USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 548 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 LYS N :NH3+ -155:sc= -0.276 (180deg=-1.29!) USER MOD Single : A 1 LYS NZ :NH3+ -164:sc= -0.078 (180deg=-0.712) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= -0.0245 (180deg=-0.303) USER MOD Single : A 8 ASN : amide:sc= -2.96! K(o=-3!,f=-1.8) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot -15:sc= -0.779 USER MOD Single : B 27 HIS : no HD1:sc= -9.61! C(o=-9.6!,f=-8.5!) USER MOD Single : B 30 LYS NZ :NH3+ 133:sc= -0.0846 (180deg=-0.645) USER MOD Single : B 34 LYS NZ :NH3+ 152:sc= -0.286 (180deg=-1.44!) USER MOD Single : B 43 LYS NZ :NH3+ 136:sc= -0.2 (180deg=-0.948) USER MOD Single : B 46 THR OG1 : rot 17:sc= 0.715 USER MOD Single : B 48 ASN : amide:sc= -0.775 K(o=-0.77,f=-1.5!) USER MOD Single : B 49 ASN : amide:sc= -1.55! C(o=-1.5!,f=-8.5!) USER MOD Single : B 52 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 LYS NZ :NH3+ -159:sc= -0.0419 (180deg=-0.597) USER MOD Single : B 56 THR OG1 : rot 180:sc= -0.354 USER MOD Single : B 57 SER OG : rot -82:sc= -0.0427! USER MOD Single : B 58 THR OG1 : rot 47:sc= 0.373 USER MOD Single : B 60 THR OG1 : rot 180:sc= -0.0248 USER MOD Single : B 61 ASN : amide:sc= -2.18! C(o=-2.2!,f=-2.2!) USER MOD Single : B 63 THR OG1 : rot 180:sc= -1.98! USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot -39:sc= 0.5 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -23.767 7.489 -6.414 1.00 1.61 N ATOM 2 CA LYS A 1 -23.575 8.833 -5.799 1.00 0.97 C ATOM 3 C LYS A 1 -23.091 9.815 -6.868 1.00 0.57 C ATOM 4 O LYS A 1 -23.748 10.791 -7.172 1.00 1.10 O ATOM 5 CB LYS A 1 -22.532 8.740 -4.678 1.00 1.90 C ATOM 6 CG LYS A 1 -22.968 7.698 -3.635 1.00 1.99 C ATOM 7 CD LYS A 1 -24.028 8.294 -2.700 1.00 2.41 C ATOM 8 CE LYS A 1 -24.271 7.339 -1.532 1.00 3.14 C ATOM 9 NZ LYS A 1 -24.280 5.935 -2.030 1.00 3.88 N ATOM 0 H1 LYS A 1 -24.462 6.950 -5.860 1.00 1.61 H new ATOM 0 H2 LYS A 1 -24.112 7.599 -7.389 1.00 1.61 H new ATOM 0 H3 LYS A 1 -22.861 6.979 -6.423 1.00 1.61 H new ATOM 0 HA LYS A 1 -24.521 9.182 -5.384 1.00 0.97 H new ATOM 0 HB2 LYS A 1 -21.563 8.465 -5.094 1.00 1.90 H new ATOM 0 HB3 LYS A 1 -22.410 9.713 -4.202 1.00 1.90 H new ATOM 0 HG2 LYS A 1 -23.369 6.817 -4.136 1.00 1.99 H new ATOM 0 HG3 LYS A 1 -22.105 7.370 -3.056 1.00 1.99 H new ATOM 0 HD2 LYS A 1 -23.697 9.264 -2.328 1.00 2.41 H new ATOM 0 HD3 LYS A 1 -24.957 8.462 -3.246 1.00 2.41 H new ATOM 0 HE2 LYS A 1 -23.493 7.464 -0.779 1.00 3.14 H new ATOM 0 HE3 LYS A 1 -25.221 7.571 -1.050 1.00 3.14 H new ATOM 0 HZ1 LYS A 1 -24.706 5.315 -1.312 1.00 3.88 H new ATOM 0 HZ2 LYS A 1 -24.836 5.881 -2.907 1.00 3.88 H new ATOM 0 HZ3 LYS A 1 -23.305 5.627 -2.219 1.00 3.88 H new ATOM 25 N VAL A 2 -21.946 9.565 -7.442 1.00 0.65 N ATOM 26 CA VAL A 2 -21.420 10.483 -8.493 1.00 0.45 C ATOM 27 C VAL A 2 -20.268 9.791 -9.230 1.00 0.47 C ATOM 28 O VAL A 2 -20.480 8.926 -10.056 1.00 0.88 O ATOM 29 CB VAL A 2 -20.944 11.789 -7.828 1.00 0.73 C ATOM 30 CG1 VAL A 2 -20.157 11.468 -6.538 1.00 1.03 C ATOM 31 CG2 VAL A 2 -20.074 12.631 -8.808 1.00 1.00 C ATOM 0 H VAL A 2 -21.351 8.764 -7.229 1.00 0.65 H new ATOM 0 HA VAL A 2 -22.200 10.725 -9.215 1.00 0.45 H new ATOM 0 HB VAL A 2 -21.820 12.383 -7.568 1.00 0.73 H new ATOM 0 HG11 VAL A 2 -19.824 12.397 -6.074 1.00 1.03 H new ATOM 0 HG12 VAL A 2 -20.800 10.926 -5.845 1.00 1.03 H new ATOM 0 HG13 VAL A 2 -19.290 10.854 -6.784 1.00 1.03 H new ATOM 0 HG21 VAL A 2 -19.752 13.547 -8.313 1.00 1.00 H new ATOM 0 HG22 VAL A 2 -19.200 12.053 -9.107 1.00 1.00 H new ATOM 0 HG23 VAL A 2 -20.661 12.883 -9.691 1.00 1.00 H new ATOM 41 N GLY A 3 -19.053 10.155 -8.939 1.00 0.41 N ATOM 42 CA GLY A 3 -17.902 9.509 -9.618 1.00 0.54 C ATOM 43 C GLY A 3 -17.877 8.030 -9.245 1.00 0.41 C ATOM 44 O GLY A 3 -17.468 7.186 -10.015 1.00 0.45 O ATOM 0 H GLY A 3 -18.808 10.874 -8.258 1.00 0.41 H new ATOM 0 HA2 GLY A 3 -17.988 9.624 -10.698 1.00 0.54 H new ATOM 0 HA3 GLY A 3 -16.970 9.989 -9.320 1.00 0.54 H new ATOM 48 N PHE A 4 -18.321 7.717 -8.062 1.00 0.38 N ATOM 49 CA PHE A 4 -18.333 6.297 -7.613 1.00 0.44 C ATOM 50 C PHE A 4 -18.938 5.409 -8.708 1.00 0.47 C ATOM 51 O PHE A 4 -18.358 4.419 -9.110 1.00 0.68 O ATOM 52 CB PHE A 4 -19.178 6.177 -6.334 1.00 0.57 C ATOM 53 CG PHE A 4 -18.377 6.637 -5.130 1.00 0.70 C ATOM 54 CD1 PHE A 4 -18.024 7.987 -4.994 1.00 1.35 C ATOM 55 CD2 PHE A 4 -17.994 5.714 -4.146 1.00 1.56 C ATOM 56 CE1 PHE A 4 -17.290 8.411 -3.879 1.00 1.52 C ATOM 57 CE2 PHE A 4 -17.259 6.140 -3.032 1.00 1.74 C ATOM 58 CZ PHE A 4 -16.909 7.487 -2.898 1.00 1.26 C ATOM 0 H PHE A 4 -18.679 8.387 -7.382 1.00 0.38 H new ATOM 0 HA PHE A 4 -17.312 5.973 -7.413 1.00 0.44 H new ATOM 0 HB2 PHE A 4 -20.082 6.778 -6.429 1.00 0.57 H new ATOM 0 HB3 PHE A 4 -19.496 5.144 -6.195 1.00 0.57 H new ATOM 0 HD1 PHE A 4 -18.318 8.700 -5.749 1.00 1.35 H new ATOM 0 HD2 PHE A 4 -18.266 4.674 -4.247 1.00 1.56 H new ATOM 0 HE1 PHE A 4 -17.018 9.451 -3.776 1.00 1.52 H new ATOM 0 HE2 PHE A 4 -16.963 5.428 -2.276 1.00 1.74 H new ATOM 0 HZ PHE A 4 -16.345 7.815 -2.038 1.00 1.26 H new ATOM 68 N PHE A 5 -20.108 5.742 -9.178 1.00 0.45 N ATOM 69 CA PHE A 5 -20.753 4.900 -10.225 1.00 0.59 C ATOM 70 C PHE A 5 -19.946 4.956 -11.536 1.00 0.56 C ATOM 71 O PHE A 5 -19.719 3.943 -12.170 1.00 0.72 O ATOM 72 CB PHE A 5 -22.223 5.364 -10.420 1.00 0.72 C ATOM 73 CG PHE A 5 -22.390 6.218 -11.663 1.00 0.73 C ATOM 74 CD1 PHE A 5 -22.362 5.617 -12.925 1.00 1.48 C ATOM 75 CD2 PHE A 5 -22.584 7.600 -11.548 1.00 1.39 C ATOM 76 CE1 PHE A 5 -22.526 6.396 -14.076 1.00 1.65 C ATOM 77 CE2 PHE A 5 -22.747 8.381 -12.700 1.00 1.44 C ATOM 78 CZ PHE A 5 -22.718 7.779 -13.964 1.00 1.10 C ATOM 0 H PHE A 5 -20.644 6.558 -8.884 1.00 0.45 H new ATOM 0 HA PHE A 5 -20.765 3.857 -9.908 1.00 0.59 H new ATOM 0 HB2 PHE A 5 -22.872 4.491 -10.490 1.00 0.72 H new ATOM 0 HB3 PHE A 5 -22.543 5.930 -9.545 1.00 0.72 H new ATOM 0 HD1 PHE A 5 -22.214 4.551 -13.012 1.00 1.48 H new ATOM 0 HD2 PHE A 5 -22.608 8.063 -10.573 1.00 1.39 H new ATOM 0 HE1 PHE A 5 -22.505 5.931 -15.050 1.00 1.65 H new ATOM 0 HE2 PHE A 5 -22.895 9.447 -12.613 1.00 1.44 H new ATOM 0 HZ PHE A 5 -22.844 8.381 -14.852 1.00 1.10 H new ATOM 88 N LYS A 6 -19.514 6.123 -11.953 1.00 0.47 N ATOM 89 CA LYS A 6 -18.731 6.218 -13.231 1.00 0.55 C ATOM 90 C LYS A 6 -17.228 6.231 -12.932 1.00 0.47 C ATOM 91 O LYS A 6 -16.488 7.039 -13.457 1.00 0.56 O ATOM 92 CB LYS A 6 -19.114 7.498 -13.984 1.00 0.71 C ATOM 93 CG LYS A 6 -18.928 8.716 -13.073 1.00 1.24 C ATOM 94 CD LYS A 6 -19.462 9.988 -13.760 1.00 1.40 C ATOM 95 CE LYS A 6 -18.380 10.598 -14.659 1.00 1.81 C ATOM 96 NZ LYS A 6 -17.337 11.239 -13.810 1.00 2.26 N ATOM 0 H LYS A 6 -19.667 7.008 -11.470 1.00 0.47 H new ATOM 0 HA LYS A 6 -18.964 5.351 -13.848 1.00 0.55 H new ATOM 0 HB2 LYS A 6 -18.497 7.603 -14.877 1.00 0.71 H new ATOM 0 HB3 LYS A 6 -20.150 7.438 -14.318 1.00 0.71 H new ATOM 0 HG2 LYS A 6 -19.452 8.557 -12.131 1.00 1.24 H new ATOM 0 HG3 LYS A 6 -17.872 8.841 -12.833 1.00 1.24 H new ATOM 0 HD2 LYS A 6 -20.344 9.747 -14.353 1.00 1.40 H new ATOM 0 HD3 LYS A 6 -19.772 10.714 -13.008 1.00 1.40 H new ATOM 0 HE2 LYS A 6 -17.932 9.825 -15.284 1.00 1.81 H new ATOM 0 HE3 LYS A 6 -18.822 11.334 -15.330 1.00 1.81 H new ATOM 0 HZ1 LYS A 6 -16.824 11.951 -14.368 1.00 2.26 H new ATOM 0 HZ2 LYS A 6 -17.788 11.699 -12.994 1.00 2.26 H new ATOM 0 HZ3 LYS A 6 -16.670 10.515 -13.474 1.00 2.26 H new ATOM 110 N ARG A 7 -16.767 5.331 -12.102 1.00 0.52 N ATOM 111 CA ARG A 7 -15.305 5.281 -11.779 1.00 0.56 C ATOM 112 C ARG A 7 -14.878 3.842 -11.493 1.00 0.59 C ATOM 113 O ARG A 7 -13.715 3.506 -11.604 1.00 0.71 O ATOM 114 CB ARG A 7 -15.011 6.151 -10.554 1.00 0.76 C ATOM 115 CG ARG A 7 -13.521 6.056 -10.204 1.00 1.21 C ATOM 116 CD ARG A 7 -13.181 7.077 -9.117 1.00 1.68 C ATOM 117 NE ARG A 7 -11.700 7.207 -9.008 1.00 2.21 N ATOM 118 CZ ARG A 7 -11.179 8.214 -8.363 1.00 2.78 C ATOM 119 NH1 ARG A 7 -11.953 9.102 -7.802 1.00 3.15 N ATOM 120 NH2 ARG A 7 -9.882 8.333 -8.276 1.00 3.45 N ATOM 0 H ARG A 7 -17.338 4.628 -11.633 1.00 0.52 H new ATOM 0 HA ARG A 7 -14.745 5.658 -12.635 1.00 0.56 H new ATOM 0 HB2 ARG A 7 -15.282 7.187 -10.757 1.00 0.76 