6.508 1.00 0.00 H new ATOM 0 HD2 ARG B 18 41.137 -5.276 4.512 1.00 0.00 H new ATOM 0 HD3 ARG B 18 39.634 -4.725 5.225 1.00 0.00 H new ATOM 0 HE ARG B 18 40.940 -5.408 7.530 1.00 0.00 H new ATOM 0 HH11 ARG B 18 41.193 -2.771 5.559 1.00 0.00 H new ATOM 0 HH12 ARG B 18 42.864 -2.360 5.960 1.00 0.00 H new ATOM 0 HH21 ARG B 18 43.470 -5.379 7.616 1.00 0.00 H new ATOM 0 HH22 ARG B 18 44.142 -3.824 7.115 1.00 0.00 H new ATOM 927 N ARG B 19 40.177 -8.916 3.249 1.00 0.00 N ATOM 928 CA ARG B 19 39.199 -9.025 2.133 1.00 0.00 C ATOM 929 C ARG B 19 37.878 -9.614 2.637 1.00 0.00 C ATOM 930 O ARG B 19 36.810 -9.171 2.265 1.00 0.00 O ATOM 931 CB ARG B 19 39.856 -9.961 1.120 1.00 0.00 C ATOM 932 CG ARG B 19 38.924 -10.154 -0.078 1.00 0.00 C ATOM 933 CD ARG B 19 38.930 -11.626 -0.495 1.00 0.00 C ATOM 934 NE ARG B 19 37.582 -11.862 -1.084 1.00 0.00 N ATOM 935 CZ ARG B 19 37.401 -12.845 -1.923 1.00 0.00 C ATOM 936 NH1 ARG B 19 37.802 -12.731 -3.160 1.00 0.00 N ATOM 937 NH2 ARG B 19 36.819 -13.943 -1.525 1.00 0.00 N ATOM 0 H ARG B 19 40.079 -9.613 3.987 1.00 0.00 H new ATOM 0 HA ARG B 19 38.963 -8.055 1.696 1.00 0.00 H new ATOM 0 HB2 ARG B 19 40.808 -9.546 0.790 1.00 0.00 H new ATOM 0 HB3 ARG B 19 40.072 -10.923 1.585 1.00 0.00 H new ATOM 0 HG2 ARG B 19 37.912 -9.842 0.181 1.00 0.00 H new ATOM 0 HG3 ARG B 19 39.248 -9.528 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG B 19 39.719 -11.828 -1.219 1.00 0.00 H new ATOM 0 HD3 ARG B 19 39.107 -12.278 0.360 1.00 0.00 H new ATOM 0 HE ARG B 19 36.801 -11.256 -0.832 1.00 0.00 H new ATOM 0 HH11 ARG B 19 38.257 -11.873 -3.472 1.00 0.00 H new ATOM 0 HH12 ARG B 19 37.660 -13.500 -3.815 1.00 0.00 H new ATOM 0 HH21 ARG B 19 36.506 -14.033 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG B 19 36.677 -14.712 -2.180 1.00 0.00 H new ATOM 951 N GLY B 20 37.941 -10.609 3.478 1.00 0.00 N ATOM 952 CA GLY B 20 36.687 -11.222 3.999 1.00 0.00 C ATOM 953 C GLY B 20 35.899 -10.179 4.795 1.00 0.00 C ATOM 954 O GLY B 20 34.692 -10.087 4.691 1.00 0.00 O ATOM 0 H GLY B 20 38.805 -11.024 3.827 1.00 0.00 H new ATOM 0 HA2 GLY B 20 36.083 -11.597 3.173 1.00 0.00 H new ATOM 0 HA3 GLY B 20 36.924 -12.076 4.634 1.00 0.00 H new ATOM 958 N GLU B 21 36.571 -9.393 5.591 1.00 0.00 N ATOM 959 CA GLU B 21 35.858 -8.358 6.394 1.00 0.00 C ATOM 960 C GLU B 21 35.253 -7.295 5.473 1.00 0.00 C ATOM 961 O GLU B 21 34.261 -6.672 5.797 1.00 0.00 O ATOM 962 CB GLU B 21 36.932 -7.742 7.291 1.00 0.00 C ATOM 963 CG GLU B 21 36.718 -8.207 8.733 1.00 0.00 C ATOM 964 CD GLU B 21 38.031 -8.760 9.290 1.00 0.00 C ATOM 965 OE1 GLU B 21 38.277 -9.942 9.110 1.00 0.00 O ATOM 966 OE2 GLU B 21 38.769 -7.993 9.887 1.00 0.00 O ATOM 0 H GLU B 21 37.582 -9.422 5.720 1.00 0.00 H new ATOM 0 HA GLU B 21 35.036 -8.780 6.973 1.00 0.00 H new ATOM 0 HB2 GLU B 21 37.923 -8.037 6.945 1.00 0.00 H new ATOM 0 HB3 GLU B 21 36.886 -6.654 7.237 1.00 0.00 H new ATOM 0 HG2 GLU B 21 36.371 -7.376 9.347 1.00 0.00 H new ATOM 0 HG3 GLU B 21 35.944 -8.974 8.768 1.00 0.00 H new ATOM 973 N ILE B 22 35.840 -7.084 4.327 1.00 0.00 N ATOM 974 CA ILE B 22 35.292 -6.061 3.390 1.00 0.00 C ATOM 975 C ILE B 22 33.991 -6.569 2.772 1.00 0.00 C ATOM 976 O ILE B 22 32.948 -5.961 2.904 1.00 0.00 O ATOM 977 CB ILE B 22 36.367 -5.881 2.312 1.00 0.00 C ATOM 978 CG1 ILE B 22 37.724 -5.587 2.960 1.00 0.00 C ATOM 979 CG2 ILE B 22 35.977 -4.716 1.399 1.00 0.00 C ATOM 980 CD1 ILE B 22 37.589 -4.442 3.966 1.00 0.00 C ATOM 0 H ILE B 22 36.673 -7.573 3.999 1.00 0.00 H new ATOM 0 HA ILE B 22 35.066 -5.120 3.891 1.00 0.00 H new ATOM 0 HB ILE B 22 36.444 -6.799 1.730 1.00 0.00 H new ATOM 0 HG12 ILE B 22 38.097 -6.480 3.461 1.00 0.00 H new ATOM 0 HG13 ILE B 22 38.453 -5.324 2.193 1.00 0.00 H new ATOM 0 HG21 ILE B 22 36.739 -4.585 0.631 1.00 0.00 H new ATOM 0 HG22 ILE B 22 35.018 -4.929 0.926 1.00 0.00 H new ATOM 0 HG23 ILE B 22 35.895 -3.803 1.989 1.00 0.00 H new ATOM 0 HD11 ILE B 22 38.559 -4.241 4.421 1.00 0.00 H new ATOM 0 HD12 ILE B 22 37.236 -3.547 3.453 1.00 0.00 H new ATOM 0 HD13 ILE B 22 36.876 -4.721 4.741 1.00 0.00 H new ATOM 992 N GLU B 23 34.045 -7.685 2.104 1.00 0.00 N ATOM 993 CA GLU B 23 32.815 -8.239 1.486 1.00 0.00 C ATOM 994 C GLU B 23 31.754 -8.449 2.566 1.00 0.00 C ATOM 995 O GLU B 23 30.566 -8.404 2.304 1.00 0.00 O ATOM 996 CB GLU B 23 33.277 -9.554 0.850 1.00 0.00 C ATOM 997 CG GLU B 23 32.115 -10.232 0.138 1.00 0.00 C ATOM 998 CD GLU B 23 31.727 -11.508 0.886 1.00 0.00 C ATOM 999 OE1 GLU B 23 32.406 -12.506 0.708 1.00 0.00 O ATOM 1000 OE2 GLU B 23 30.757 -11.466 1.625 1.00 0.00 O ATOM 0 H GLU B 23 34.890 -8.237 1.960 1.00 0.00 H new ATOM 0 HA GLU B 23 32.357 -7.586 0.743 1.00 0.00 H new ATOM 0 HB2 GLU B 23 34.083 -9.360 0.142 1.00 0.00 H new ATOM 0 HB3 GLU B 23 33.679 -10.216 1.617 1.00 0.00 H new ATOM 0 HG2 GLU B 23 31.262 -9.555 0.087 1.00 0.00 H new ATOM 0 HG3 GLU B 23 32.394 -10.471 -0.888 1.00 0.00 H new ATOM 1007 N GLU B 24 32.171 -8.632 3.788 1.00 0.00 N ATOM 1008 CA GLU B 24 31.179 -8.793 4.882 1.00 0.00 C ATOM 1009 C GLU B 24 30.459 -7.459 5.073 1.00 0.00 C ATOM 1010 O GLU B 24 29.255 -7.399 5.241 1.00 0.00 O ATOM 1011 CB GLU B 24 32.000 -9.153 6.122 1.00 0.00 C ATOM 1012 CG GLU B 24 31.089 -9.173 7.351 1.00 0.00 C ATOM 1013 CD GLU B 24 31.716 -10.049 8.437 1.00 0.00 C ATOM 1014 OE1 GLU B 24 32.900 -9.892 8.687 1.00 0.00 O ATOM 1015 OE2 GLU B 24 31.002 -10.862 9.001 1.00 0.00 O ATOM 0 H GLU B 24 33.149 -8.677 4.073 1.00 0.00 H new ATOM 0 HA GLU B 24 30.429 -9.557 4.678 1.00 0.00 H new ATOM 0 HB2 GLU B 24 32.470 -10.127 5.989 1.00 0.00 H new ATOM 0 HB3 GLU B 24 32.802 -8.428 6.263 1.00 0.00 H new ATOM 0 HG2 GLU B 24 30.943 -8.160 7.725 1.00 0.00 H new ATOM 0 HG3 GLU B 24 30.105 -9.558 7.081 1.00 0.00 H new ATOM 1022 N LEU B 25 31.198 -6.384 5.022 1.00 0.00 N ATOM 1023 CA LEU B 25 30.574 -5.041 5.176 1.00 0.00 C ATOM 1024 C LEU B 25 29.611 -4.789 4.019 1.00 0.00 C ATOM 1025 O LEU B 25 28.654 -4.063 4.153 1.00 0.00 O ATOM 1026 CB LEU B 25 31.726 -4.032 5.124 1.00 0.00 C ATOM 1027 CG LEU B 25 31.632 -3.047 6.304 1.00 0.00 C ATOM 1028 CD1 LEU B 25 32.574 -1.866 6.053 1.00 0.00 C ATOM 1029 CD2 LEU B 25 30.198 -2.518 6.448 1.00 0.00 C ATOM 0 H LEU B 25 32.208 -6.379 4.880 1.00 0.00 H new ATOM 0 HA LEU B 25 30.013 -4.959 6.107 1.00 0.00 H new ATOM 0 HB2 LEU B 25 32.680 -4.558 5.157 1.00 0.00 H new ATOM 0 HB3 LEU B 25 31.696 -3.485 4.182 1.00 0.00 H new ATOM 0 HG LEU B 25 31.914 -3.568 7.219 1.00 0.00 H new ATOM 0 HD11 LEU B 25 32.510 -1.166 6.886 1.00 0.00 H new ATOM 0 HD12 LEU B 25 33.597 -2.230 5.962 1.00 0.00 H new ATOM 0 HD13 LEU B 25 32.286 -1.360 5.132 1.00 0.00 H new ATOM 0 HD21 LEU B 25 30.149 -1.823 7.286 1.00 0.00 H new ATOM 0 HD22 LEU B 25 29.906 -2.003 5.533 1.00 0.00 H new ATOM 0 HD23 LEU B 25 29.519 -3.352 6.627 1.00 0.00 H new ATOM 1041 N HIS B 26 29.856 -5.384 2.880 1.00 0.00 N ATOM 1042 CA HIS B 26 28.936 -5.170 1.727 1.00 0.00 C ATOM 1043 C HIS B 26 27.575 -5.790 2.045 1.00 0.00 C ATOM 1044 O HIS B 26 26.549 -5.155 1.909 1.00 0.00 O ATOM 1045 CB HIS B 26 29.594 -5.867 0.537 1.00 0.00 C ATOM 1046 CG HIS B 26 28.659 -5.828 -0.642 1.00 0.00 C ATOM 1047 ND1 HIS B 26 28.418 -4.670 -1.364 1.00 0.00 N ATOM 1048 CD2 HIS B 26 27.894 -6.800 -1.229 1.00 0.00 C ATOM 1049 CE1 HIS B 26 27.538 -4.976 -2.338 1.00 0.00 C ATOM 1050 NE2 HIS B 26 