H new ATOM 0 HB3 ARG A 7 -15.616 5.823 -9.708 1.00 0.76 H new ATOM 0 HG2 ARG A 7 -13.282 5.050 -9.859 1.00 1.21 H new ATOM 0 HG3 ARG A 7 -12.916 6.241 -11.092 1.00 1.21 H new ATOM 0 HD2 ARG A 7 -13.625 8.043 -9.357 1.00 1.68 H new ATOM 0 HD3 ARG A 7 -13.601 6.762 -8.162 1.00 1.68 H new ATOM 0 HE ARG A 7 -11.094 6.508 -9.438 1.00 2.21 H new ATOM 0 HH11 ARG A 7 -12.967 9.009 -7.868 1.00 3.15 H new ATOM 0 HH12 ARG A 7 -11.544 9.889 -7.298 1.00 3.15 H new ATOM 0 HH21 ARG A 7 -9.276 7.638 -8.712 1.00 3.45 H new ATOM 0 HH22 ARG A 7 -9.475 9.121 -7.772 1.00 3.45 H new ATOM 134 N ASN A 8 -15.800 2.988 -11.119 1.00 0.59 N ATOM 135 CA ASN A 8 -15.439 1.563 -10.817 1.00 0.68 C ATOM 136 C ASN A 8 -16.386 0.626 -11.579 1.00 0.60 C ATOM 137 O ASN A 8 -16.089 -0.530 -11.787 1.00 0.62 O ATOM 138 CB ASN A 8 -15.550 1.314 -9.293 1.00 0.91 C ATOM 139 CG ASN A 8 -15.537 2.643 -8.539 1.00 1.63 C ATOM 140 OD1 ASN A 8 -14.503 3.267 -8.392 1.00 2.44 O ATOM 141 ND2 ASN A 8 -16.652 3.101 -8.055 1.00 1.47 N ATOM 0 H ASN A 8 -16.788 3.215 -11.009 1.00 0.59 H new ATOM 0 HA ASN A 8 -14.414 1.367 -11.133 1.00 0.68 H new ATOM 0 HB2 ASN A 8 -16.469 0.771 -9.072 1.00 0.91 H new ATOM 0 HB3 ASN A 8 -14.722 0.689 -8.958 1.00 0.91 H new ATOM 0 HD21 ASN A 8 -16.663 3.987 -7.550 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -17.517 2.575 -8.180 1.00 1.47 H new ATOM 148 N ARG A 9 -17.524 1.112 -11.992 1.00 0.66 N ATOM 149 CA ARG A 9 -18.487 0.259 -12.730 1.00 0.76 C ATOM 150 C ARG A 9 -18.175 0.187 -14.250 1.00 0.57 C ATOM 151 O ARG A 9 -18.444 -0.832 -14.855 1.00 0.61 O ATOM 152 CB ARG A 9 -19.908 0.814 -12.530 1.00 1.15 C ATOM 153 CG ARG A 9 -20.109 1.367 -11.105 1.00 1.16 C ATOM 154 CD ARG A 9 -20.154 0.226 -10.080 1.00 1.56 C ATOM 155 NE ARG A 9 -19.923 0.782 -8.716 1.00 1.99 N ATOM 156 CZ ARG A 9 -20.207 0.064 -7.663 1.00 2.90 C ATOM 157 NH1 ARG A 9 -20.688 -1.140 -7.805 1.00 3.37 N ATOM 158 NH2 ARG A 9 -20.009 0.552 -6.468 1.00 3.67 N ATOM 0 H ARG A 9 -17.827 2.075 -11.846 1.00 0.66 H new ATOM 0 HA ARG A 9 -18.404 -0.752 -12.331 1.00 0.76 H new ATOM 0 HB2 ARG A 9 -20.096 1.604 -13.257 1.00 1.15 H new ATOM 0 HB3 ARG A 9 -20.637 0.026 -12.721 1.00 1.15 H new ATOM 0 HG2 ARG A 9 -19.298 2.052 -10.858 1.00 1.16 H new ATOM 0 HG3 ARG A 9 -21.035 1.940 -11.059 1.00 1.16 H new ATOM 0 HD2 ARG A 9 -21.120 -0.278 -10.121 1.00 1.56 H new ATOM 0 HD3 ARG A 9 -19.395 -0.520 -10.315 1.00 1.56 H new ATOM 0 HE ARG A 9 -19.543 1.722 -8.606 1.00 1.99 H new ATOM 0 HH11 ARG A 9 -20.842 -1.521 -8.739 1.00 3.37 H new ATOM 0 HH12 ARG A 9 -20.910 -1.701 -6.982 1.00 3.37 H new ATOM 0 HH21 ARG A 9 -19.633 1.494 -6.358 1.00 3.67 H new ATOM 0 HH22 ARG A 9 -20.231 -0.008 -5.645 1.00 3.67 H new ATOM 172 N PRO A 10 -17.653 1.247 -14.853 1.00 0.48 N ATOM 173 CA PRO A 10 -17.374 1.237 -16.310 1.00 0.50 C ATOM 174 C PRO A 10 -16.426 0.091 -16.761 1.00 0.48 C ATOM 175 O PRO A 10 -16.701 -0.534 -17.766 1.00 0.62 O ATOM 176 CB PRO A 10 -16.782 2.631 -16.621 1.00 0.58 C ATOM 177 CG PRO A 10 -16.889 3.478 -15.321 1.00 0.57 C ATOM 178 CD PRO A 10 -17.313 2.528 -14.178 1.00 0.53 C ATOM 0 HA PRO A 10 -18.290 1.042 -16.868 1.00 0.50 H new ATOM 0 HB2 PRO A 10 -15.743 2.545 -16.940 1.00 0.58 H new ATOM 0 HB3 PRO A 10 -17.327 3.107 -17.436 1.00 0.58 H new ATOM 0 HG2 PRO A 10 -15.934 3.950 -15.092 1.00 0.57 H new ATOM 0 HG3 PRO A 10 -17.619 4.278 -15.444 1.00 0.57 H new ATOM 0 HD2 PRO A 10 -16.507 2.393 -13.457 1.00 0.53 H new ATOM 0 HD3 PRO A 10 -18.168 2.925 -13.630 1.00 0.53 H new ATOM 186 N PRO A 11 -15.336 -0.158 -16.058 1.00 0.44 N ATOM 187 CA PRO A 11 -14.395 -1.219 -16.474 1.00 0.58 C ATOM 188 C PRO A 11 -15.118 -2.568 -16.603 1.00 0.60 C ATOM 189 O PRO A 11 -15.296 -3.081 -17.690 1.00 0.91 O ATOM 190 CB PRO A 11 -13.308 -1.245 -15.375 1.00 0.66 C ATOM 191 CG PRO A 11 -13.558 -0.013 -14.460 1.00 0.57 C ATOM 192 CD PRO A 11 -14.947 0.556 -14.825 1.00 0.41 C ATOM 0 HA PRO A 11 -13.959 -1.028 -17.454 1.00 0.58 H new ATOM 0 HB2 PRO A 11 -13.362 -2.170 -14.800 1.00 0.66 H new ATOM 0 HB3 PRO A 11 -12.312 -1.202 -15.816 1.00 0.66 H new ATOM 0 HG2 PRO A 11 -13.525 -0.302 -13.409 1.00 0.57 H new ATOM 0 HG3 PRO A 11 -12.783 0.739 -14.608 1.00 0.57 H new ATOM 0 HD2 PRO A 11 -15.667 0.385 -14.025 1.00 0.41 H new ATOM 0 HD3 PRO A 11 -14.903 1.633 -14.989 1.00 0.41 H new ATOM 200 N LEU A 12 -15.539 -3.141 -15.513 1.00 0.55 N ATOM 201 CA LEU A 12 -16.252 -4.450 -15.596 1.00 0.62 C ATOM 202 C LEU A 12 -17.446 -4.304 -16.547 1.00 0.57 C ATOM 203 O LEU A 12 -17.403 -4.745 -17.678 1.00 0.87 O ATOM 204 CB LEU A 12 -16.736 -4.899 -14.189 1.00 0.80 C ATOM 205 CG LEU A 12 -16.725 -3.711 -13.199 1.00 0.87 C ATOM 206 CD1 LEU A 12 -17.780 -3.934 -12.109 1.00 1.13 C ATOM 207 CD2 LEU A 12 -15.344 -3.600 -12.536 1.00 1.05 C ATOM 0 H LEU A 12 -15.423 -2.765 -14.572 1.00 0.55 H new ATOM 0 HA LEU A 12 -15.570 -5.211 -15.975 1.00 0.62 H new ATOM 0 HB2 LEU A 12 -17.743 -5.310 -14.260 1.00 0.80 H new ATOM 0 HB3 LEU A 12 -16.093 -5.696 -13.815 1.00 0.80 H new ATOM 0 HG LEU A 12 -16.947 -2.795 -13.746 1.00 0.87 H new ATOM 0 HD11 LEU A 12 -17.768 -3.094 -11.414 1.00 1.13 H new ATOM 0 HD12 LEU A 12 -18.766 -4.012 -12.567 1.00 1.13 H new ATOM 0 HD13 LEU A 12 -17.557 -4.855 -11.570 1.00 1.13 H new ATOM 0 HD21 LEU A 12 -15.341 -2.762 -11.839 1.00 1.05 H new ATOM 0 HD22 LEU A 12 -15.124 -4.521 -11.996 1.00 1.05 H new ATOM 0 HD23 LEU A 12 -14.585 -3.438 -13.301 1.00 1.05 H new ATOM 219 N GLU A 13 -18.510 -3.686 -16.091 1.00 0.65 N ATOM 220 CA GLU A 13 -19.722 -3.498 -16.953 1.00 0.75 C ATOM 221 C GLU A 13 -20.041 -2.007 -17.062 1.00 0.74 C ATOM 222 O GLU A 13 -19.163 -1.183 -17.217 1.00 0.95 O ATOM 223 CB GLU A 13 -20.912 -4.223 -16.321 1.00 1.03 C ATOM 224 CG GLU A 13 -20.540 -5.681 -16.049 1.00 1.27 C ATOM 225 CD GLU A 13 -21.800 -6.474 -15.700 1.00 1.82 C ATOM 226 OE1 GLU A 13 -22.818 -5.850 -15.447 1.00 2.40 O ATOM 227 OE2 GLU A 13 -21.727 -7.692 -15.690 1.00 2.42 O ATOM 0 H GLU A 13 -18.592 -3.300 -15.150 1.00 0.65 H new ATOM 0 HA GLU A 13 -19.529 -3.905 -17.946 1.00 0.75 H new ATOM 0 HB2 GLU A 13 -21.198 -3.731 -15.392 1.00 1.03 H new ATOM 0 HB3 GLU A 13 -21.774 -4.175 -16.986 1.00 1.03 H new ATOM 0 HG2 GLU A 13 -20.057 -6.113 -16.925 1.00 1.27 H new ATOM 0 HG3 GLU A 13 -19.824 -5.738 -15.229 1.00 1.27 H new ATOM 234 N GLU A 14 -21.298 -1.653 -16.978 1.00 0.68 N ATOM 235 CA GLU A 14 -21.688 -0.213 -17.072 1.00 0.89 C ATOM 236 C GLU A 14 -22.844 0.056 -16.109 1.00 0.94 C ATOM 237 O GLU A 14 -23.278 1.179 -15.939 1.00 1.55 O ATOM 238 CB GLU A 14 -22.129 0.103 -18.505 1.00 1.17 C ATOM 239 CG GLU A 14 -21.152 -0.536 -19.494 1.00 1.14 C ATOM 240 CD GLU A 14 -21.518 -0.115 -20.919 1.00 1.64 C ATOM 241 OE1 GLU A 14 -22.697 -0.127 -21.234 1.00 2.31 O ATOM 242 OE2 GLU A 14 -20.613 0.210 -21.670 1.00 2.06 O ATOM 0 H GLU A 14 -22.074 -2.302 -16.848 1.00 0.68 H new ATOM 0 HA GLU A 14 -20.838 0.417 -16.809 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -23.137 -0.275 -18.678 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -22.163 1.182 -18.657 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -20.132 -0.229 -19.264 1.00 1.14 H new ATOM 0 HG3 GLU A 14 -21.186 -1.622 -19.404 1.00 1.14 H new ATOM 249 N ASP A 15 -23.346 -0.968 -15.473 1.00 1.07 N ATOM 250 CA ASP A 15 -24.464 -0.786 -14.521 1.00 1.20 C ATOM 251 C ASP A 15 -24.089 0.278 -13.486 1.00 1.34 C ATOM 252 O ASP A 15 -22.936 0.443 -13.142 1.00 2.23 O ATOM 253 CB ASP A 15 -24.727 -2.120 -13.824 1.00 1.49 C ATOM 254 CG ASP A 15 -23.546 -2.469 -12.915 1.00 1.87 C ATOM 255 OD1 ASP A 15 -23.515 -1.974 -11.800 1.00 2.50 O ATOM 256 OD2 ASP A 15 -22.691 -3.224 -13.350 1.00 2.03 O ATOM 0 H ASP A 15 -23.022 -1.929 -15.578 1.00 1.07 H new ATOM 0 HA ASP A 15 -25.360 -0.460 -15.050 1.00 1.20 H new ATOM 0 HB2 ASP A 15 -25.644 -2.060 -13.238 1.00 1.49 H new ATOM 0 HB3 ASP A 15 -24.873 -2.906 -14.565 1.00 1.49 H new ATOM 261 N ASP A 16 -25.055 0.997 -12.982 1.00 1.38 N ATOM 262 CA ASP A 16 -24.758 2.039 -11.973 1.00 1.96 C ATOM 263 C ASP A 16 -24.545 1.372 -10.614 1.00 2.73 C ATOM 264 O ASP A 16 -23.478 0.874 -10.312 1.00 3.35 O ATOM 265 CB ASP A 16 -25.949 3.003 -11.899 1.00 1.75 C ATOM 266 CG ASP A 16 -25.834 4.059 -13.004 1.00 2.35 C ATOM 267 OD1 ASP A 16 -26.133 3.732 -14.141 1.00 2.63 O ATOM 268 OD2 ASP A 16 -25.449 5.174 -12.695 1.00 3.01 O ATOM 0 H ASP A 16 -26.040 0.903 -13.230 1.00 1.38 H new ATOM 0 HA ASP A 16 -23.858 2.589 -12.248 1.00 1.96 H new ATOM 0 HB2 ASP A 16 -26.882 2.451 -12.007 1.00 1.75 H new ATOM 0 HB3 ASP A 16 -25.976 3.487 -10.923 1.00 1.75 H new ATOM 273 N GLU A 17 -25.557 1.367 -9.794 1.00 2.99 N ATOM 274 CA GLU A 17 -25.441 0.742 -8.443 1.00 3.97 C ATOM 275 C GLU A 17 -26.740 0.004 -8.112 1.00 4.44 C ATOM 276 O GLU A 17 -26.726 -1.076 -7.556 1.00 4.39 O ATOM 277 CB GLU A 17 -25.210 1.841 -7.407 1.00 4.23 C ATOM 278 CG GLU A 17 -24.009 2.698 -7.814 1.00 4.26 C ATOM 279 CD GLU A 17 -22.766 1.816 -7.938 1.00 5.23 C ATOM 280 OE1 GLU A 17 -22.621 0.914 -7.130 1.00 5.91 O ATOM 281 OE2 GLU A 17 -21.980 2.058 -8.840 1.00 5.57 O ATOM 0 H GLU A 17 -26.470 1.773 -10.002 1.00 2.99 H new ATOM 0 HA GLU A 17 -24.609 0.038 -8.432 1.00 3.97 H new ATOM 0 HB2 GLU A 17 -26.100 2.464 -7.321 1.00 4.23 H new ATOM 0 HB3 GLU A 17 -25.036 1.398 -6.427 1.00 4.23 H new ATOM 0 HG2 GLU A 17 -24.210 3.196 -8.763 1.00 4.26 H new ATOM 0 HG3 GLU A 17 -23.840 3.480 -7.073 1.00 4.26 H new ATOM 288 N GLU A 18 -27.862 0.580 -8.446 1.00 5.24 N ATOM 289 CA GLU A 18 -29.162 -0.087 -8.149 1.00 5.97 C ATOM 290 C GLU A 18 -29.109 -1.545 -8.608 1.00 5.91 C ATOM 291 O GLU A 18 -29.836 -2.388 -8.120 1.00 6.62 O ATOM 292 CB GLU A 18 -30.287 0.635 -8.894 1.00 6.80 C ATOM 293 CG GLU A 18 -31.633 0.018 -8.508 1.00 7.66 C ATOM 294 CD GLU A 18 -32.767 0.878 -9.066 1.00 8.51 C ATOM 295 OE1 GLU A 18 -32.672 1.277 -10.215 1.00 8.98 O ATOM 296 OE2 GLU A 18 -33.714 1.123 -8.336 1.00 8.87 O ATOM 0 H GLU A 18 -27.935 1.484 -8.912 1.00 5.24 H new ATOM 0 HA GLU A 18 -29.349 -0.050 -7.076 1.00 5.97 H new ATOM 0 HB2 GLU A 18 -30.278 1.697 -8.648 1.00 6.80 H new ATOM 0 HB3 GLU A 18 -30.134 0.556 -9.970 1.00 6.80 H new ATOM 0 HG2 GLU A 18 -31.706 -0.997 -8.899 1.00 7.66 H new ATOM 0 HG3 GLU A 18 -31.715 -0.052 -7.423 1.00 7.66 H new ATOM 303 N GLY A 19 -28.252 -1.851 -9.545 1.00 5.28 N ATOM 304 CA GLY A 19 -28.149 -3.255 -10.035 1.00 5.61 C ATOM 305 C GLY A 19 -27.212 -4.039 -9.121 1.00 5.58 C ATOM 306 O GLY A 19 -27.283 -5.250 -9.033 1.00 6.33 O ATOM 0 H GLY A 19 -27.619 -1.188 -9.992 1.00 5.28 H new ATOM 0 HA2 GLY A 19 -29.135 -3.720 -10.051 1.00 5.61 H new ATOM 0 HA3 GLY A 19 -27.774 -3.269 -11.058 1.00 5.61 H new ATOM 310 N GLU A 20 -26.332 -3.357 -8.435 1.00 4.99 N ATOM 311 CA GLU A 20 -25.379 -4.052 -7.518 1.00 5.43 C ATOM 312 C GLU A 20 -25.902 -3.964 -6.082 1.00 5.84 C ATOM 313 O GLU A 20 -25.341 -4.629 -5.227 1.00 6.24 O ATOM 314 CB GLU A 20 -24.008 -3.376 -7.600 1.00 5.87 C ATOM 315 CG GLU A 20 -23.385 -3.635 -8.975 1.00 6.13 C ATOM 316 CD GLU A 20 -21.898 -3.285 -8.937 1.00 6.76 C ATOM 317 OE1 GLU A 20 -21.261 -3.602 -7.945 1.00 7.07 O ATOM 318 OE2 GLU A 20 -21.420 -2.707 -9.898 1.00 7.17 O ATOM 319 OXT GLU A 20 -26.854 -3.235 -5.863 1.00 6.10 O ATOM 0 H GLU A 20 -26.232 -2.343 -8.471 1.00 4.99 H new ATOM 0 HA GLU A 20 -25.288 -5.098 -7.812 1.00 5.43 H new ATOM 0 HB2 GLU A 20 -24.110 -2.304 -7.433 1.00 5.87 H new ATOM 0 HB3 GLU A 20 -23.355 -3.760 -6.816 1.00 5.87 H new ATOM 0 HG2 GLU A 20 -23.516 -4.681 -9.254 1.00 6.13 H new ATOM 0 HG3 GLU A 20 -23.891 -3.037 -9.733 1.00 6.13 H new TER 326 GLU A 20 ATOM 327 N LYS B 21 -17.706 19.764 -3.441 1.00 0.00 N ATOM 328 CA LYS B 21 -17.864 18.289 -3.589 1.00 0.00 C ATOM 329 C LYS B 21 -16.525 17.602 -3.305 1.00 0.00 C ATOM 330 O LYS B 21 -15.807 17.226 -4.207 1.00 0.00 O ATOM 331 CB LYS B 21 -18.311 17.965 -5.017 1.00 0.00 C ATOM 332 CG LYS B 21 -19.677 18.601 -5.285 1.00 0.00 C ATOM 333 CD LYS B 21 -20.220 18.093 -6.622 1.00 0.00 C ATOM 334 CE LYS B 21 -21.596 18.709 -6.885 1.00 0.00 C ATOM 335 NZ LYS B 21 -22.037 18.359 -8.265 1.00 0.00 N ATOM 0 HA LYS B 21 -18.613 17.931 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.578 18.339 -5.732 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -18.368 16.885 -5.155 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -20.370 18.353 -4.481 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -19.587 19.687 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -19.534 18.354 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -20.294 17.006 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -22.318 18.340 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -21.551 19.792 -6.769 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -22.972 18.776 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -21.352 18.731 -8.953 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -22.095 17.325 -8.359 1.00 0.00 H new ATOM 351 N LEU B 22 -16.187 17.433 -2.053 1.00 0.00 N ATOM 352 CA LEU B 22 -14.897 16.764 -1.701 1.00 0.00 C ATOM 353 C LEU B 22 -15.120 15.254 -1.676 1.00 0.00 C ATOM 354 O LEU B 22 -14.207 14.469 -1.832 1.00 0.00 O ATOM 355 CB LEU B 22 -14.427 17.229 -0.315 1.00 0.00 C ATOM 356 CG LEU B 22 -13.990 18.712 -0.359 1.00 0.00 C ATOM 357 CD1 LEU B 22 -15.205 19.634 -0.193 1.00 0.00 C ATOM 358 CD2 LEU B 22 -13.000 18.987 0.779 1.00 0.00 C ATOM 0 H LEU B 22 -16.750 17.730 -1.256 1.00 0.00 H new ATOM 0 HA LEU B 22 -14.138 17.022 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -15.232 17.102 0.409 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -13.596 16.609 0.020 1.00 0.00 H new ATOM 0 HG LEU B 22 -13.520 18.908 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -14.880 20.674 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -15.915 19.450 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -15.685 19.434 0.765 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -12.692 20.032 0.748 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -13.478 18.778 1.736 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -12.125 18.347 0.663 1.00 0.00 H new ATOM 370 N LEU B 23 -16.342 14.865 -1.479 1.00 0.00 N ATOM 371 CA LEU B 23 -16.710 13.420 -1.422 1.00 0.00 C ATOM 372 C LEU B 23 -16.016 12.669 -2.573 1.00 0.00 C ATOM 373 O LEU B 23 -15.902 11.462 -2.569 1.00 0.00 O ATOM 374 CB LEU B 23 -18.271 13.346 -1.465 1.00 0.00 C ATOM 375 CG LEU B 23 -18.837 12.372 -2.528 1.00 0.00 C ATOM 376 CD1 LEU B 23 -18.807 10.935 -1.993 1.00 0.00 C ATOM 377 CD2 LEU B 23 -20.290 12.763 -2.815 1.00 0.00 C ATOM 0 H LEU B 23 -17.127 15.503 -1.351 1.00 0.00 H new ATOM 0 HA LEU B 23 -16.371 12.933 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -18.635 13.044 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -18.665 14.344 -1.658 1.00 0.00 H new ATOM 0 HG LEU B 23 -18.234 12.429 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -19.207 10.257 -2.747 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -17.780 10.654 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -19.413 10.870 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -20.708 12.088 -3.562 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -20.874 12.694 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -20.324 13.786 -3.190 1.00 0.00 H new ATOM 389 N ILE B 24 -15.528 13.389 -3.541 1.00 0.00 N ATOM 390 CA ILE B 24 -14.811 12.768 -4.685 1.00 0.00 C ATOM 391 C ILE B 24 -13.323 12.821 -4.372 1.00 0.00 C ATOM 392 O ILE B 24 -12.590 11.868 -4.553 1.00 0.00 O ATOM 393 CB ILE B 24 -15.120 13.543 -5.977 1.00 0.00 C ATOM 394 CG1 ILE B 24 -14.425 14.914 -5.944 1.00 0.00 C ATOM 395 CG2 ILE B 24 -16.636 13.731 -6.096 1.00 0.00 C ATOM 396 CD1 ILE B 24 -14.969 15.815 -7.060 1.00 0.00 C ATOM 0 H ILE B 24 -15.598 14.406 -3.588 1.00 0.00 H new ATOM 0 HA ILE B 24 -15.129 11.736 -4.831 1.00 0.00 H new ATOM 0 HB ILE B 24 -14.751 12.983 -6.836 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -14.585 15.387 -4.975 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -13.349 14.787 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -16.864 14.280 -7.010 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -17.122 12.756 -6.128 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -17.002 14.291 -5.235 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -14.467 16.782 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -14.786 15.347 -8.027 