27.187 -6.263 -2.299 1.00 0.00 N ATOM 0 H HIS B 26 30.646 -6.003 2.701 1.00 0.00 H new ATOM 0 HA HIS B 26 28.770 -4.114 1.514 1.00 0.00 H new ATOM 0 HB2 HIS B 26 30.534 -5.375 0.287 1.00 0.00 H new ATOM 0 HB3 HIS B 26 29.833 -6.899 0.792 1.00 0.00 H new ATOM 0 HD1 HIS B 26 28.831 -3.754 -1.190 1.00 0.00 H new ATOM 0 HD2 HIS B 26 27.847 -7.830 -0.909 1.00 0.00 H new ATOM 0 HE1 HIS B 26 27.163 -4.267 -3.061 1.00 0.00 H new ATOM 1058 N LYS B 27 27.555 -7.019 2.484 1.00 0.00 N ATOM 1059 CA LYS B 27 26.250 -7.656 2.826 1.00 0.00 C ATOM 1060 C LYS B 27 25.499 -6.762 3.818 1.00 0.00 C ATOM 1061 O LYS B 27 24.305 -6.553 3.711 1.00 0.00 O ATOM 1062 CB LYS B 27 26.613 -8.994 3.469 1.00 0.00 C ATOM 1063 CG LYS B 27 25.662 -10.080 2.962 1.00 0.00 C ATOM 1064 CD LYS B 27 26.264 -10.750 1.725 1.00 0.00 C ATOM 1065 CE LYS B 27 27.322 -11.767 2.160 1.00 0.00 C ATOM 1066 NZ LYS B 27 26.725 -13.096 1.846 1.00 0.00 N ATOM 0 H LYS B 27 28.378 -7.606 2.620 1.00 0.00 H new ATOM 0 HA LYS B 27 25.606 -7.796 1.958 1.00 0.00 H new ATOM 0 HB2 LYS B 27 27.643 -9.257 3.229 1.00 0.00 H new ATOM 0 HB3 LYS B 27 26.548 -8.917 4.554 1.00 0.00 H new ATOM 0 HG2 LYS B 27 25.490 -10.821 3.743 1.00 0.00 H new ATOM 0 HG3 LYS B 27 24.693 -9.644 2.717 1.00 0.00 H new ATOM 0 HD2 LYS B 27 25.482 -11.246 1.150 1.00 0.00 H new ATOM 0 HD3 LYS B 27 26.712 -10.000 1.073 1.00 0.00 H new ATOM 0 HE2 LYS B 27 28.259 -11.617 1.623 1.00 0.00 H new ATOM 0 HE3 LYS B 27 27.546 -11.675 3.223 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 27.391 -13.848 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 25.838 -13.212 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 26.529 -13.156 0.826 1.00 0.00 H new ATOM 1080 N LYS B 28 26.200 -6.215 4.774 1.00 0.00 N ATOM 1081 CA LYS B 28 25.535 -5.318 5.758 1.00 0.00 C ATOM 1082 C LYS B 28 24.948 -4.107 5.028 1.00 0.00 C ATOM 1083 O LYS B 28 23.830 -3.705 5.275 1.00 0.00 O ATOM 1084 CB LYS B 28 26.646 -4.883 6.715 1.00 0.00 C ATOM 1085 CG LYS B 28 26.030 -4.439 8.044 1.00 0.00 C ATOM 1086 CD LYS B 28 26.707 -5.187 9.194 1.00 0.00 C ATOM 1087 CE LYS B 28 26.067 -4.772 10.520 1.00 0.00 C ATOM 1088 NZ LYS B 28 26.468 -5.834 11.486 1.00 0.00 N ATOM 0 H LYS B 28 27.201 -6.351 4.915 1.00 0.00 H new ATOM 0 HA LYS B 28 24.718 -5.807 6.288 1.00 0.00 H new ATOM 0 HB2 LYS B 28 27.341 -5.706 6.881 1.00 0.00 H new ATOM 0 HB3 LYS B 28 27.219 -4.066 6.277 1.00 0.00 H new ATOM 0 HG2 