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -16.041 15.957 -6.923 1.00 0.00 H new ATOM 408 N THR B 25 -12.889 13.944 -3.875 1.00 0.00 N ATOM 409 CA THR B 25 -11.463 14.108 -3.505 1.00 0.00 C ATOM 410 C THR B 25 -11.128 13.071 -2.444 1.00 0.00 C ATOM 411 O THR B 25 -10.163 12.342 -2.564 1.00 0.00 O ATOM 412 CB THR B 25 -11.231 15.515 -2.947 1.00 0.00 C ATOM 413 OG1 THR B 25 -12.132 15.752 -1.875 1.00 0.00 O ATOM 414 CG2 THR B 25 -11.462 16.549 -4.050 1.00 0.00 C ATOM 0 H THR B 25 -13.472 14.764 -3.708 1.00 0.00 H new ATOM 0 HA THR B 25 -10.827 13.972 -4.380 1.00 0.00 H new ATOM 0 HB THR B 25 -10.206 15.598 -2.585 1.00 0.00 H new ATOM 0 HG1 THR B 25 -12.847 15.082 -1.895 1.00 0.00 H new ATOM 0 HG21 THR B 25 -11.296 17.550 -3.651 1.00 0.00 H new ATOM 0 HG22 THR B 25 -10.769 16.366 -4.871 1.00 0.00 H new ATOM 0 HG23 THR B 25 -12.486 16.469 -4.415 1.00 0.00 H new ATOM 422 N ILE B 26 -11.926 12.970 -1.410 1.00 0.00 N ATOM 423 CA ILE B 26 -11.625 11.943 -0.385 1.00 0.00 C ATOM 424 C ILE B 26 -11.784 10.587 -1.064 1.00 0.00 C ATOM 425 O ILE B 26 -11.193 9.609 -0.660 1.00 0.00 O ATOM 426 CB ILE B 26 -12.531 12.099 0.883 1.00 0.00 C ATOM 427 CG1 ILE B 26 -13.548 10.937 1.033 1.00 0.00 C ATOM 428 CG2 ILE B 26 -13.285 13.431 0.843 1.00 0.00 C ATOM 429 CD1 ILE B 26 -14.493 10.844 -0.178 1.00 0.00 C ATOM 0 H ILE B 26 -12.752 13.543 -1.239 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.608 12.054 -0.009 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.866 12.074 1.746 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -13.010 9.996 1.147 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -14.134 11.082 1.941 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -13.910 13.522 1.732 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -12.570 14.253 0.816 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -13.913 13.467 -0.047 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -15.189 10.018 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -15.050 11.775 -0.277 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -13.909 10.673 -1.083 1.00 0.00 H new ATOM 441 N HIS B 27 -12.565 10.521 -2.118 1.00 0.00 N ATOM 442 CA HIS B 27 -12.711 9.208 -2.824 1.00 0.00 C ATOM 443 C HIS B 27 -11.595 9.074 -3.860 1.00 0.00 C ATOM 444 O HIS B 27 -11.358 8.014 -4.403 1.00 0.00 O ATOM 445 CB HIS B 27 -14.053 9.122 -3.548 1.00 0.00 C ATOM 446 CG HIS B 27 -14.264 7.714 -4.027 1.00 0.00 C ATOM 447 ND1 HIS B 27 -13.687 6.623 -3.396 1.00 0.00 N ATOM 448 CD2 HIS B 27 -14.975 7.206 -5.081 1.00 0.00 C ATOM 449 CE1 HIS B 27 -14.057 5.521 -4.074 1.00 0.00 C ATOM 450 NE2 HIS B 27 -14.845 5.822 -5.112 1.00 0.00 N ATOM 0 H HIS B 27 -13.095 11.298 -2.512 1.00 0.00 H new ATOM 0 HA HIS B 27 -12.655 8.410 -2.083 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -14.861 9.416 -2.878 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -14.070 9.813 -4.391 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -15.550 7.792 -5.783 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -13.755 4.518 -3.812 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -15.261 5.175 -5.782 1.00 0.00 H new ATOM 458 N ASP B 28 -10.924 10.154 -4.154 1.00 0.00 N ATOM 459 CA ASP B 28 -9.838 10.109 -5.176 1.00 0.00 C ATOM 460 C ASP B 28 -8.515 9.699 -4.538 1.00 0.00 C ATOM 461 O ASP B 28 -7.675 9.090 -5.170 1.00 0.00 O ATOM 462 CB ASP B 28 -9.677 11.496 -5.788 1.00 0.00 C ATOM 463 CG ASP B 28 -8.727 11.422 -6.985 1.00 0.00 C ATOM 464 OD1 ASP B 28 -7.548 11.195 -6.768 1.00 0.00 O ATOM 465 OD2 ASP B 28 -9.196 11.591 -8.099 1.00 0.00 O ATOM 0 H ASP B 28 -11.081 11.068 -3.730 1.00 0.00 H new ATOM 0 HA ASP B 28 -10.105 9.379 -5.940 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -10.647 11.880 -6.104 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -9.287 12.190 -5.044 1.00 0.00 H new ATOM 470 N ARG B 29 -8.313 10.028 -3.300 1.00 0.00 N ATOM 471 CA ARG B 29 -7.039 9.656 -2.642 1.00 0.00 C ATOM 472 C ARG B 29 -6.810 8.158 -2.815 1.00 0.00 C ATOM 473 O ARG B 29 -5.703 7.669 -2.704 1.00 0.00 O ATOM 474 CB ARG B 29 -7.103 10.033 -1.156 1.00 0.00 C ATOM 475 CG ARG B 29 -8.012 9.065 -0.390 1.00 0.00 C ATOM 476 CD ARG B 29 -8.211 9.561 1.046 1.00 0.00 C ATOM 477 NE ARG B 29 -8.689 10.974 1.041 1.00 0.00 N ATOM 478 CZ ARG B 29 -9.202 11.489 2.126 1.00 0.00 C ATOM 479 NH1 ARG B 29 -9.315 10.758 3.202 1.00 0.00 N ATOM 480 NH2 ARG B 29 -9.605 12.731 2.136 1.00 0.00 N ATOM 0 H ARG B 29 -8.975 10.538 -2.715 1.00 0.00 H new ATOM 0 HA ARG B 29 -6.207 10.193 -3.097 1.00 0.00 H new ATOM 0 HB2 ARG B 29 -6.101 10.015 -0.728 1.00 0.00 H new ATOM 0 HB3 ARG B 29 -7.476 11.051 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG B 29 -8.976 8.983 -0.892 1.00 0.00 H new ATOM 0 HG3 ARG B 29 -7.571 8.068 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG B 29 -8.933 8.927 1.561 1.00 0.00 H new ATOM 0 HD3 ARG B 29 -7.273 9.489 1.597 1.00 0.00 H new ATOM 0 HE ARG B 29 -8.615 11.536 0.193 1.00 0.00 H new ATOM 0 HH11 ARG B 29 -9.003 9.787 3.194 1.00 0.00 H new ATOM 0 HH12 ARG B 29 -9.715 11.158 4.051 1.00 0.00 H new ATOM 0 HH21 ARG B 29 -9.520 13.302 1.295 1.00 0.00 H new ATOM 0 HH22 ARG B 29 -10.005 13.130 2.985 1.00 0.00 H new ATOM 494 N LYS B 30 -7.849 7.428 -3.099 1.00 0.00 N ATOM 495 CA LYS B 30 -7.697 5.965 -3.296 1.00 0.00 C ATOM 496 C LYS B 30 -6.602 5.745 -4.343 1.00 0.00 C ATOM 497 O LYS B 30 -6.029 4.679 -4.455 1.00 0.00 O ATOM 498 CB LYS B 30 -9.028 5.361 -3.785 1.00 0.00 C ATOM 499 CG LYS B 30 -9.899 4.948 -2.589 1.00 0.00 C ATOM 500 CD LYS B 30 -10.294 6.187 -1.781 1.00 0.00 C ATOM 501 CE LYS B 30 -11.125 5.761 -0.570 1.00 0.00 C ATOM 502 NZ LYS B 30 -10.292 4.904 0.322 1.00 0.00 N ATOM 0 H LYS B 30 -8.799 7.784 -3.203 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.426 5.479 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -9.561 6.088 -4.398 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -8.831 4.495 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.793 4.431 -2.940 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -9.354 4.248 -1.955 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -9.402 6.721 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -10.866 6.874 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -11.474 6.639 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.010 5.215 -0.896 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -10.395 5.224 1.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -10.606 3.915 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -9.294 4.974 0.037 1.00 0.00 H new ATOM 516 N GLU B 31 -6.321 6.758 -5.112 1.00 0.00 N ATOM 517 CA GLU B 31 -5.275 6.641 -6.163 1.00 0.00 C ATOM 518 C GLU B 31 -4.008 6.013 -5.584 1.00 0.00 C ATOM 519 O GLU B 31 -3.571 4.962 -6.010 1.00 0.00 O ATOM 520 CB GLU B 31 -4.958 8.044 -6.695 1.00 0.00 C ATOM 521 CG GLU B 31 -6.048 8.484 -7.677 1.00 0.00 C ATOM 522 CD GLU B 31 -5.858 7.761 -9.011 1.00 0.00 C ATOM 523 OE1 GLU B 31 -4.770 7.844 -9.557 1.00 0.00 O ATOM 524 OE2 GLU B 31 -6.804 7.138 -9.465 1.00 0.00 O ATOM 0 H GLU B 31 -6.775 7.670 -5.057 1.00 0.00 H new ATOM 0 HA GLU B 31 -5.638 6.005 -6.970 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -4.894 8.751 -5.868 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -3.987 8.044 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -7.033 8.260 -7.267 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -6.003 9.563 -7.827 1.00 0.00 H new ATOM 531 N PHE B 32 -3.408 6.658 -4.632 1.00 0.00 N ATOM 532 CA PHE B 32 -2.153 6.116 -4.036 1.00 0.00 C ATOM 533 C PHE B 32 -2.465 4.892 -3.171 1.00 0.00 C ATOM 534 O PHE B 32 -1.672 3.979 -3.050 1.00 0.00 O ATOM 535 CB PHE B 32 -1.488 7.197 -3.166 1.00 0.00 C ATOM 536 CG PHE B 32 -0.015 6.904 -3.013 1.00 0.00 C ATOM 537 CD1 PHE B 32 0.392 5.850 -2.199 1.00 0.00 C ATOM 538 CD2 PHE B 32 0.938 7.682 -3.682 1.00 0.00 C ATOM 539 CE1 PHE B 32 1.754 5.565 -2.046 1.00 0.00 C ATOM 540 CE2 PHE B 32 2.301 7.400 -3.532 1.00 0.00 C ATOM 541 CZ PHE B 32 2.709 6.341 -2.713 1.00 0.00 C ATOM 0 H PHE B 32 -3.730 7.541 -4.236 1.00 0.00 H new ATOM 0 HA PHE B 32 -1.478 5.823 -4.840 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -1.627 8.178 -3.621 