LYS B 28 26.153 -3.364 8.173 1.00 0.00 H new ATOM 0 HG3 LYS B 28 24.959 -4.640 8.046 1.00 0.00 H new ATOM 0 HD2 LYS B 28 26.607 -6.263 9.051 1.00 0.00 H new ATOM 0 HD3 LYS B 28 27.774 -4.965 9.208 1.00 0.00 H new ATOM 0 HE2 LYS B 28 26.421 -3.792 10.840 1.00 0.00 H new ATOM 0 HE3 LYS B 28 24.983 -4.706 10.432 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 26.067 -5.621 12.422 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 26.112 -6.754 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 27.505 -5.868 11.553 1.00 0.00 H new ATOM 1102 N PHE B 29 25.695 -3.536 4.117 1.00 0.00 N ATOM 1103 CA PHE B 29 25.189 -2.360 3.354 1.00 0.00 C ATOM 1104 C PHE B 29 23.849 -2.708 2.711 1.00 0.00 C ATOM 1105 O PHE B 29 22.970 -1.877 2.599 1.00 0.00 O ATOM 1106 CB PHE B 29 26.252 -2.082 2.284 1.00 0.00 C ATOM 1107 CG PHE B 29 27.556 -1.610 2.910 1.00 0.00 C ATOM 1108 CD1 PHE B 29 27.580 -1.012 4.198 1.00 0.00 C ATOM 1109 CD2 PHE B 29 28.763 -1.767 2.191 1.00 0.00 C ATOM 1110 CE1 PHE B 29 28.804 -0.579 4.754 1.00 0.00 C ATOM 1111 CE2 PHE B 29 29.986 -1.332 2.751 1.00 0.00 C ATOM 1112 CZ PHE B 29 30.006 -0.739 4.032 1.00 0.00 C ATOM 0 H PHE B 29 26.638 -3.837 3.870 1.00 0.00 H new ATOM 0 HA PHE B 29 25.027 -1.488 3.987 1.00 0.00 H new ATOM 0 HB2 PHE B 29 26.432 -2.987 1.703 1.00 0.00 H new ATOM 0 HB3 PHE B 29 25.884 -1.326 1.591 1.00 0.00 H new ATOM 0 HD1 PHE B 29 26.662 -0.888 4.753 1.00 0.00 H new ATOM 0 HD2 PHE B 29 28.751 -2.221 1.211 1.00 0.00 H new ATOM 0 HE1 PHE B 29 28.820 -0.125 5.734 1.00 0.00 H new ATOM 0 HE2 PHE B 29 30.906 -1.453 2.198 1.00 0.00 H new ATOM 0 HZ PHE B 29 30.941 -0.408 4.459 1.00 0.00 H new ATOM 1122 N HIS B 30 23.674 -3.937 2.306 1.00 0.00 N ATOM 1123 CA HIS B 30 22.375 -4.332 1.699 1.00 0.00 C ATOM 1124 C HIS B 30 21.298 -4.248 2.775 1.00 0.00 C ATOM 1125 O HIS B 30 20.214 -3.751 2.550 1.00 0.00 O ATOM 1126 CB HIS B 30 22.572 -5.771 1.221 1.00 0.00 C ATOM 1127 CG HIS B 30 21.270 -6.309 0.695 1.00 0.00 C ATOM 1128 ND1 HIS B 30 20.788 -7.559 1.051 1.00 0.00 N ATOM 1129 CD2 HIS B 30 20.337 -5.778 -0.162 1.00 0.00 C ATOM 1130 CE1 HIS B 30 19.615 -7.738 0.416 1.00 0.00 C ATOM 1131 NE2 HIS B 30 19.293 -6.682 -0.336 1.00 0.00 N ATOM 0 H HIS B 30 24.371 -4.679 2.369 1.00 0.00 H new ATOM 0 HA HIS B 30 22.069 -3.691 0.872 1.00 0.00 H new ATOM 0 HB2 HIS B 30 23.333 -5.805 0.441 1.00 0.00 H new ATOM 0 HB3 HIS B 30 22.929 -6.392 2.042 1.00 0.00 H new ATOM 0 HD2 HIS B 30 20.403 -4.807 -0.630 1.00 0.00 H new ATOM 0 HE1 HIS B 30 19.008 -8.627 0.504 1.00 0.00 H new ATOM 0 HE2 HIS B 30 18.461 -6.564 -0.914 1.00 0.00 H new ATOM 1139 N GLU B 31 21.607 -4.700 3.960 1.00 0.00 N ATOM 1140 CA GLU B 31 20.618 -4.607 5.070 1.00 0.00 C ATOM 1141 C GLU B 31 20.734 -3.226 5.737 1.00 0.00 C ATOM 1142 O GLU B 31 20.061 -2.932 6.705 1.00 0.00 O ATOM 1143 CB GLU B 31 21.011 -5.714 6.049 1.00 0.00 C ATOM 1144 CG GLU B 31 20.034 -6.883 5.917 1.00 0.00 C ATOM 1145 CD GLU B 31 19.765 -7.480 7.299 1.00 0.00 C ATOM 1146 OE1 GLU B 31 19.034 -6.864 8.057 1.00 0.00 O ATOM 1147 OE2 GLU B 31 20.296 -8.543 7.576 1.00 0.00 O ATOM 0 H GLU B 31 22.499 -5.128 4.206 1.00 0.00 H new ATOM 0 HA GLU B 31 19.589 -4.722 4.730 1.00 0.00 H new ATOM 0 HB2 GLU B 31 22.027 -6.051 5.845 1.00 0.00 H new ATOM 0 HB3 GLU B 31 21.001 -5.332 7.070 1.00 0.00 H new ATOM 0 HG2 GLU B 31 19.101 -6.542 5.468 1.00 0.00 H new ATOM 0 HG3 GLU B 31 20.447 -7.644 5.255 1.00 0.00 H new ATOM 1154 N LEU B 32 21.590 -2.378 5.218 1.00 0.00 N ATOM 1155 CA LEU B 32 21.772 -1.016 5.797 1.00 0.00 C ATOM 1156 C LEU B 32 20.892 -0.011 5.052 1.00 0.00 C ATOM 1157 O LEU B 32 20.433 0.963 5.612 1.00 0.00 O ATOM 1158 CB LEU B 32 23.251 -0.696 5.547 1.00 0.00 C ATOM 1159 CG LEU B 32 23.754 0.373 6.522 1.00 0.00 C ATOM 1160 CD1 LEU B 32 25.240 0.618 6.259 1.00 0.00 C ATOM 1161 CD2 LEU B 32 22.992 1.683 6.312 1.00 0.00 C ATOM 0 H LEU B 32 22.176 -2.578 4.407 1.00 0.00 H new ATOM 0 HA LEU B 32 21.501 -0.968 6.852 1.00 0.00 H new ATOM 0 HB2 LEU B 32 23.846 -1.602 5.657 1.00 0.00 H new ATOM 0 HB3 LEU B 32 23.384 -0.350 4.522 1.00 0.00 H new ATOM 0 HG LEU B 32 23.597 0.029 7.544 1.00 0.00 H new ATOM 0 HD11 LEU B 32 25.611 1.378 6.947 1.00 0.00 H new ATOM 0 HD12 LEU B 32 25.794 -0.309 6.409 1.00 0.00 H new ATOM 0 HD13 LEU B 32 25.376 0.960 5.233 1.00 0.00 H new ATOM 0 HD21 LEU B 32 23.360 2.434 7.011 1.00 0.00 H new ATOM 0 HD22 LEU B 32 23.144 2.033 5.291 1.00 0.00 H new ATOM 0 HD23 LEU B 32 21.929 1.517 6.484 1.00 0.00 H new ATOM 1173 N ILE B 33 20.676 -0.226 3.780 1.00 0.00 N ATOM 1174 CA ILE B 33 19.852 0.743 2.998 1.00 0.00 C ATOM 1175 C ILE B 33 18.628 0.049 2.387 1.00 0.00 C ATOM 1176 O ILE B 33 17.691 0.692 1.955 1.00 0.00 O ATOM 1177 CB ILE B 33 20.795 1.268 1.905 1.00 0.00 C ATOM 1178 CG1 ILE B 33 21.103 0.150 0.904 1.00 0.00 C ATOM 1179 CG2 ILE B 33 22.100 1.759 2.549 1.00 0.00 C ATOM 1180 CD1 