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -1.964 7.230 -2.186 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -0.345 5.251 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE B 32 0.622 8.499 -4.313 1.00 0.00 H new ATOM 0 HE1 PHE B 32 2.068 4.747 -1.414 1.00 0.00 H new ATOM 0 HE2 PHE B 32 3.037 7.999 -4.048 1.00 0.00 H new ATOM 0 HZ PHE B 32 3.760 6.123 -2.596 1.00 0.00 H new ATOM 551 N ALA B 33 -3.604 4.887 -2.553 1.00 0.00 N ATOM 552 CA ALA B 33 -3.976 3.756 -1.655 1.00 0.00 C ATOM 553 C ALA B 33 -3.591 2.397 -2.249 1.00 0.00 C ATOM 554 O ALA B 33 -2.841 1.664 -1.651 1.00 0.00 O ATOM 555 CB ALA B 33 -5.479 3.782 -1.395 1.00 0.00 C ATOM 0 H ALA B 33 -4.305 5.624 -2.629 1.00 0.00 H new ATOM 0 HA ALA B 33 -3.425 3.883 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA B 33 -5.749 2.955 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA B 33 -5.750 4.725 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA B 33 -6.013 3.685 -2.340 1.00 0.00 H new ATOM 561 N LYS B 34 -4.119 2.024 -3.387 1.00 0.00 N ATOM 562 CA LYS B 34 -3.784 0.670 -3.950 1.00 0.00 C ATOM 563 C LYS B 34 -2.490 0.687 -4.770 1.00 0.00 C ATOM 564 O LYS B 34 -1.861 -0.339 -4.932 1.00 0.00 O ATOM 565 CB LYS B 34 -4.941 0.176 -4.842 1.00 0.00 C ATOM 566 CG LYS B 34 -6.140 -0.302 -3.988 1.00 0.00 C ATOM 567 CD LYS B 34 -7.082 0.876 -3.671 1.00 0.00 C ATOM 568 CE LYS B 34 -8.084 1.078 -4.815 1.00 0.00 C ATOM 569 NZ LYS B 34 -8.866 -0.174 -5.020 1.00 0.00 N ATOM 0 H LYS B 34 -4.759 2.586 -3.948 1.00 0.00 H new ATOM 0 HA LYS B 34 -3.638 -0.004 -3.106 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -5.261 0.979 -5.506 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -4.593 -0.641 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -6.687 -1.079 -4.522 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -5.779 -0.746 -3.060 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -7.616 0.684 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -6.501 1.786 -3.523 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -8.756 1.904 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -7.557 1.344 -5.731 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -9.802 0.061 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -8.361 -0.794 -5.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -8.982 -0.664 -4.110 1.00 0.00 H new ATOM 583 N PHE B 35 -2.071 1.809 -5.290 1.00 0.00 N ATOM 584 CA PHE B 35 -0.799 1.821 -6.084 1.00 0.00 C ATOM 585 C PHE B 35 0.269 1.087 -5.267 1.00 0.00 C ATOM 586 O PHE B 35 1.272 0.624 -5.773 1.00 0.00 O ATOM 587 CB PHE B 35 -0.379 3.288 -6.327 1.00 0.00 C ATOM 588 CG PHE B 35 -0.261 3.584 -7.802 1.00 0.00 C ATOM 589 CD1 PHE B 35 0.859 3.144 -8.489 1.00 0.00 C ATOM 590 CD2 PHE B 35 -1.264 4.296 -8.469 1.00 0.00 C ATOM 591 CE1 PHE B 35 0.995 3.407 -9.857 1.00 0.00 C ATOM 592 CE2 PHE B 35 -1.137 4.563 -9.838 1.00 0.00 C ATOM 593 CZ PHE B 35 -0.006 4.117 -10.533 1.00 0.00 C ATOM 0 H PHE B 35 -2.544 2.709 -5.204 1.00 0.00 H new ATOM 0 HA PHE B 35 -0.927 1.329 -7.048 1.00 0.00 H new ATOM 0 HB2 PHE B 35 -1.111 3.958 -5.876 1.00 0.00 H new ATOM 0 HB3 PHE B 35 0.575 3.482 -5.837 1.00 0.00 H new ATOM 0 HD1 PHE B 35 1.630 2.596 -7.967 1.00 0.00 H new ATOM 0 HD2 PHE B 35 -2.134 4.639 -7.929 1.00 0.00 H new ATOM 0 HE1 PHE B 35 1.869 3.064 -10.390 1.00 0.00 H new ATOM 0 HE2 PHE B 35 -1.909 5.112 -10.356 1.00 0.00 H new ATOM 0 HZ PHE B 35 0.095 4.320 -11.589 1.00 0.00 H new ATOM 603 N GLU B 36 0.025 0.996 -3.998 1.00 0.00 N ATOM 604 CA GLU B 36 0.957 0.319 -3.074 1.00 0.00 C ATOM 605 C GLU B 36 0.856 -1.206 -3.236 1.00 0.00 C ATOM 606 O GLU B 36 1.773 -1.937 -2.915 1.00 0.00 O ATOM 607 CB GLU B 36 0.561 0.727 -1.649 1.00 0.00 C ATOM 608 CG GLU B 36 -0.658 -0.069 -1.175 1.00 0.00 C ATOM 609 CD GLU B 36 -1.240 0.586 0.081 1.00 0.00 C ATOM 610 OE1 GLU B 36 -0.625 1.513 0.580 1.00 0.00 O ATOM 611 OE2 GLU B 36 -2.291 0.150 0.519 1.00 0.00 O ATOM 0 H GLU B 36 -0.809 1.376 -3.551 1.00 0.00 H new ATOM 0 HA GLU B 36 1.986 0.608 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU B 36 1.398 0.557 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU B 36 0.338 1.794 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -1.411 -0.104 -1.962 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -0.372 -1.099 -0.962 1.00 0.00 H new ATOM 618 N GLU B 37 -0.255 -1.689 -3.725 1.00 0.00 N ATOM 619 CA GLU B 37 -0.423 -3.161 -3.902 1.00 0.00 C ATOM 620 C GLU B 37 0.144 -3.547 -5.256 1.00 0.00 C ATOM 621 O GLU B 37 0.644 -4.634 -5.459 1.00 0.00 O ATOM 622 CB GLU B 37 -1.911 -3.517 -3.849 1.00 0.00 C ATOM 623 CG GLU B 37 -2.084 -5.025 -4.038 1.00 0.00 C ATOM 624 CD GLU B 37 -3.548 -5.405 -3.799 1.00 0.00 C ATOM 625 OE1 GLU B 37 -4.025 -5.183 -2.698 1.00 0.00 O ATOM 626 OE2 GLU B 37 -4.166 -5.910 -4.721 1.00 0.00 O ATOM 0 H GLU B 37 -1.056 -1.126 -4.010 1.00 0.00 H new ATOM 0 HA GLU B 37 0.098 -3.697 -3.109 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -2.335 -3.209 -2.893 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -2.452 -2.978 -4.627 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -1.782 -5.313 -5.045 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -1.439 -5.565 -3.345 1.00 0.00 H new ATOM 633 N GLU B 38 0.059 -2.640 -6.178 1.00 0.00 N ATOM 634 CA GLU B 38 0.570 -2.882 -7.548 1.00 0.00 C ATOM 635 C GLU B 38 1.942 -3.570 -7.471 1.00 0.00 C ATOM 636 O GLU B 38 2.260 -4.432 -8.267 1.00 0.00 O ATOM 637 CB GLU B 38 0.633 -1.506 -8.263 1.00 0.00 C ATOM 638 CG GLU B 38 2.080 -1.057 -8.524 1.00 0.00 C ATOM 639 CD GLU B 38 2.077 0.339 -9.146 1.00 0.00 C ATOM 640 OE1 GLU B 38 1.075 0.699 -9.740 1.00 0.00 O ATOM 641 OE2 GLU B 38 3.076 1.026 -9.016 1.00 0.00 O ATOM 0 H GLU B 38 -0.353 -1.718 -6.036 1.00 0.00 H new ATOM 0 HA GLU B 38 -0.080 -3.547 -8.116 1.00 0.00 H new ATOM 0 HB2 GLU B 38 0.096 -1.565 -9.209 1.00 0.00 H new ATOM 0 HB3 GLU B 38 0.126 -0.758 -7.654 1.00 0.00 H new ATOM 0 HG2 GLU B 38 2.643 -1.050 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU B 38 2.576 -1.762 -9.190 1.00 0.00 H new ATOM 648 N ARG B 39 2.747 -3.204 -6.514 1.00 0.00 N ATOM 649 CA ARG B 39 4.084 -3.846 -6.385 1.00 0.00 C ATOM 650 C ARG B 39 3.890 -5.330 -6.099 1.00 0.00 C ATOM 651 O ARG B 39 4.312 -6.187 -6.850 1.00 0.00 O ATOM 652 CB ARG B 39 4.837 -3.216 -5.214 1.00 0.00 C ATOM 653 CG ARG B 39 6.290 -3.689 -5.233 1.00 0.00 C ATOM 654 CD ARG B 39 7.020 -3.152 -4.001 1.00 0.00 C ATOM 655 NE ARG B 39 8.361 -3.795 -3.899 1.00 0.00 N ATOM 656 CZ ARG B 39 9.271 -3.283 -3.117 1.00 0.00 C ATOM 657 NH1 ARG B 39 9.008 -2.207 -2.429 1.00 0.00 N ATOM 658 NH2 ARG B 39 10.443 -3.848 -3.023 1.00 0.00 N ATOM 0 H ARG B 39 2.538 -2.490 -5.817 1.00 0.00 H new ATOM 0 HA ARG B 39 4.650 -3.707 -7.306 1.00 0.00 H new ATOM 0 HB2 ARG B 39 4.796 -2.129 -5.283 1.00 0.00 H new ATOM 0 HB3 ARG B 39 4.365 -3.494 -4.272 1.00 0.00 H new ATOM 0 HG2 ARG B 39 6.328 -4.778 -5.245 1.00 0.00 H new ATOM 0 HG3 ARG B 39 6.784 -3.343 -6.141 1.00 0.00 H new ATOM 0 HD2 ARG B 39 7.128 -2.070 -4.072 1.00 0.00 H new ATOM 0 HD3 ARG B 39 6.438 -3.356 -3.102 1.00 0.00 H new ATOM 0 HE ARG B 39 8.567 -4.635 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG B 39 8.091 -1.766 -2.502 1.00 0.00 H new ATOM 0 HH12 ARG B 39 9.719 -1.806 -1.817 1.00 0.00 H new ATOM 0 HH21 ARG B 39 10.648 -4.690 -3.561 1.00 0.00 H new ATOM 0 HH22 ARG B 39 11.155 -3.448 -2.412 1.00 0.00 H new ATOM 672 N ALA B 40 3.253 -5.631 -5.007 1.00 0.00 N ATOM 673 CA ALA B 40 3.018 -7.055 -4.639 1.00 0.00 C ATOM 674 C ALA B 40 2.108 -7.722 -5.676 1.00 0.00 C ATOM 675 O ALA B 40 2.111 -8.927 -5.827 1.00 0.00 O ATOM 676 CB ALA B 40 2.351 -7.119 -3.263 1.00 0.00 C ATOM 0 H ALA B 40 2.881 -4.948 -4.347 1.00 0.00 H new ATOM 0 HA ALA B 40 3.973 -7.580 -4.612 1.00 0.00 H new ATOM 0 HB1 ALA B 40 2.178 -8.160 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA B 40 3.001 -6.653 -2.522 1.00 0.00 H new ATOM 0 HB3 ALA B 40 1.399 -6.589 -3.295 1.00 0.00 H new ATOM 682 N ARG B 41 1.322 -6.957 -6.389 1.00 0.00 N ATOM 683 CA ARG B 41 0.415 -7.570 -7.405 1.00 0.00 C ATOM 684 C ARG B 41 1.226 -7.903 -8.666 1.00 0.00 C ATOM 685 O ARG B 41 0.890 -8.804 -9.411 1.00 0.00 O ATOM 686 CB ARG B 41 -0.729 -6.574 -7.738 1.00 0.00 C ATOM 687 CG ARG B 41 -2.105 -7.237 -7.541 1.00 0.00 C ATOM 688 CD ARG B 41 -2.335 -8.303 -8.620 1.00 0.00 C ATOM 689 NE ARG B 41 -3.344 -9.287 -8.134 1.00 0.00 N ATOM 690 CZ ARG B 41 -3.921 -10.099 -8.978 1.00 0.00 C ATOM 691 NH1 ARG B 41 -3.621 -10.042 -10.246 1.00 0.00 N ATOM 692 NH2 ARG B 41 -4.798 -10.967 -8.553 1.00 0.00 N ATOM 0 H ARG B 41 1.269 -5.941 -6.313 1.00 0.00 H new ATOM 0 HA ARG B 41 -0.023 -8.488 -7.014 1.00 0.00 H new ATOM 0 HB2 ARG B 41 -0.649 -5.694 -7.099 1.00 0.00 H new ATOM 0 HB3 ARG B 41 -0.630 -6.230 -8.768 1.00 0.00 H new ATOM 0 HG2 ARG B 41 -2.160 -7.692 -6.552 1.00 0.00 H new ATOM 0 HG3 ARG B 41 -2.891 -6.483 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG B 41 -2.681 -7.835 -9.542 1.00 0.00 H new ATOM 0 HD3 ARG B 41 -1.398 -8.810 -8.852 1.00 0.00 H new ATOM 0 HE ARG B 41 -3.583 -9.326 -7.143 1.00 0.00 H new ATOM 0 HH11 ARG B 41 -2.936 -9.363 -10.578 1.00 0.00 H new ATOM 0 HH12 ARG B 41 -4.072 -10.676 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG B 41 -5.033 -11.011 -7.561 1.00 0.00 H new ATOM 0 HH22 ARG B 41 -5.249 -11.601 -9.212 1.00 0.00 H new ATOM 706 N ALA B 42 2.287 -7.186 -8.911 1.00 0.00 N ATOM 707 CA ALA B 42 3.109 -7.465 -10.122 1.00 0.00 C ATOM 708 C ALA B 42 3.537 -8.934 -10.120 1.00 0.00 C ATOM 709 O ALA B 42 3.368 -9.639 -9.145 1.00 0.00 O ATOM 710 CB ALA B 42 4.351 -6.572 -10.117 1.00 0.00 C ATOM 0 H ALA B 42 2.620 -6.420 -8.326 1.00 0.00 H new ATOM 0 HA ALA B 42 2.519 -7.258 -11.015 1.00 0.00 H new ATOM 0 HB1 ALA B 42 4.951 -6.778 -11.004 1.00 0.00 H new ATOM 0 HB2 ALA B 42 4.047 -5.525 -10.120 1.00 0.00 H new ATOM 0 HB3 ALA B 42 4.942 -6.776 -9.224 1.00 0.00 H new ATOM 716 N LYS B 43 4.091 -9.398 -11.206 1.00 0.00 N ATOM 717 CA LYS B 43 4.530 -10.818 -11.270 1.00 0.00 C ATOM 718 C LYS B 43 5.368 -11.151 -10.035 1.00 0.00 C ATOM 719 O LYS B 43 5.806 -10.275 -9.316 1.00 0.00 O ATOM 720 CB LYS B 43 5.370 -11.033 -12.532 1.00 0.00 C ATOM 721 CG LYS B 43 4.503 -10.785 -13.773 1.00 0.00 C ATOM 722 CD LYS B 43 5.398 -10.564 -14.997 1.00 0.00 C ATOM 723 CE LYS B 43 6.196 -11.835 -15.298 1.00 0.00 C ATOM 724 NZ LYS B 43 5.279 -13.010 -15.312 1.00 0.00 N ATOM 0 H LYS B 43 4.258 -8.854 -12.052 1.00 0.00 H new ATOM 0 HA LYS B 43 3.656 -11.468 -11.299 1.00 0.00 H new ATOM 0 HB2 LYS B 43 6.225 -10.357 -12.532 1.00 0.00 H new ATOM 0 HB3 LYS B 43 5.766 -12.048 -12.549 1.00 0.00 H new ATOM 0 HG2 LYS B 43 3.843 -11.636 -13.943 1.00 0.00 H new ATOM 0 HG3 LYS B 43 3.866 -9.914 -13.615 1.00 0.00 H new ATOM 0 HD2 LYS B 43 4.789 -10.294 -15.860 1.00 0.00 H new ATOM 0 HD3 LYS B 43 6.078 -9.732 -14.815 1.00 0.00 H new ATOM 0 HE2 LYS B 43 6.698 -11.742 -16.261 1.00 0.00 H new ATOM 0 HE3 LYS B 43 6.972 -11.976 -14.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 5.504 -13.616 -16.127 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 5.397 -13.553 -14.433 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 4.295 -12.682 -15.386 1.00 0.00 H new ATOM 738 N TRP B 44 5.594 -12.412 -9.779 1.00 0.00 N ATOM 739 CA TRP B 44 6.405 -12.796 -8.586 1.00 0.00 C ATOM 740 C TRP B 44 7.718 -11.999 -8.597 1.00 0.00 C ATOM 741 O TRP B 44 7.974 -11.224 -9.498 1.00 0.00 O ATOM 742 CB TRP B 44 6.695 -14.321 -8.606 1.00 0.00 C ATOM 743 CG TRP B 44 6.409 -14.887 -9.963 1.00 0.00 C ATOM 744 CD1 TRP B 44 5.480 -15.835 -10.226 1.00 0.00 C ATOM 745 CD2 TRP B 44 7.032 -14.560 -11.240 1.00 0.00 C ATOM 746 NE1 TRP B 44 5.493 -16.111 -11.581 1.00 0.00 N ATOM 747 CE2 TRP B 44 6.432 -15.351 -12.249 1.00 0.00 C ATOM 748 CE3 TRP B 44 8.049 -13.665 -11.617 1.00 0.00 C ATOM 749 CZ2 TRP B 44 6.825 -15.254 -13.584 1.00 0.00 C ATOM 750 CZ3 TRP B 44 8.447 -13.566 -12.961 1.00 0.00 C ATOM 751 CH2 TRP B 44 7.837 -14.359 -13.941 1.00 0.00 C ATOM 0 H TRP B 44 5.253 -13.191 -10.342 1.00 0.00 H new ATOM 0 HA TRP B 44 5.851 -12.567 -7.676 1.00 0.00 H new ATOM 0 HB2 TRP B 44 7.736 -14.504 -8.340 1.00 0.00 H new ATOM 0 HB3 TRP B 44 6.082 -14.824 -7.858 1.00 0.00 H new ATOM 0 HD1 TRP B 44 4.834 -16.300 -9.497 1.00 0.00 H new ATOM 0 HE1 TRP B 44 4.883 -16.793 -12.032 1.00 0.00 H new ATOM 0 HE3 TRP B 44 8.527 -13.050 -10.869 1.00 0.00 H new ATOM 0 HZ2 TRP B 44 6.350 -15.866 -14.336 1.00 0.00 H new ATOM 0 HZ3 TRP B 44 9.228 -12.874 -13.240 1.00 0.00 H new ATOM 0 HH2 TRP B 44 8.149 -14.279 -14.972 1.00 0.00 H new ATOM 762 N ASP B 45 8.544 -12.187 -7.597 1.00 0.00 N ATOM 763 CA ASP B 45 9.847 -11.451 -7.524 1.00 0.00 C ATOM 764 C ASP B 45 11.000 -12.451 -7.624 1.00 0.00 C ATOM 765 O ASP B 45 12.068 -12.137 -8.109 1.00 0.00 O ATOM 766 CB ASP B 45 9.937 -10.715 -6.184 1.00 0.00 C ATOM 767 CG ASP B 45 11.169 -9.809 -6.182 1.00 0.00 C ATOM 768 OD1 ASP B 45 11.061 -8.694 -6.664 1.00 0.00 O ATOM 769 OD2 ASP B 45 12.200 -10.247 -5.697 1.00 0.00 O ATOM 0 H ASP B 45 8.370 -12.825 -6.820 1.00 0.00 H new ATOM 0 HA ASP B 45 9.908 -10.735 -8.344 1.00 0.00 H new ATOM 0 HB2 ASP B 45 9.037 -10.123 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP B 45 9.999 -11.433 -5.366 1.00 0.00 H new ATOM 774 N THR B 46 10.791 -13.656 -7.166 1.00 0.00 N ATOM 775 CA THR B 46 11.874 -14.679 -7.233 1.00 0.00 C ATOM 776 C THR B 46 12.468 -14.704 -8.643 1.00 0.00 C ATOM 777 O THR B 46 11.788 -14.984 -9.609 1.00 0.00 O ATOM 778 CB THR B 46 11.293 -16.056 -6.902 1.00 0.00 C ATOM 779 OG1 THR B 46 10.334 -16.414 -7.887 1.00 0.00 O ATOM 780 CG2 THR B 46 10.624 -16.012 -5.526 1.00 0.00 C ATOM 0 H THR B 46 9.917 -13.976 -6.748 1.00 0.00 H new ATOM 0 HA THR B 46 12.655 -14.429 -6.515 1.00 0.00 H new ATOM 0 HB THR B 46 12.094 -16.795 -6.890 1.00 0.00 H new ATOM 0 HG1 THR B 46 10.448 -15.845 -8.677 1.00 0.00 H new ATOM 0 HG21 THR B 46 10.211 -16.993 -5.291 1.00 0.00 H new ATOM 0 HG22 THR B 46 11.362 -15.739 -4.771 1.00 0.00 H new ATOM 0 HG23 THR B 46 9.823 -15.273 -5.534 1.00 0.00 H new ATOM 788 N ALA B 47 13.735 -14.415 -8.767 1.00 0.00 N ATOM 789 CA ALA B 47 14.371 -14.425 -10.115 1.00 0.00 C ATOM 790 C ALA B 47 15.892 -14.491 -9.962 1.00 0.00 C ATOM 791 O ALA B 47 16.608 -14.768 -10.903 1.00 0.00 O ATOM 792 CB ALA B 47 13.987 -13.150 -10.869 1.00 0.00 C ATOM 0 H ALA B 47 14.356 -14.173 -7.995 1.00 0.00 H new ATOM 0 HA ALA B 47 14.026 -15.295 -10.674 1.00 0.00 H new ATOM 0 HB1 ALA B 47 14.452 -13.156 -11.855 1.00 0.00 H new ATOM 0 HB2 ALA B 47 12.903 -13.105 -10.979 1.00 0.00 H new ATOM 0 HB3 ALA B 47 14.332 -12.279 -10.311 1.00 0.00 H new ATOM 798 N ASN B 48 16.392 -14.240 -8.781 1.00 0.00 N ATOM 799 CA ASN B 48 17.867 -14.293 -8.573 1.00 0.00 C ATOM 800 C ASN B 48 18.182 -14.107 -7.086 1.00 0.00 C ATOM 801 O ASN B 48 17.404 -13.543 -6.342 1.00 0.00 O ATOM 802 CB ASN B 48 18.536 -13.178 -9.380 1.00 0.00 C ATOM 803 CG ASN B 48 17.820 -11.852 -9.118 1.00 0.00 C ATOM 804 OD1 ASN B 48 17.609 -11.476 -7.983 1.00 0.00 O ATOM 805 ND2 ASN B 48 17.434 -11.123 -10.129 1.00 0.00 N ATOM 0 H ASN B 48 15.844 -14.001 -7.954 1.00 0.00 H new ATOM 0 HA ASN B 48 18.245 -15.260 -8.905 1.00 0.00 H new ATOM 0 HB2 ASN B 48 19.587 -13.096 -9.103 1.00 0.00 H new ATOM 0 HB3 ASN B 48 18.504 -13.416 -10.443 1.00 0.00 H new ATOM 0 HD21 ASN B 48 16.955 -10.237 -9.966 1.00 0.00 H new ATOM 0 HD22 ASN B 48 17.611 -11.439 -11.083 1.00 0.00 H new ATOM 812 N ASN B 49 19.316 -14.581 -6.647 1.00 0.00 N ATOM 813 CA ASN B 49 19.681 -14.433 -5.209 1.00 0.00 C ATOM 814 C ASN B 49 21.200 -14.594 -5.041 1.00 0.00 C ATOM 815 O ASN B 49 21.647 -15.559 -4.452 1.00 0.00 O ATOM 816 CB ASN B 49 18.968 -15.514 -4.394 1.00 0.00 C ATOM 817 CG ASN B 49 19.157 -16.871 -5.072 1.00 0.00 C ATOM 818 OD1 ASN B 49 19.664 -16.948 -6.174 1.00 0.00 O ATOM 819 ND2 ASN B 49 18.767 -17.954 -4.456 1.00 0.00 N ATOM 0 H ASN B 49 20.006 -15.065 -7.222 1.00 0.00 H new ATOM 0 HA ASN B 49 19.380 -13.446 -4.859 1.00 0.00 H new ATOM 0 HB2 ASN B 49 19.368 -15.543 -3.380 1.00 0.00 H new ATOM 0 HB3 ASN B 49 17.906 -15.281 -4.312 1.00 0.00 H new ATOM 0 HD21 ASN B 49 18.888 -18.865 -4.900 1.00 0.00 H new ATOM 0 HD22 ASN B 49 18.342 -17.890 -3.531 1.00 0.00 H new ATOM 826 N PRO B 50 21.958 -13.651 -5.562 1.00 0.00 N ATOM 827 CA PRO B 50 23.429 -13.705 -5.464 1.00 0.00 C ATOM 828 C PRO B 50 23.857 -13.653 -3.989 1.00 0.00 C ATOM 829 O PRO B 50 