ILE B 33 21.972 0.697 -0.226 1.00 0.00 C ATOM 0 H ILE B 33 21.031 -1.024 3.253 1.00 0.00 H new ATOM 0 HA ILE B 33 19.462 1.549 3.620 1.00 0.00 H new ATOM 0 HB ILE B 33 20.315 2.094 1.380 1.00 0.00 H new ATOM 0 HG12 ILE B 33 21.616 -0.670 1.406 1.00 0.00 H new ATOM 0 HG13 ILE B 33 20.175 -0.255 0.499 1.00 0.00 H new ATOM 0 HG21 ILE B 33 22.770 2.132 1.774 1.00 0.00 H new ATOM 0 HG22 ILE B 33 21.879 2.560 3.254 1.00 0.00 H new ATOM 0 HG23 ILE B 33 22.579 0.934 3.076 1.00 0.00 H new ATOM 0 HD11 ILE B 33 22.189 -0.101 -0.936 1.00 0.00 H new ATOM 0 HD12 ILE B 33 21.442 1.502 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE B 33 22.905 1.080 0.186 1.00 0.00 H new ATOM 1192 N LYS B 34 18.628 -1.255 2.347 1.00 0.00 N ATOM 1193 CA LYS B 34 17.465 -1.984 1.764 1.00 0.00 C ATOM 1194 C LYS B 34 17.163 -1.462 0.357 1.00 0.00 C ATOM 1195 O LYS B 34 16.470 -0.478 0.185 1.00 0.00 O ATOM 1196 CB LYS B 34 16.300 -1.690 2.709 1.00 0.00 C ATOM 1197 CG LYS B 34 15.369 -2.902 2.764 1.00 0.00 C ATOM 1198 CD LYS B 34 16.081 -4.062 3.462 1.00 0.00 C ATOM 1199 CE LYS B 34 15.057 -4.903 4.226 1.00 0.00 C ATOM 1200 NZ LYS B 34 15.594 -6.293 4.178 1.00 0.00 N ATOM 0 H LYS B 34 19.383 -1.848 2.693 1.00 0.00 H new ATOM 0 HA LYS B 34 17.653 -3.054 1.670 1.00 0.00 H new ATOM 0 HB2 LYS B 34 16.676 -1.461 3.706 1.00 0.00 H new ATOM 0 HB3 LYS B 34 15.752 -0.812 2.366 1.00 0.00 H new ATOM 0 HG2 LYS B 34 14.455 -2.647 3.300 1.00 0.00 H new ATOM 0 HG3 LYS B 34 15.076 -3.195 1.756 1.00 0.00 H new ATOM 0 HD2 LYS B 34 16.599 -4.679 2.728 1.00 0.00 H new ATOM 0 HD3 LYS B 34 16.837 -3.679 4.147 1.00 0.00 H new ATOM 0 HE2 LYS B 34 14.948 -4.556 5.254 1.00 0.00 H new ATOM 0 HE3 LYS B 34 14.072 -4.843 3.763 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 14.947 -6.933 4.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 15.681 -6.598 3.187 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 16.530 -6.320 4.631 1.00 0.00 H new ATOM 1214 N GLY B 35 17.676 -2.113 -0.651 1.00 0.00 N ATOM 1215 CA GLY B 35 17.417 -1.654 -2.045 1.00 0.00 C ATOM 1216 C GLY B 35 18.701 -1.768 -2.868 1.00 0.00 C ATOM 1217 O GLY B 35 18.642 -2.340 -3.944 1.00 0.00 O ATOM 1218 OXT GLY B 35 19.721 -1.282 -2.409 1.00 0.00 O ATOM 0 H GLY B 35 18.263 -2.943 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY B 35 16.629 -2.256 -2.497 1.00 0.00 H new ATOM 0 HA3 GLY B 35 17.066 -0.622 -2.040 1.00 0.00 H new TER 1222 GLY B 35