23.625 -12.681 -3.299 1.00 0.00 O ATOM 830 CB PRO B 50 23.928 -12.464 -6.245 1.00 0.00 C ATOM 831 CG PRO B 50 22.672 -11.699 -6.760 1.00 0.00 C ATOM 832 CD PRO B 50 21.423 -12.474 -6.281 1.00 0.00 C ATOM 0 HA PRO B 50 23.847 -14.624 -5.874 1.00 0.00 H new ATOM 0 HB2 PRO B 50 24.530 -11.823 -5.602 1.00 0.00 H new ATOM 0 HB3 PRO B 50 24.562 -12.765 -7.079 1.00 0.00 H new ATOM 0 HG2 PRO B 50 22.661 -10.679 -6.375 1.00 0.00 H new ATOM 0 HG3 PRO B 50 22.685 -11.629 -7.848 1.00 0.00 H new ATOM 0 HD2 PRO B 50 20.804 -11.860 -5.627 1.00 0.00 H new ATOM 0 HD3 PRO B 50 20.798 -12.775 -7.122 1.00 0.00 H new ATOM 840 N LEU B 51 24.479 -14.693 -3.506 1.00 0.00 N ATOM 841 CA LEU B 51 24.922 -14.703 -2.083 1.00 0.00 C ATOM 842 C LEU B 51 23.742 -14.318 -1.187 1.00 0.00 C ATOM 843 O LEU B 51 22.636 -14.122 -1.651 1.00 0.00 O ATOM 844 CB LEU B 51 26.059 -13.692 -1.891 1.00 0.00 C ATOM 845 CG LEU B 51 27.378 -14.250 -2.455 1.00 0.00 C ATOM 846 CD1 LEU B 51 27.882 -15.433 -1.604 1.00 0.00 C ATOM 847 CD2 LEU B 51 27.164 -14.706 -3.904 1.00 0.00 C ATOM 0 H LEU B 51 24.700 -15.537 -4.035 1.00 0.00 H new ATOM 0 HA LEU B 51 25.277 -15.699 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU B 51 25.810 -12.756 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU B 51 26.177 -13.465 -0.831 1.00 0.00 H new ATOM 0 HG LEU B 51 28.130 -13.462 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU B 51 28.815 -15.810 -2.022 1.00 0.00 H new ATOM 0 HD12 LEU B 51 28.052 -15.099 -0.581 1.00 0.00 H new ATOM 0 HD13 LEU B 51 27.136 -16.227 -1.607 1.00 0.00 H new ATOM 0 HD21 LEU B 51 28.098 -15.101 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU B 51 26.400 -15.483 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU B 51 26.841 -13.858 -4.508 1.00 0.00 H new ATOM 859 N TYR B 52 23.969 -14.208 0.094 1.00 0.00 N ATOM 860 CA TYR B 52 22.860 -13.834 1.016 1.00 0.00 C ATOM 861 C TYR B 52 21.653 -14.737 0.752 1.00 0.00 C ATOM 862 O TYR B 52 20.541 -14.274 0.597 1.00 0.00 O ATOM 863 CB TYR B 52 22.470 -12.373 0.775 1.00 0.00 C ATOM 864 CG TYR B 52 21.578 -11.895 1.898 1.00 0.00 C ATOM 865 CD1 TYR B 52 22.121 -11.658 3.167 1.00 0.00 C ATOM 866 CD2 TYR B 52 20.211 -11.687 1.671 1.00 0.00 C ATOM 867 CE1 TYR B 52 21.296 -11.214 4.209 1.00 0.00 C ATOM 868 CE2 TYR B 52 19.388 -11.244 2.713 1.00 0.00 C ATOM 869 CZ TYR B 52 19.931 -11.007 3.982 1.00 0.00 C ATOM 870 OH TYR B 52 19.119 -10.570 5.008 1.00 0.00 O ATOM 0 H TYR B 52 24.873 -14.361 0.541 1.00 0.00 H new ATOM 0 HA TYR B 52 23.186 -13.957 2.049 1.00 0.00 H new ATOM 0 HB2 TYR B 52 23.364 -11.752 0.718 1.00 0.00 H new ATOM 0 HB3 TYR B 52 21.953 -12.277 -0.180 1.00 0.00 H new ATOM 0 HD1 TYR B 52 23.175 -11.817 3.342 1.00 0.00 H new ATOM 0 HD2 TYR B 52 19.792 -11.868 0.692 1.00 0.00 H new ATOM 0 HE1 TYR B 52 21.714 -11.031 5.188 1.00 0.00 H new ATOM 0 HE2 TYR B 52 18.334 -11.085 2.538 1.00 0.00 H new ATOM 0 HH TYR B 52 18.200 -10.477 4.681 1.00 0.00 H new ATOM 880 N LYS B 53 21.865 -16.024 0.699 1.00 0.00 N ATOM 881 CA LYS B 53 20.731 -16.957 0.446 1.00 0.00 C ATOM 882 C LYS B 53 19.750 -16.893 1.620 1.00 0.00 C ATOM 883 O LYS B 53 19.323 -15.829 2.025 1.00 0.00 O ATOM 884 CB LYS B 53 21.272 -18.386 0.293 1.00 0.00 C ATOM 885 CG LYS B 53 20.239 -19.257 -0.429 1.00 0.00 C ATOM 886 CD LYS B 53 20.671 -20.723 -0.363 1.00 0.00 C ATOM 887 CE LYS B 53 19.550 -21.612 -0.903 1.00 0.00 C ATOM 888 NZ LYS B 53 18.421 -21.631 0.068 1.00 0.00 N ATOM 0 H LYS B 53 22.775 -16.469 0.820 1.00 0.00 H new ATOM 0 HA LYS B 53 20.214 -16.670 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS B 53 22.206 -18.373 -0.268 1.00 0.00 H new ATOM 0 HB3 LYS B 53 21.495 -18.807 1.273 1.00 0.00 H new ATOM 0 HG2 LYS B 53 19.259 -19.135 0.032 1.00 0.00 H new ATOM 0 HG3 LYS B 53 20.144 -18.941 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS B 53 21.580 -20.872 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS B 53 20.904 -20.998 0.666 1.00 0.00 H new ATOM 0 HE2 LYS B 53 19.208 -21.238 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS B 53 19.920 -22.624 -1.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 17.834 -22.473 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 18.797 -21.657 1.037 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 17.842 -20.776 -0.056 1.00 0.00 H new ATOM 902 N GLU B 54 19.388 -18.018 2.172 1.00 0.00 N ATOM 903 CA GLU B 54 18.437 -18.012 3.319 1.00 0.00 C ATOM 904 C GLU B 54 18.485 -19.366 4.034 1.00 0.00 C ATOM 905 O GLU B 54 17.612 -20.195 3.872 1.00 0.00 O ATOM 906 CB GLU B 54 17.017 -17.753 2.803 1.00 0.00 C ATOM 907 CG GLU B 54 16.778 -18.562 1.524 1.00 0.00 C ATOM 908 CD GLU B 54 15.275 -18.646 1.242 1.00 0.00 C ATOM 909 OE1 GLU B 54 14.543 -19.007 2.148 1.00 0.00 O ATOM 910 OE2 GLU B 54 14.884 -18.349 0.126 1.00 0.00 O ATOM 0 H GLU B 54 19.709 -18.941 1.879 1.00 0.00 H new ATOM 0 HA GLU B 54 18.718 -17.225 4.019 1.00 0.00 H new ATOM 0 HB2 GLU B 54 16.287 -18.031 3.563 1.00 0.00 H new ATOM 0 HB3 GLU B 54 16.880 -16.690 2.604 1.00 0.00 H new ATOM 0 HG2 GLU B 54 17.290 -18.093 0.684 1.00 0.00 H new ATOM 0 HG3 GLU B 54 17.194 -19.564 1.632 1.00 0.00 H new ATOM 917 N ALA B 55 19.498 -19.596 4.826 1.00 0.00 N ATOM 918 CA ALA B 55 19.597 -20.896 5.551 1.00 0.00 C ATOM 919 C ALA B 55 20.519 -20.737 6.761 1.00 0.00 C ATOM 920 O ALA B 55 20.548 -21.571 7.644 1.00 0.00 O ATOM 921 CB ALA B 55 20.166 -21.961 4.612 1.00 0.00 C ATOM 0 H ALA B 55 20.260 -18.941 5.002 1.00 0.00 H new ATOM 0 HA ALA B 55 18.606 -21.200 5.888 1.00 0.00 H new ATOM 0 HB1 ALA B 55 20.239 -22.911 5.141 1.00 0.00 H new ATOM 0 HB2 ALA B 55 19.509 -22.075 3.750 1.00 0.00 H new ATOM 0 HB3 ALA B 55 21.157 -21.657 4.275 1.00 0.00 H new ATOM 927 N THR B 56 21.274 -19.674 6.809 1.00 0.00 N ATOM 928 CA THR B 56 22.193 -19.466 7.964 1.00 0.00 C ATOM 929 C THR B 56 21.397 -18.936 9.159 1.00 0.00 C ATOM 930 O THR B 56 21.485 -19.455 10.254 1.00 0.00 O ATOM 931 CB THR B 56 23.271 -18.451 7.579 1.00 0.00 C ATOM 932 OG1 THR B 56 22.671 -17.179 7.377 1.00 0.00 O ATOM 933 CG2 THR B 56 23.963 -18.903 6.294 1.00 0.00 C ATOM 0 H THR B 56 21.295 -18.941 6.100 1.00 0.00 H new ATOM 0 HA THR B 56 22.663 -20.413 8.231 1.00 0.00 H new ATOM 0 HB THR B 56 24.008 -18.381 8.379 1.00 0.00 H new ATOM 0 HG1 THR B 56 23.361 -16.527 7.132 1.00 0.00 H new ATOM 0 HG21 THR B 56 24.731 -18.179 6.020 1.00 0.00 H new ATOM 0 HG22 THR B 56 24.423 -19.878 6.452 1.00 0.00 H new ATOM 0 HG23 THR B 56 23.229 -18.974 5.491 1.00 0.00 H new ATOM 941 N SER B 57 20.623 -17.906 8.956 1.00 0.00 N ATOM 942 CA SER B 57 19.822 -17.340 10.079 1.00 0.00 C ATOM 943 C SER B 57 20.765 -16.725 11.118 1.00 0.00 C ATOM 944 O SER B 57 20.721 -15.540 11.382 1.00 0.00 O ATOM 945 CB SER B 57 18.993 -18.454 10.730 1.00 0.00 C ATOM 946 OG SER B 57 19.737 -19.039 11.791 1.00 0.00 O ATOM 0 H SER B 57 20.510 -17.431 8.060 1.00 0.00 H new ATOM 0 HA SER B 57 19.152 -16.569 9.697 1.00 0.00 H new ATOM 0 HB2 SER B 57 18.055 -18.050 11.109 1.00 0.00 H new ATOM 0 HB3 SER B 57 18.737 -19.212 9.990 1.00 0.00 H new ATOM 0 HG SER B 57 20.360 -19.702 11.427 1.00 0.00 H new ATOM 952 N THR B 58 21.618 -17.519 11.707 1.00 0.00 N ATOM 953 CA THR B 58 22.563 -16.980 12.729 1.00 0.00 C ATOM 954 C THR B 58 23.822 -16.452 12.037 1.00 0.00 C ATOM 955 O THR B 58 24.715 -17.201 11.693 1.00 0.00 O ATOM 956 CB THR B 58 22.945 -18.095 13.707 1.00 0.00 C ATOM 957 OG1 THR B 58 23.294 -19.264 12.979 1.00 0.00 O ATOM 958 CG2 THR B 58 21.759 -18.396 14.624 1.00 0.00 C ATOM 0 H THR B 58 21.702 -18.519 11.525 1.00 0.00 H new ATOM 0 HA THR B 58 22.083 -16.167 13.274 1.00 0.00 H new ATOM 0 HB THR B 58 23.796 -17.777 14.309 1.00 0.00 H new ATOM 0 HG1 THR B 58 23.899 -19.025 12.246 1.00 0.00 H new ATOM 0 HG21 THR B 58 22.030 -19.190 15.320 1.00 0.00 H new ATOM 0 HG22 THR B 58 21.494 -17.498 15.182 1.00 0.00 H new ATOM 0 HG23 THR B 58 20.907 -18.715 14.024 1.00 0.00 H new ATOM 966 N PHE B 59 23.898 -15.166 11.832 1.00 0.00 N ATOM 967 CA PHE B 59 25.097 -14.581 11.164 1.00 0.00 C ATOM 968 C PHE B 59 26.360 -14.981 11.942 1.00 0.00 C ATOM 969 O PHE B 59 27.434 -15.084 11.385 1.00 0.00 O ATOM 970 CB PHE B 59 24.959 -13.043 11.108 1.00 0.00 C ATOM 971 CG PHE B 59 24.063 -12.567 12.233 1.00 0.00 C ATOM 972 CD1 PHE B 59 24.576 -12.433 13.527 1.00 0.00 C ATOM 973 CD2 PHE B 59 22.719 -12.265 11.977 1.00 0.00 C ATOM 974 CE1 PHE B 59 23.747 -11.996 14.567 1.00 0.00 C ATOM 975 CE2 PHE B 59 21.889 -11.828 13.017 1.00 0.00 C ATOM 976 CZ PHE B 59 22.403 -11.694 14.313 1.00 0.00 C ATOM 0 H PHE B 59 23.180 -14.492 12.099 1.00 0.00 H new ATOM 0 HA PHE B 59 25.176 -14.961 10.146 1.00 0.00 H new ATOM 0 HB2 PHE B 59 25.941 -12.577 11.191 1.00 0.00 H new ATOM 0 HB3 PHE B 59 24.543 -12.741 10.147 1.00 0.00 H new ATOM 0 HD1 PHE B 59 25.612 -12.667 13.724 1.00 0.00 H new ATOM 0 HD2 PHE B 59 22.323 -12.369 10.978 1.00 0.00 H new ATOM 0 HE1 PHE B 59 24.144 -11.892 15.566 1.00 0.00 H new ATOM 0 HE2 PHE B 59 20.853 -11.594 12.820 1.00 0.00 H new ATOM 0 HZ PHE B 59 21.764 -11.358 15.116 1.00 0.00 H new ATOM 986 N THR B 60 26.239 -15.214 13.223 1.00 0.00 N ATOM 987 CA THR B 60 27.432 -15.614 14.029 1.00 0.00 C ATOM 988 C THR B 60 26.976 -16.408 15.254 1.00 0.00 C ATOM 989 O THR B 60 25.845 -16.847 15.336 1.00 0.00 O ATOM 990 CB THR B 60 28.196 -14.368 14.492 1.00 0.00 C ATOM 991 OG1 THR B 60 27.300 -13.476 15.139 1.00 0.00 O ATOM 992 CG2 THR B 60 28.835 -13.670 13.290 1.00 0.00 C ATOM 0 H THR B 60 25.366 -15.145 13.746 1.00 0.00 H new ATOM 0 HA THR B 60 28.087 -16.229 13.412 1.00 0.00 H new ATOM 0 HB THR B 60 28.980 -14.667 15.188 1.00 0.00 H new ATOM 0 HG1 THR B 60 27.788 -12.680 15.436 1.00 0.00 H new ATOM 0 HG21 THR B 60 29.376 -12.786 13.628 1.00 0.00 H new ATOM 0 HG22 THR B 60 29.528 -14.353 12.798 1.00 0.00 H new ATOM 0 HG23 THR B 60 28.058 -13.373 12.586 1.00 0.00 H new ATOM 1000 N ASN B 61 27.847 -16.595 16.208 1.00 0.00 N ATOM 1001 CA ASN B 61 27.468 -17.360 17.430 1.00 0.00 C ATOM 1002 C ASN B 61 28.408 -16.982 18.576 1.00 0.00 C ATOM 1003 O ASN B 61 28.255 -15.953 19.204 1.00 0.00 O ATOM 1004 CB ASN B 61 27.585 -18.861 17.151 1.00 0.00 C ATOM 1005 CG ASN B 61 26.433 -19.303 16.249 1.00 0.00 C ATOM 1006 OD1 ASN B 61 25.284 -19.250 16.640 1.00 0.00 O ATOM 1007 ND2 ASN B 61 26.692 -19.742 15.046 1.00 0.00 N ATOM 0 H ASN B 61 28.807 -16.250 16.194 1.00 0.00 H new ATOM 0 HA ASN B 61 26.441 -17.121 17.705 1.00 0.00 H new ATOM 0 HB2 ASN B 61 28.540 -19.079 16.673 1.00 0.00 H new ATOM 0 HB3 ASN B 61 27.562 -19.419 18.087 1.00 0.00 H new ATOM 0 HD21 ASN B 61 25.930 -20.040 14.437 1.00 0.00 H new ATOM 0 HD22 ASN B 61 27.656 -19.787 14.716 1.00 0.00 H new ATOM 1014 N ILE B 62 29.383 -17.804 18.851 1.00 0.00 N ATOM 1015 CA ILE B 62 30.335 -17.491 19.954 1.00 0.00 C ATOM 1016 C ILE B 62 31.376 -16.484 19.458 1.00 0.00 C ATOM 1017 O ILE B 62 32.554 -16.609 19.729 1.00 0.00 O ATOM 1018 CB ILE B 62 31.037 -18.778 20.402 1.00 0.00 C ATOM 1019 CG1 ILE B 62 30.017 -19.918 20.466 1.00 0.00 C ATOM 1020 CG2 ILE B 62 31.655 -18.576 21.788 1.00 0.00 C ATOM 1021 CD1 ILE B 62 30.691 -21.176 21.013 1.00 0.00 C ATOM 0 H ILE B 62 29.562 -18.680 18.359 1.00 0.00 H new ATOM 0 HA ILE B 62 29.791 -17.064 20.796 1.00 0.00 H new ATOM 0 HB ILE B 62 31.823 -19.025 19.688 1.00 0.00 H new ATOM 0 HG12 ILE B 62 29.179 -19.635 21.103 1.00 0.00 H new ATOM 0 HG13 ILE B 62 29.611 -20.113 19.473 1.00 0.00 H new ATOM 0 HG21 ILE B 62 32.153 -19.494 22.102 1.00 0.00 H new ATOM 0 HG22 ILE B 62 32.382 -17.765 21.748 1.00 0.00 H new ATOM 0 HG23 ILE B 62 30.871 -18.326 22.503 1.00 0.00 H new ATOM 0 HD11 ILE B 62 29.965 -21.987 21.058 1.00 0.00 H new ATOM 0 HD12 ILE B 62 31.514 -21.462 20.358 1.00 0.00 H new ATOM 0 HD13 ILE B 62 31.076 -20.977 22.013 1.00 0.00 H new ATOM 1033 N THR B 63 30.952 -15.486 18.730 1.00 0.00 N ATOM 1034 CA THR B 63 31.916 -14.471 18.214 1.00 0.00 C ATOM 1035 C THR B 63 33.134 -15.178 17.610 1.00 0.00 C ATOM 1036 O THR B 63 33.132 -15.563 16.457 1.00 0.00 O ATOM 1037 CB THR B 63 32.370 -13.569 19.365 1.00 0.00 C ATOM 1038 OG1 THR B 63 32.782 -14.373 20.461 1.00 0.00 O ATOM 1039 CG2 THR B 63 31.212 -12.668 19.796 1.00 0.00 C ATOM 0 H THR B 63 29.978 -15.329 18.470 1.00 0.00 H new ATOM 0 HA THR B 63 31.430 -13.868 17.447 1.00 0.00 H new ATOM 0 HB THR B 63 33.205 -12.950 19.035 1.00 0.00 H new ATOM 0 HG1 THR B 63 33.074 -13.797 21.198 1.00 0.00 H new ATOM 0 HG21 THR B 63 31.536 -12.026 20.615 1.00 0.00 H new ATOM 0 HG22 THR B 63 30.898 -12.051 18.954 1.00 0.00 H new ATOM 0 HG23 THR B 63 30.375 -13.284 20.126 1.00 0.00 H new ATOM 1047 N TYR B 64 34.171 -15.352 18.381 1.00 0.00 N ATOM 1048 CA TYR B 64 35.387 -16.034 17.855 1.00 0.00 C ATOM 1049 C TYR B 64 35.879 -15.309 16.601 1.00 0.00 C ATOM 1050 O TYR B 64 35.331 -15.462 15.527 1.00 0.00 O ATOM 1051 CB TYR B 64 35.045 -17.484 17.503 1.00 0.00 C ATOM 1052 CG TYR B 64 36.319 -18.271 17.302 1.00 0.00 C ATOM 1053 CD1 TYR B 64 37.031 -18.745 18.411 1.00 0.00 C ATOM 1054 CD2 TYR B 64 36.789 -18.527 16.008 1.00 0.00 C ATOM 1055 CE1 TYR B 64 38.211 -19.475 18.226 1.00 0.00 C ATOM 1056 CE2 TYR B 64 37.969 -19.257 15.823 1.00 0.00 C ATOM 1057 CZ TYR B 64 38.680 -19.731 16.932 1.00 0.00 C ATOM 1058 OH TYR B 64 39.843 -20.452 16.750 1.00 0.00 O ATOM 0 H TYR B 64 34.229 -15.051 19.354 1.00 0.00 H new ATOM 0 HA TYR B 64 36.169 -16.017 18.614 1.00 0.00 H new ATOM 0 HB2 TYR B 64 34.451 -17.932 18.300 1.00 0.00 H new ATOM 0 HB3 TYR B 64 34.439 -17.516 16.597 1.00 0.00 H new ATOM 0 HD1 TYR B 64 36.670 -18.547 19.409 1.00 0.00 H new ATOM 0 HD2 TYR B 64 36.241 -18.161 15.152 1.00 0.00 H new ATOM 0 HE1 TYR B 64 38.760 -19.841 19.081 1.00 0.00 H new ATOM 0 HE2 TYR B 64 38.331 -19.455 14.825 1.00 0.00 H new ATOM 0 HH TYR B 64 40.026 -20.541 15.791 1.00 0.00 H new ATOM 1068 N ARG B 65 36.910 -14.520 16.726 1.00 0.00 N ATOM 1069 CA ARG B 65 37.436 -13.789 15.539 1.00 0.00 C ATOM 1070 C ARG B 65 38.216 -14.760 14.651 1.00 0.00 C ATOM 1071 O ARG B 65 37.790 -15.101 13.566 1.00 0.00 O ATOM 1072 CB ARG B 65 38.363 -12.663 16.001 1.00 0.00 C ATOM 1073 CG ARG B 65 37.707 -11.902 17.154 1.00 0.00 C ATOM 1074 CD ARG B 65 38.605 -10.737 17.571 1.00 0.00 C ATOM 1075 NE ARG B 65 39.838 -11.266 18.217 1.00 0.00 N ATOM 1076 CZ ARG B 65 40.873 -10.490 18.382 1.00 0.00 C ATOM 1077 NH1 ARG B 65 40.827 -9.249 17.979 1.00 0.00 N ATOM 1078 NH2 ARG B 65 41.954 -10.952 18.949 1.00 0.00 N ATOM 0 H ARG B 65 37.411 -14.350 17.598 1.00 0.00 H new ATOM 0 HA ARG B 65 36.605 -13.365 14.975 1.00 0.00 H new ATOM 0 HB2 ARG B 65 39.320 -13.074 16.321 1.00 0.00 H new ATOM 0 HB3 ARG B 65 38.568 -11.984 15.173 1.00 0.00 H new ATOM 0 HG2 ARG B 65 36.729 -11.530 16.849 1.00 0.00 H new ATOM 0 HG3 ARG B 65 37.544 -12.571 17.999 1.00 0.00 H new ATOM 0 HD2 ARG B 65 38.867 -10.136 16.700 1.00 0.00 H new ATOM 0 HD3 ARG B 65 38.072 -10.082 18.261 1.00 0.00 H new ATOM 0 HE ARG B 65 39.873 -12.236 18.531 1.00 0.00 H new ATOM 0 HH11 ARG B 65 39.982 -8.888 17.536 1.00 0.00 H new ATOM 0 HH12 ARG B 65 41.636 -8.641 18.107 1.00 0.00 H new ATOM 0 HH21 ARG B 65 41.990 -11.922 19.264 1.00 0.00 H new ATOM 0 HH22 ARG B 65 42.763 -10.344 19.077 1.00 0.00 H new ATOM 1092 N GLY B 66 39.356 -15.207 15.103 1.00 0.00 N ATOM 1093 CA GLY B 66 40.161 -16.156 14.284 1.00 0.00 C ATOM 1094 C GLY B 66 40.928 -15.382 13.211 1.00 0.00 C ATOM 1095 O GLY B 66 40.353 -14.655 12.425 1.00 0.00 O ATOM 0 H GLY B 66 39.764 -14.956 16.003 1.00 0.00 H new ATOM 0 HA2 GLY B 66 40.857 -16.702 14.921 1.00 0.00 H new ATOM 0 HA3 GLY B 66 39.509 -16.894 13.818 1.00 0.00 H new ATOM 1099 N THR B 67 42.224 -15.532 13.171 1.00 0.00 N ATOM 1100 CA THR B 67 43.028 -14.805 12.148 1.00 0.00 C ATOM 1101 C THR B 67 44.401 -15.466 12.017 1.00 0.00 C ATOM 1102 O THR B 67 44.903 -15.527 10.906 1.00 0.00 O ATOM 1103 CB THR B 67 43.202 -13.345 12.577 1.00 0.00 C ATOM 1104 OG1 THR B 67 41.954 -12.834 13.025 1.00 0.00 O ATOM 1105 CG2 THR B 67 43.698 -12.518 11.390 1.00 0.00 C ATOM 1106 OXT THR B 67 44.928 -15.898 13.028 1.00 0.00 O ATOM 0 H THR B 67 42.761 -16.127 13.803 1.00 0.00 H new ATOM 0 HA THR B 67 42.514 -14.841 11.188 1.00 0.00 H new ATOM 0 HB THR B 67 43.931 -13.287 13.386 1.00 0.00 H new ATOM 0 HG1 THR B 67 41.236 -13.172 12.449 1.00 0.00 H new ATOM 0 HG21 THR B 67 43.821 -11.479 11.696 1.00 0.00 H new ATOM 0 HG22 THR B 67 44.655 -12.911 11.047 1.00 0.00 H new ATOM 0 HG23 THR B 67 42.972 -12.573 10.579 1.00 0.00 H new TER 1114 THR B 67